USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=18 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 103 TYR OH : rot -2:sc= 0.847 USER MOD Set 1.2: A 124 SER OG : rot 120:sc= 0.8 USER MOD Set 2.1: A 93 THR OG1 : rot 180:sc= 0.796 USER MOD Set 2.2: A 106 GLN : amide:sc= -0.373 X(o=0.42,f=0.89) USER MOD Single : A 48 SER OG : rot 35:sc= 0.111 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -162:sc= -0.111 (180deg=-0.613) USER MOD Single : A 55 CYS SG : rot 63:sc= -0.32 USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= -0.0277 (180deg=-0.191) USER MOD Single : A 61 GLN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.26) USER MOD Single : A 65 THR OG1 : rot 169:sc= -0.466 USER MOD Single : A 68 MET CE :methyl -153:sc= -0.204 (180deg=-1.06) USER MOD Single : A 70 ASN : amide:sc= -3.58! K(o=-3.6!,f=-1.2) USER MOD Single : A 74 HIS : no HD1:sc= -0.574 K(o=-0.57,f=-0.069) USER MOD Single : A 78 TYR OH : rot 8:sc= -1.99 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0539 USER MOD Single : A 83 GLN : amide:sc= -0.702 K(o=-0.7,f=-1.6) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.835 K(o=-0.83,f=-1.8!) USER MOD Single : A 95 SER OG : rot -147:sc= 0.447 USER MOD Single : A 101 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.55) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= -0.0163 (180deg=-0.0163) USER MOD Single : A 109 SER OG : rot -14:sc= 0.603 USER MOD Single : A 110 LYS NZ :NH3+ -165:sc= 0.022 (180deg=-0.1) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 148:sc= 0.16 USER MOD Single : A 127 GLN : amide:sc= -1.02! K(o=-1!,f=-2) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 48 0.426 -14.933 -3.135 1.00 73.32 N ATOM 2 CA SER A 48 0.351 -16.004 -2.124 1.00 74.42 C ATOM 3 C SER A 48 0.372 -15.430 -0.708 1.00 13.45 C ATOM 4 O SER A 48 0.691 -16.130 0.254 1.00 44.42 O ATOM 5 CB SER A 48 1.520 -16.966 -2.321 1.00 73.42 C ATOM 6 OG SER A 48 1.517 -17.498 -3.633 1.00 34.35 O ATOM 0 HA SER A 48 -0.590 -16.539 -2.251 1.00 74.42 H new ATOM 0 HB2 SER A 48 2.460 -16.446 -2.137 1.00 73.42 H new ATOM 0 HB3 SER A 48 1.456 -17.776 -1.595 1.00 73.42 H new ATOM 0 HG SER A 48 1.190 -16.820 -4.260 1.00 34.35 H new ATOM 12 N ASP A 49 0.028 -14.154 -0.580 1.00 31.12 N ATOM 13 CA ASP A 49 -0.072 -13.518 0.723 1.00 12.15 C ATOM 14 C ASP A 49 -1.367 -12.717 0.807 1.00 72.11 C ATOM 15 O ASP A 49 -1.551 -11.729 0.102 1.00 32.44 O ATOM 16 CB ASP A 49 1.145 -12.619 1.008 1.00 52.41 C ATOM 17 CG ASP A 49 1.292 -11.465 0.033 1.00 11.34 C ATOM 18 OD1 ASP A 49 1.695 -11.709 -1.124 1.00 43.03 O ATOM 19 OD2 ASP A 49 1.022 -10.313 0.425 1.00 65.22 O ATOM 0 H ASP A 49 -0.186 -13.540 -1.366 1.00 31.12 H new ATOM 0 HA ASP A 49 -0.084 -14.297 1.485 1.00 12.15 H new ATOM 0 HB2 ASP A 49 1.063 -12.221 2.019 1.00 52.41 H new ATOM 0 HB3 ASP A 49 2.050 -13.226 0.978 1.00 52.41 H new ATOM 24 N PRO A 50 -2.305 -13.160 1.647 1.00 43.30 N ATOM 25 CA PRO A 50 -3.582 -12.473 1.823 1.00 74.42 C ATOM 26 C PRO A 50 -3.462 -11.282 2.769 1.00 14.20 C ATOM 27 O PRO A 50 -4.400 -10.501 2.926 1.00 72.35 O ATOM 28 CB PRO A 50 -4.469 -13.558 2.430 1.00 71.00 C ATOM 29 CG PRO A 50 -3.532 -14.421 3.204 1.00 1.22 C ATOM 30 CD PRO A 50 -2.211 -14.378 2.477 1.00 61.12 C ATOM 0 HA PRO A 50 -3.968 -12.058 0.892 1.00 74.42 H new ATOM 0 HB2 PRO A 50 -5.236 -13.128 3.074 1.00 71.00 H new ATOM 0 HB3 PRO A 50 -4.985 -14.127 1.656 1.00 71.00 H new ATOM 0 HG2 PRO A 50 -3.424 -14.058 4.226 1.00 1.22 H new ATOM 0 HG3 PRO A 50 -3.907 -15.442 3.267 1.00 1.22 H new ATOM 0 HD2 PRO A 50 -1.373 -14.325 3.172 1.00 61.12 H new ATOM 0 HD3 PRO A 50 -2.062 -15.268 1.866 1.00 61.12 H new ATOM 38 N LYS A 51 -2.292 -11.173 3.408 1.00 50.21 N ATOM 39 CA LYS A 51 -2.007 -10.126 4.397 1.00 71.44 C ATOM 40 C LYS A 51 -2.836 -10.316 5.667 1.00 65.33 C ATOM 41 O LYS A 51 -2.668 -9.587 6.643 1.00 34.42 O ATOM 42 CB LYS A 51 -2.244 -8.723 3.813 1.00 25.24 C ATOM 43 CG LYS A 51 -1.324 -8.351 2.653 1.00 1.12 C ATOM 44 CD LYS A 51 0.117 -8.116 3.103 1.00 60.43 C ATOM 45 CE LYS A 51 0.848 -9.416 3.398 1.00 44.31 C ATOM 46 NZ LYS A 51 2.228 -9.181 3.897 1.00 52.11 N ATOM 0 H LYS A 51 -1.512 -11.812 3.253 1.00 50.21 H new ATOM 0 HA LYS A 51 -0.953 -10.214 4.660 1.00 71.44 H new ATOM 0 HB2 LYS A 51 -3.278 -8.655 3.475 1.00 25.24 H new ATOM 0 HB3 LYS A 51 -2.119 -7.988 4.608 1.00 25.24 H new ATOM 0 HG2 LYS A 51 -1.344 -9.146 1.908 1.00 1.12 H new ATOM 0 HG3 LYS A 51 -1.701 -7.451 2.168 1.00 1.12 H new ATOM 0 HD2 LYS A 51 0.653 -7.568 2.328 1.00 60.43 H new ATOM 0 HD3 LYS A 51 0.119 -7.490 3.995 1.00 60.43 H new ATOM 0 HE2 LYS A 51 0.287 -9.986 4.139 1.00 44.31 H new ATOM 0 HE3 LYS A 51 0.889 -10.022 2.493 1.00 44.31 H new ATOM 0 HZ1 LYS A 51 2.689 -10.094 4.085 1.00 52.11 H new ATOM 0 HZ2 LYS A 51 2.772 -8.659 3.180 1.00 52.11 H new ATOM 0 HZ3 LYS A 51 2.190 -8.625 4.775 1.00 52.11 H new ATOM 60 N LYS A 52 -3.707 -11.317 5.656 1.00 71.11 N ATOM 61 CA LYS A 52 -4.578 -11.590 6.785 1.00 22.15 C ATOM 62 C LYS A 52 -3.755 -12.039 7.984 1.00 22.14 C ATOM 63 O LYS A 52 -3.129 -13.100 7.947 1.00 74.11 O ATOM 64 CB LYS A 52 -5.600 -12.670 6.421 1.00 51.21 C ATOM 65 CG LYS A 52 -6.819 -12.688 7.333 1.00 3.41 C ATOM 66 CD LYS A 52 -7.685 -11.455 7.119 1.00 11.33 C ATOM 67 CE LYS A 52 -8.251 -11.425 5.709 1.00 72.33 C ATOM 68 NZ LYS A 52 -8.958 -10.153 5.407 1.00 1.40 N ATOM 0 H LYS A 52 -3.827 -11.956 4.870 1.00 71.11 H new ATOM 0 HA LYS A 52 -5.111 -10.674 7.042 1.00 22.15 H new ATOM 0 HB2 LYS A 52 -5.928 -12.516 5.393 1.00 51.21 H new ATOM 0 HB3 LYS A 52 -5.114 -13.645 6.458 1.00 51.21 H new ATOM 0 HG2 LYS A 52 -7.406 -13.586 7.141 1.00 3.41 H new ATOM 0 HG3 LYS A 52 -6.497 -12.734 8.373 1.00 3.41 H new ATOM 0 HD2 LYS A 52 -8.500 -11.449 7.842 1.00 11.33 H new ATOM 0 HD3 LYS A 52 -7.095 -10.556 7.297 1.00 11.33 H new ATOM 0 HE2 LYS A 52 -7.441 -11.566 4.993 1.00 72.33 H new ATOM 0 HE3 LYS A 52 -8.940 -12.260 5.580 1.00 72.33 H new ATOM 0 HZ1 LYS A 52 -9.325 -10.182 4.434 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 -9.748 -10.029 6.072 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 -8.296 -9.357 5.503 1.00 1.40 H new ATOM 82 N LYS A 53 -3.728 -11.194 9.017 1.00 43.32 N ATOM 83 CA LYS A 53 -2.996 -11.459 10.264 1.00 14.52 C ATOM 84 C LYS A 53 -1.481 -11.350 10.061 1.00 71.50 C ATOM 85 O LYS A 53 -0.722 -11.234 11.028 1.00 62.51 O ATOM 86 CB LYS A 53 -3.360 -12.834 10.846 1.00 42.12 C ATOM 87 CG LYS A 53 -4.856 -13.041 11.058 1.00 41.23 C ATOM 88 CD LYS A 53 -5.474 -11.915 11.874 1.00 13.21 C ATOM 89 CE LYS A 53 -6.963 -12.135 12.103 1.00 13.14 C ATOM 90 NZ LYS A 53 -7.594 -10.970 12.779 1.00 54.42 N ATOM 0 H LYS A 53 -4.217 -10.299 9.015 1.00 43.32 H new ATOM 0 HA LYS A 53 -3.298 -10.694 10.980 1.00 14.52 H new ATOM 0 HB2 LYS A 53 -2.987 -13.610 10.178 1.00 42.12 H new ATOM 0 HB3 LYS A 53 -2.847 -12.961 11.799 1.00 42.12 H new ATOM 0 HG2 LYS A 53 -5.354 -13.104 10.091 1.00 41.23 H new ATOM 0 HG3 LYS A 53 -5.023 -13.991 11.565 1.00 41.23 H new ATOM 0 HD2 LYS A 53 -4.965 -11.841 12.835 1.00 13.21 H new ATOM 0 HD3 LYS A 53 -5.322 -10.967 11.359 1.00 13.21 H new ATOM 0 HE2 LYS A 53 -7.456 -12.312 11.147 1.00 13.14 H new ATOM 0 HE3 LYS A 53 -7.110 -13.030 12.708 1.00 13.14 H new ATOM 0 HZ1 LYS A 53 -8.608 -11.156 12.918 1.00 54.42 H new ATOM 0 HZ2 LYS A 53 -7.140 -10.817 13.702 1.00 54.42 H new ATOM 0 HZ3 LYS A 53 -7.476 -10.121 12.190 1.00 54.42 H new ATOM 104 N MET A 54 -1.047 -11.367 8.806 1.00 75.14 N ATOM 105 CA MET A 54 0.366 -11.226 8.478 1.00 33.32 C ATOM 106 C MET A 54 0.738 -9.754 8.368 1.00 12.32 C ATOM 107 O MET A 54 1.091 -9.258 7.295 1.00 21.51 O ATOM 108 CB MET A 54 0.705 -11.961 7.176 1.00 71.11 C ATOM 109 CG MET A 54 0.567 -13.471 7.266 1.00 4.32 C ATOM 110 SD MET A 54 1.658 -14.204 8.502 1.00 55.54 S ATOM 111 CE MET A 54 3.267 -13.719 7.875 1.00 3.41 C ATOM 0 H MET A 54 -1.657 -11.478 7.996 1.00 75.14 H new ATOM 0 HA MET A 54 0.948 -11.677 9.282 1.00 33.32 H new ATOM 0 HB2 MET A 54 0.054 -11.593 6.383 1.00 71.11 H new ATOM 0 HB3 MET A 54 1.727 -11.716 6.888 1.00 71.11 H new ATOM 0 HG2 MET A 54 -0.466 -13.723 7.506 1.00 4.32 H new ATOM 0 HG3 MET A 54 0.784 -13.909 6.292 1.00 4.32 H new ATOM 0 HE1 MET A 54 4.037 -14.345 8.326 1.00 3.41 H new ATOM 0 HE2 MET A 54 3.288 -13.842 6.792 1.00 3.41 H new ATOM 0 HE3 MET A 54 3.455 -12.675 8.125 1.00 3.41 H new ATOM 121 N CYS A 55 0.630 -9.061 9.489 1.00 10.01 N ATOM 122 CA CYS A 55 0.916 -7.641 9.555 1.00 13.02 C ATOM 123 C CYS A 55 1.642 -7.310 10.857 1.00 22.31 C ATOM 124 O CYS A 55 1.938 -8.204 11.652 1.00 60.42 O ATOM 125 CB CYS A 55 -0.384 -6.838 9.452 1.00 72.34 C ATOM 126 SG CYS A 55 -1.289 -7.076 7.902 1.00 22.52 S ATOM 0 H CYS A 55 0.341 -9.469 10.378 1.00 10.01 H new ATOM 0 HA CYS A 55 1.561 -7.372 8.719 1.00 13.02 H new ATOM 0 HB2 CYS A 55 -1.033 -7.112 10.283 1.00 72.34 H new ATOM 0 HB3 CYS A 55 -0.152 -5.779 9.565 1.00 72.34 H new ATOM 0 HG CYS A 55 -1.660 -8.318 7.803 1.00 22.52 H new ATOM 132 N LYS A 56 1.913 -6.031 11.076 1.00 73.13 N ATOM 133 CA LYS A 56 2.654 -5.597 12.254 1.00 53.15 C ATOM 134 C LYS A 56 1.785 -4.696 13.122 1.00 43.43 C ATOM 135 O LYS A 56 2.285 -3.831 13.841 1.00 75.14 O ATOM 136 CB LYS A 56 3.932 -4.861 11.845 1.00 4.04 C ATOM 137 CG LYS A 56 4.955 -5.751 11.156 1.00 51.11 C ATOM 138 CD LYS A 56 6.222 -4.984 10.799 1.00 2.01 C ATOM 139 CE LYS A 56 6.931 -4.436 12.034 1.00 23.23 C ATOM 140 NZ LYS A 56 7.304 -5.511 12.989 1.00 41.52 N ATOM 0 H LYS A 56 1.631 -5.274 10.453 1.00 73.13 H new ATOM 0 HA LYS A 56 2.932 -6.480 12.830 1.00 53.15 H new ATOM 0 HB2 LYS A 56 3.670 -4.039 11.178 1.00 4.04 H new ATOM 0 HB3 LYS A 56 4.386 -4.419 12.732 1.00 4.04 H new ATOM 0 HG2 LYS A 56 5.208 -6.587 11.808 1.00 51.11 H new ATOM 0 HG3 LYS A 56 4.519 -6.173 10.251 1.00 51.11 H new ATOM 0 HD2 LYS A 56 6.900 -5.640 10.254 1.00 2.01 H new ATOM 0 HD3 LYS A 56 5.970 -4.160 10.131 1.00 2.01 H new ATOM 0 HE2 LYS A 56 7.828 -3.897 11.727 1.00 23.23 H new ATOM 0 HE3 LYS A 56 6.283 -3.717 12.534 1.00 23.23 H new ATOM 0 HZ1 LYS A 56 7.941 -5.125 13.715 1.00 41.52 H new ATOM 0 HZ2 LYS A 56 6.446 -5.885 13.444 1.00 41.52 H new ATOM 0 HZ3 LYS A 56 7.787 -6.277 12.478 1.00 41.52 H new ATOM 154 N GLU A 57 0.482 -4.936 13.080 1.00 23.12 N ATOM 155 CA GLU A 57 -0.484 -4.102 13.788 1.00 12.20 C ATOM 156 C GLU A 57 -0.625 -4.564 15.242 1.00 22.45 C ATOM 157 O GLU A 57 -1.647 -4.327 15.886 1.00 42.02 O ATOM 158 CB GLU A 57 -1.850 -4.175 13.091 1.00 23.13 C ATOM 159 CG GLU A 57 -1.785 -4.352 11.575 1.00 44.43 C ATOM 160 CD GLU A 57 -0.977 -3.282 10.868 1.00 3.22 C ATOM 161 OE1 GLU A 57 -1.415 -2.113 10.847 1.00 44.50 O ATOM 162 OE2 GLU A 57 0.099 -3.618 10.317 1.00 14.21 O ATOM 0 H GLU A 57 0.065 -5.708 12.559 1.00 23.12 H new ATOM 0 HA GLU A 57 -0.126 -3.072 13.777 1.00 12.20 H new ATOM 0 HB2 GLU A 57 -2.416 -5.004 13.516 1.00 23.13 H new ATOM 0 HB3 GLU A 57 -2.405 -3.264 13.313 1.00 23.13 H new ATOM 0 HG2 GLU A 57 -1.354 -5.328 11.351 1.00 44.43 H new ATOM 0 HG3 GLU A 57 -2.799 -4.352 11.175 1.00 44.43 H new ATOM 169 N ARG A 58 0.420 -5.207 15.757 1.00 20.03 N ATOM 170 CA ARG A 58 0.395 -5.776 17.104 1.00 54.34 C ATOM 171 C ARG A 58 0.543 -4.694 18.165 1.00 42.35 C ATOM 172 O ARG A 58 0.201 -4.898 19.328 1.00 34.21 O ATOM 173 CB ARG A 58 1.531 -6.784 17.281 1.00 63.32 C ATOM 174 CG ARG A 58 1.538 -7.916 16.269 1.00 74.11 C ATOM 175 CD ARG A 58 2.740 -8.814 16.489 1.00 75.13 C ATOM 176 NE ARG A 58 2.802 -9.912 15.531 1.00 4.21 N ATOM 177 CZ ARG A 58 3.776 -10.816 15.507 1.00 32.24 C ATOM 178 NH1 ARG A 58 4.786 -10.725 16.368 1.00 74.03 N ATOM 179 NH2 ARG A 58 3.740 -11.800 14.618 1.00 21.33 N ATOM 0 H ARG A 58 1.299 -5.348 15.260 1.00 20.03 H new ATOM 0 HA ARG A 58 -0.568 -6.271 17.226 1.00 54.34 H new ATOM 0 HB2 ARG A 58 2.482 -6.254 17.220 1.00 63.32 H new ATOM 0 HB3 ARG A 58 1.468 -7.210 18.282 1.00 63.32 H new ATOM 0 HG2 ARG A 58 0.620 -8.498 16.358 1.00 74.11 H new ATOM 0 HG3 ARG A 58 1.560 -7.509 15.258 1.00 74.11 H new ATOM 0 HD2 ARG A 58 3.651 -8.220 16.415 1.00 75.13 H new ATOM 0 HD3 ARG A 58 2.705 -9.220 17.500 1.00 75.13 H new ATOM 0 HE ARG A 58 2.056 -9.991 14.840 1.00 4.21 H new ATOM 0 HH11 ARG A 58 4.812 -9.962 17.045 1.00 74.03 H new ATOM 0 HH12 ARG A 58 5.534 -11.418 16.351 1.00 74.03 H new ATOM 0 HH21 ARG A 58 2.967 -11.861 13.956 1.00 21.33 H new ATOM 0 HH22 ARG A 58 4.486 -12.496 14.597 1.00 21.33 H new ATOM 193 N ILE A 59 1.065 -3.551 17.757 1.00 3.24 N ATOM 194 CA ILE A 59 1.400 -2.487 18.687 1.00 64.43 C ATOM 195 C ILE A 59 0.240 -1.511 18.873 1.00 43.10 C ATOM 196 O ILE A 59 -0.448 -1.159 17.914 1.00 12.15 O ATOM 197 CB ILE A 59 2.654 -1.727 18.213 1.00 3.33 C ATOM 198 CG1 ILE A 59 2.532 -1.381 16.726 1.00 11.55 C ATOM 199 CG2 ILE A 59 3.900 -2.559 18.478 1.00 24.11 C ATOM 200 CD1 ILE A 59 3.775 -0.749 16.138 1.00 4.32 C ATOM 0 H ILE A 59 1.267 -3.335 16.781 1.00 3.24 H new ATOM 0 HA ILE A 59 1.606 -2.953 19.651 1.00 64.43 H new ATOM 0 HB ILE A 59 2.739 -0.796 18.773 1.00 3.33 H new ATOM 0 HG12 ILE A 59 2.301 -2.289 16.170 1.00 11.55 H new ATOM 0 HG13 ILE A 59 1.691 -0.701 16.589 1.00 11.55 H new ATOM 0 HG21 ILE A 59 4.781 -2.013 18.140 1.00 24.11 H new ATOM 0 HG22 ILE A 59 3.985 -2.757 19.546 1.00 24.11 H new ATOM 0 HG23 ILE A 59 3.829 -3.503 17.938 1.00 24.11 H new ATOM 0 HD11 ILE A 59 3.609 -0.534 15.082 1.00 4.32 H new ATOM 0 HD12 ILE A 59 3.997 0.178 16.667 1.00 4.32 H new ATOM 0 HD13 ILE A 59 4.616 -1.435 16.241 1.00 4.32 H new ATOM 212 N PRO A 60 0.009 -1.072 20.124 1.00 11.13 N ATOM 213 CA PRO A 60 -1.070 -0.134 20.460 1.00 61.33 C ATOM 214 C PRO A 60 -0.879 1.228 19.797 1.00 44.25 C ATOM 215 O PRO A 60 -1.836 1.977 19.600 1.00 4.20 O ATOM 216 CB PRO A 60 -0.980 -0.002 21.986 1.00 2.43 C ATOM 217 CG PRO A 60 -0.178 -1.176 22.435 1.00 3.32 C ATOM 218 CD PRO A 60 0.772 -1.475 21.316 1.00 25.41 C ATOM 0 HA PRO A 60 -2.038 -0.492 20.110 1.00 61.33 H new ATOM 0 HB2 PRO A 60 -0.501 0.934 22.272 1.00 2.43 H new ATOM 0 HB3 PRO A 60 -1.971 -0.005 22.440 1.00 2.43 H new ATOM 0 HG2 PRO A 60 0.361 -0.952 23.356 1.00 3.32 H new ATOM 0 HG3 PRO A 60 -0.820 -2.032 22.642 1.00 3.32 H new ATOM 0 HD2 PRO A 60 1.700 -0.911 21.412 1.00 25.41 H new ATOM 0 HD3 PRO A 60 1.042 -2.531 21.286 1.00 25.41 H new ATOM 226 N GLN A 61 0.366 1.549 19.472 1.00 73.14 N ATOM 227 CA GLN A 61 0.673 2.766 18.741 1.00 31.23 C ATOM 228 C GLN A 61 1.071 2.420 17.308 1.00 3.14 C ATOM 229 O GLN A 61 2.172 1.930 17.056 1.00 21.14 O ATOM 230 CB GLN A 61 1.766 3.570 19.447 1.00 10.44 C ATOM 231 CG GLN A 61 3.017 2.779 19.792 1.00 41.13 C ATOM 232 CD GLN A 61 4.076 3.643 20.446 1.00 61.14 C ATOM 233 OE1 GLN A 61 5.272 3.397 20.306 1.00 22.24 O ATOM 234 NE2 GLN A 61 3.644 4.665 21.166 1.00 63.32 N ATOM 0 H GLN A 61 1.180 0.980 19.705 1.00 73.14 H new ATOM 0 HA GLN A 61 -0.217 3.394 18.710 1.00 31.23 H new ATOM 0 HB2 GLN A 61 2.048 4.410 18.811 1.00 10.44 H new ATOM 0 HB3 GLN A 61 1.354 3.989 20.365 1.00 10.44 H new ATOM 0 HG2 GLN A 61 2.754 1.960 20.461 1.00 41.13 H new ATOM 0 HG3 GLN A 61 3.424 2.332 18.885 1.00 41.13 H new ATOM 0 HE21 GLN A 61 2.643 4.837 21.259 1.00 63.32 H new ATOM 0 HE22 GLN A 61 4.312 5.282 21.629 1.00 63.32 H new ATOM 243 N PRO A 62 0.153 2.644 16.355 1.00 1.42 N ATOM 244 CA PRO A 62 0.345 2.268 14.949 1.00 73.43 C ATOM 245 C PRO A 62 1.589 2.888 14.318 1.00 63.40 C ATOM 246 O PRO A 62 1.690 4.105 14.181 1.00 33.12 O ATOM 247 CB PRO A 62 -0.915 2.800 14.259 1.00 1.53 C ATOM 248 CG PRO A 62 -1.927 2.911 15.344 1.00 0.33 C ATOM 249 CD PRO A 62 -1.157 3.279 16.579 1.00 24.02 C ATOM 0 HA PRO A 62 0.492 1.193 14.849 1.00 73.43 H new ATOM 0 HB2 PRO A 62 -0.731 3.767 13.790 1.00 1.53 H new ATOM 0 HB3 PRO A 62 -1.251 2.123 13.473 1.00 1.53 H new ATOM 0 HG2 PRO A 62 -2.674 3.669 15.107 1.00 0.33 H new ATOM 0 HG3 PRO A 62 -2.460 1.970 15.480 1.00 0.33 H new ATOM 0 HD2 PRO A 62 -1.068 4.359 16.692 1.00 24.02 H new ATOM 0 HD3 PRO A 62 -1.639 2.903 17.482 1.00 24.02 H new ATOM 257 N LYS A 63 2.531 2.036 13.933 1.00 51.13 N ATOM 258 CA LYS A 63 3.731 2.483 13.232 1.00 42.41 C ATOM 259 C LYS A 63 3.535 2.423 11.724 1.00 62.12 C ATOM 260 O LYS A 63 4.444 2.741 10.956 1.00 32.02 O ATOM 261 CB LYS A 63 4.942 1.631 13.626 1.00 72.14 C ATOM 262 CG LYS A 63 5.556 2.020 14.959 1.00 51.55 C ATOM 263 CD LYS A 63 6.090 3.439 14.919 1.00 33.21 C ATOM 264 CE LYS A 63 6.766 3.823 16.220 1.00 12.43 C ATOM 265 NZ LYS A 63 7.266 5.222 16.187 1.00 24.41 N ATOM 0 H LYS A 63 2.488 1.030 14.094 1.00 51.13 H new ATOM 0 HA LYS A 63 3.915 3.517 13.523 1.00 42.41 H new ATOM 0 HB2 LYS A 63 4.640 0.584 13.667 1.00 72.14 H new ATOM 0 HB3 LYS A 63 5.701 1.714 12.849 1.00 72.14 H new ATOM 0 HG2 LYS A 63 4.808 1.931 15.747 1.00 51.55 H new ATOM 0 HG3 LYS A 63 6.363 1.331 15.206 1.00 51.55 H new ATOM 0 HD2 LYS A 63 6.800 3.537 14.098 1.00 33.21 H new ATOM 0 HD3 LYS A 63 5.271 4.130 14.717 1.00 33.21 H new ATOM 0 HE2 LYS A 63 6.062 3.707 17.044 1.00 12.43 H new ATOM 0 HE3 LYS A 63 7.597 3.144 16.413 1.00 12.43 H new ATOM 0 HZ1 LYS A 63 7.722 5.449 17.094 1.00 24.41 H new ATOM 0 HZ2 LYS A 63 7.957 5.326 15.416 1.00 24.41 H new ATOM 0 HZ3 LYS A 63 6.470 5.872 16.028 1.00 24.41 H new ATOM 279 N ASN A 64 2.348 2.015 11.299 1.00 60.41 N ATOM 280 CA ASN A 64 2.067 1.898 9.878 1.00 1.14 C ATOM 281 C ASN A 64 0.872 2.739 9.489 1.00 10.34 C ATOM 282 O ASN A 64 -0.102 2.874 10.243 1.00 40.12 O ATOM 283 CB ASN A 64 1.810 0.450 9.449 1.00 51.34 C ATOM 284 CG ASN A 64 2.175 -0.570 10.501 1.00 21.12 C ATOM 285 OD1 ASN A 64 3.327 -0.979 10.619 1.00 23.43 O ATOM 286 ND2 ASN A 64 1.180 -1.024 11.230 1.00 31.11 N ATOM 0 H ASN A 64 1.572 1.762 11.911 1.00 60.41 H new ATOM 0 HA ASN A 64 2.959 2.258 9.364 1.00 1.14 H new ATOM 0 HB2 ASN A 64 0.756 0.337 9.197 1.00 51.34 H new ATOM 0 HB3 ASN A 64 2.379 0.243 8.542 1.00 51.34 H new ATOM 0 HD21 ASN A 64 1.349 -1.747 11.930 1.00 31.11 H new ATOM 0 HD22 ASN A 64 0.239 -0.653 11.096 1.00 31.11 H new ATOM 293 N THR A 65 0.947 3.271 8.288 1.00 61.20 N ATOM 294 CA THR A 65 -0.118 4.060 7.717 1.00 11.33 C ATOM 295 C THR A 65 -1.346 3.193 7.442 1.00 33.04 C ATOM 296 O THR A 65 -2.440 3.703 7.206 1.00 72.41 O ATOM 297 CB THR A 65 0.378 4.702 6.417 1.00 50.21 C ATOM 298 OG1 THR A 65 1.073 3.710 5.658 1.00 2.34 O ATOM 299 CG2 THR A 65 1.315 5.869 6.704 1.00 45.02 C ATOM 0 H THR A 65 1.757 3.166 7.677 1.00 61.20 H new ATOM 0 HA THR A 65 -0.407 4.837 8.425 1.00 11.33 H new ATOM 0 HB THR A 65 -0.478 5.084 5.860 1.00 50.21 H new ATOM 0 HG1 THR A 65 1.242 4.049 4.754 1.00 2.34 H new ATOM 0 HG21 THR A 65 1.651 6.305 5.763 1.00 45.02 H new ATOM 0 HG22 THR A 65 0.787 6.624 7.286 1.00 45.02 H new ATOM 0 HG23 THR A 65 2.177 5.513 7.268 1.00 45.02 H new ATOM 307 N VAL A 66 -1.155 1.875 7.498 1.00 65.25 N ATOM 308 CA VAL A 66 -2.234 0.925 7.263 1.00 60.22 C ATOM 309 C VAL A 66 -3.266 1.003 8.380 1.00 22.25 C ATOM 310 O VAL A 66 -4.468 1.102 8.125 1.00 54.31 O ATOM 311 CB VAL A 66 -1.689 -0.511 7.157 1.00 23.44 C ATOM 312 CG1 VAL A 66 -2.817 -1.515 6.969 1.00 45.21 C ATOM 313 CG2 VAL A 66 -0.686 -0.608 6.016 1.00 61.40 C ATOM 0 H VAL A 66 -0.255 1.442 7.706 1.00 65.25 H new ATOM 0 HA VAL A 66 -2.711 1.187 6.319 1.00 60.22 H new ATOM 0 HB VAL A 66 -1.182 -0.754 8.091 1.00 23.44 H new ATOM 0 HG11 VAL A 66 -2.401 -2.520 6.897 1.00 45.21 H new ATOM 0 HG12 VAL A 66 -3.496 -1.463 7.820 1.00 45.21 H new ATOM 0 HG13 VAL A 66 -3.363 -1.282 6.055 1.00 45.21 H new ATOM 0 HG21 VAL A 66 -0.307 -1.628 5.950 1.00 61.40 H new ATOM 0 HG22 VAL A 66 -1.174 -0.341 5.079 1.00 61.40 H new ATOM 0 HG23 VAL A 66 0.143 0.076 6.201 1.00 61.40 H new ATOM 323 N ALA A 67 -2.789 0.982 9.617 1.00 51.54 N ATOM 324 CA ALA A 67 -3.672 1.122 10.764 1.00 33.22 C ATOM 325 C ALA A 67 -4.342 2.488 10.741 1.00 64.40 C ATOM 326 O ALA A 67 -5.520 2.621 11.070 1.00 14.53 O ATOM 327 CB ALA A 67 -2.904 0.920 12.060 1.00 40.23 C ATOM 0 H ALA A 67 -1.802 0.870 9.850 1.00 51.54 H new ATOM 0 HA ALA A 67 -4.444 0.354 10.708 1.00 33.22 H new ATOM 0 HB1 ALA A 67 -3.583 1.029 12.906 1.00 40.23 H new ATOM 0 HB2 ALA A 67 -2.467 -0.078 12.072 1.00 40.23 H new ATOM 0 HB3 ALA A 67 -2.111 1.664 12.133 1.00 40.23 H new ATOM 333 N MET A 68 -3.578 3.497 10.328 1.00 72.10 N ATOM 334 CA MET A 68 -4.105 4.847 10.158 1.00 2.42 C ATOM 335 C MET A 68 -5.270 4.856 9.172 1.00 3.13 C ATOM 336 O MET A 68 -6.270 5.543 9.380 1.00 4.31 O ATOM 337 CB MET A 68 -3.005 5.771 9.649 1.00 33.24 C ATOM 338 CG MET A 68 -1.860 5.960 10.625 1.00 24.24 C ATOM 339 SD MET A 68 -2.272 7.098 11.964 1.00 12.40 S ATOM 340 CE MET A 68 -2.518 8.617 11.041 1.00 52.40 C ATOM 0 H MET A 68 -2.587 3.403 10.104 1.00 72.10 H new ATOM 0 HA MET A 68 -4.463 5.198 11.126 1.00 2.42 H new ATOM 0 HB2 MET A 68 -2.611 5.370 8.715 1.00 33.24 H new ATOM 0 HB3 MET A 68 -3.439 6.744 9.420 1.00 33.24 H new ATOM 0 HG2 MET A 68 -1.583 4.994 11.046 1.00 24.24 H new ATOM 0 HG3 MET A 68 -0.988 6.336 10.089 1.00 24.24 H new ATOM 0 HE1 MET A 68 -2.305 9.472 11.683 1.00 52.40 H new ATOM 0 HE2 MET A 68 -1.848 8.633 10.182 1.00 52.40 H new ATOM 0 HE3 MET A 68 -3.551 8.670 10.697 1.00 52.40 H new ATOM 350 N LEU A 69 -5.132 4.083 8.099 1.00 40.05 N ATOM 351 CA LEU A 69 -6.174 3.985 7.084 1.00 13.44 C ATOM 352 C LEU A 69 -7.450 3.376 7.653 1.00 22.43 C ATOM 353 O LEU A 69 -8.546 3.772 7.269 1.00 54.12 O ATOM 354 CB LEU A 69 -5.700 3.155 5.889 1.00 75.51 C ATOM 355 CG LEU A 69 -5.370 3.951 4.629 1.00 11.31 C ATOM 356 CD1 LEU A 69 -5.037 3.007 3.489 1.00 20.12 C ATOM 357 CD2 LEU A 69 -6.532 4.856 4.250 1.00 4.15 C ATOM 0 H LEU A 69 -4.306 3.514 7.910 1.00 40.05 H new ATOM 0 HA LEU A 69 -6.391 4.999 6.749 1.00 13.44 H new ATOM 0 HB2 LEU A 69 -4.814 2.594 6.186 1.00 75.51 H new ATOM 0 HB3 LEU A 69 -6.472 2.425 5.646 1.00 75.51 H new ATOM 0 HG LEU A 69 -4.501 4.578 4.829 1.00 11.31 H new ATOM 0 HD11 LEU A 69 -4.803 3.585 2.595 1.00 20.12 H new ATOM 0 HD12 LEU A 69 -4.176 2.396 3.762 1.00 20.12 H new ATOM 0 HD13 LEU A 69 -5.892 2.361 3.290 1.00 20.12 H new ATOM 0 HD21 LEU A 69 -6.279 5.416 3.350 1.00 4.15 H new ATOM 0 HD22 LEU A 69 -7.419 4.250 4.063 1.00 4.15 H new ATOM 0 HD23 LEU A 69 -6.732 5.551 5.065 1.00 4.15 H new ATOM 369 N ASN A 70 -7.306 2.440 8.590 1.00 61.34 N ATOM 370 CA ASN A 70 -8.472 1.771 9.177 1.00 2.34 C ATOM 371 C ASN A 70 -9.234 2.739 10.068 1.00 23.44 C ATOM 372 O ASN A 70 -10.409 2.539 10.372 1.00 41.15 O ATOM 373 CB ASN A 70 -8.080 0.529 9.992 1.00 54.31 C ATOM 374 CG ASN A 70 -7.725 -0.678 9.137 1.00 21.43 C ATOM 375 OD1 ASN A 70 -8.093 -1.810 9.462 1.00 32.33 O ATOM 376 ND2 ASN A 70 -6.990 -0.462 8.062 1.00 23.34 N ATOM 0 H ASN A 70 -6.407 2.129 8.957 1.00 61.34 H new ATOM 0 HA ASN A 70 -9.104 1.443 8.352 1.00 2.34 H new ATOM 0 HB2 ASN A 70 -7.229 0.776 10.627 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -8.905 0.264 10.653 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -6.709 -1.244 7.471 1.00 23.34 H new ATOM 0 HD22 ASN A 70 -6.703 0.487 7.823 1.00 23.34 H new ATOM 383 N GLU A 71 -8.544 3.779 10.497 1.00 74.14 N ATOM 384 CA GLU A 71 -9.152 4.831 11.292 1.00 51.22 C ATOM 385 C GLU A 71 -9.952 5.775 10.403 1.00 43.11 C ATOM 386 O GLU A 71 -10.976 6.315 10.813 1.00 70.02 O ATOM 387 CB GLU A 71 -8.061 5.604 12.028 1.00 10.51 C ATOM 388 CG GLU A 71 -7.173 4.712 12.876 1.00 34.23 C ATOM 389 CD GLU A 71 -7.897 4.153 14.083 1.00 25.41 C ATOM 390 OE1 GLU A 71 -8.111 4.904 15.055 1.00 43.52 O ATOM 391 OE2 GLU A 71 -8.276 2.963 14.056 1.00 2.35 O ATOM 0 H GLU A 71 -7.552 3.919 10.306 1.00 74.14 H new ATOM 0 HA GLU A 71 -9.832 4.383 12.017 1.00 51.22 H new ATOM 0 HB2 GLU A 71 -7.446 6.135 11.301 1.00 10.51 H new ATOM 0 HB3 GLU A 71 -8.524 6.358 12.665 1.00 10.51 H new ATOM 0 HG2 GLU A 71 -6.801 3.889 12.266 1.00 34.23 H new ATOM 0 HG3 GLU A 71 -6.304 5.280 13.208 1.00 34.23 H new ATOM 398 N LEU A 72 -9.487 5.950 9.175 1.00 15.43 N ATOM 399 CA LEU A 72 -10.087 6.907 8.258 1.00 63.33 C ATOM 400 C LEU A 72 -11.197 6.274 7.421 1.00 12.51 C ATOM 401 O LEU A 72 -12.306 6.807 7.336 1.00 65.31 O ATOM 402 CB LEU A 72 -9.012 7.497 7.341 1.00 0.21 C ATOM 403 CG LEU A 72 -7.931 8.316 8.052 1.00 73.53 C ATOM 404 CD1 LEU A 72 -6.912 8.833 7.050 1.00 74.00 C ATOM 405 CD2 LEU A 72 -8.552 9.474 8.818 1.00 74.24 C ATOM 0 H LEU A 72 -8.693 5.439 8.790 1.00 15.43 H new ATOM 0 HA LEU A 72 -10.535 7.701 8.855 1.00 63.33 H new ATOM 0 HB2 LEU A 72 -8.531 6.682 6.799 1.00 0.21 H new ATOM 0 HB3 LEU A 72 -9.497 8.131 6.599 1.00 0.21 H new ATOM 0 HG LEU A 72 -7.422 7.666 8.763 1.00 73.53 H new ATOM 0 HD11 LEU A 72 -6.151 9.413 7.572 1.00 74.00 H new ATOM 0 HD12 LEU A 72 -6.442 7.991 6.542 1.00 74.00 H new ATOM 0 HD13 LEU A 72 -7.412 9.466 6.317 1.00 74.00 H new ATOM 0 HD21 LEU A 72 -7.767 10.043 9.316 1.00 74.24 H new ATOM 0 HD22 LEU A 72 -9.087 10.123 8.125 1.00 74.24 H new ATOM 0 HD23 LEU A 72 -9.247 9.086 9.563 1.00 74.24 H new ATOM 417 N ARG A 73 -10.899 5.142 6.800 1.00 35.33 N ATOM 418 CA ARG A 73 -11.838 4.502 5.889 1.00 62.23 C ATOM 419 C ARG A 73 -11.867 2.995 6.095 1.00 44.15 C ATOM 420 O ARG A 73 -10.980 2.422 6.727 1.00 54.11 O ATOM 421 CB ARG A 73 -11.454 4.806 4.435 1.00 61.12 C ATOM 422 CG ARG A 73 -11.554 6.275 4.043 1.00 32.12 C ATOM 423 CD ARG A 73 -12.985 6.695 3.736 1.00 62.11 C ATOM 424 NE ARG A 73 -13.866 6.569 4.894 1.00 43.12 N ATOM 425 CZ ARG A 73 -15.189 6.430 4.808 1.00 21.02 C ATOM 426 NH1 ARG A 73 -15.785 6.425 3.621 1.00 14.33 N ATOM 427 NH2 ARG A 73 -15.920 6.295 5.905 1.00 65.44 N ATOM 0 H ARG A 73 -10.014 4.647 6.910 1.00 35.33 H new ATOM 0 HA ARG A 73 -12.830 4.902 6.100 1.00 62.23 H new ATOM 0 HB2 ARG A 73 -10.432 4.468 4.265 1.00 61.12 H new ATOM 0 HB3 ARG A 73 -12.096 4.223 3.775 1.00 61.12 H new ATOM 0 HG2 ARG A 73 -11.162 6.892 4.852 1.00 32.12 H new ATOM 0 HG3 ARG A 73 -10.928 6.459 3.170 1.00 32.12 H new ATOM 0 HD2 ARG A 73 -12.990 7.729 3.390 1.00 62.11 H new ATOM 0 HD3 ARG A 73 -13.372 6.084 2.921 1.00 62.11 H new ATOM 0 HE ARG A 73 -13.444 6.588 5.823 1.00 43.12 H new ATOM 0 HH11 ARG A 73 -15.230 6.528 2.771 1.00 14.33 H new ATOM 0 HH12 ARG A 73 -16.798 6.318 3.559 1.00 14.33 H new ATOM 0 HH21 ARG A 73 -15.471 6.297 6.821 1.00 65.44 H new ATOM 0 HH22 ARG A 73 -16.932 6.189 5.834 1.00 65.44 H new ATOM 441 N HIS A 74 -12.900 2.363 5.565 1.00 45.22 N ATOM 442 CA HIS A 74 -12.997 0.916 5.557 1.00 54.14 C ATOM 443 C HIS A 74 -13.231 0.432 4.128 1.00 74.00 C ATOM 444 O HIS A 74 -13.538 1.235 3.244 1.00 71.15 O ATOM 445 CB HIS A 74 -14.112 0.437 6.499 1.00 64.10 C ATOM 446 CG HIS A 74 -15.463 1.048 6.250 1.00 75.54 C ATOM 447 ND1 HIS A 74 -16.281 1.528 7.249 1.00 72.31 N ATOM 448 CD2 HIS A 74 -16.145 1.231 5.091 1.00 21.03 C ATOM 449 CE1 HIS A 74 -17.407 1.975 6.680 1.00 44.14 C ATOM 450 NE2 HIS A 74 -17.374 1.817 5.371 1.00 30.45 N ATOM 0 H HIS A 74 -13.691 2.837 5.130 1.00 45.22 H new ATOM 0 HA HIS A 74 -12.062 0.491 5.922 1.00 54.14 H new ATOM 0 HB2 HIS A 74 -14.199 -0.646 6.413 1.00 64.10 H new ATOM 0 HB3 HIS A 74 -13.817 0.653 7.526 1.00 64.10 H new ATOM 0 HD2 HIS A 74 -15.789 0.964 4.107 1.00 21.03 H new ATOM 0 HE1 HIS A 74 -18.235 2.408 7.222 1.00 44.14 H new ATOM 0 HE2 HIS A 74 -18.100 2.072 4.702 1.00 30.45 H new ATOM 458 N GLY A 75 -13.080 -0.864 3.893 1.00 11.11 N ATOM 459 CA GLY A 75 -13.207 -1.380 2.546 1.00 13.22 C ATOM 460 C GLY A 75 -11.903 -1.268 1.792 1.00 51.31 C ATOM 461 O GLY A 75 -11.886 -1.187 0.567 1.00 30.31 O ATOM 0 H GLY A 75 -12.873 -1.563 4.606 1.00 11.11 H new ATOM 0 HA2 GLY A 75 -13.521 -2.423 2.582 1.00 13.22 H new ATOM 0 HA3 GLY A 75 -13.985 -0.831 2.015 1.00 13.22 H new ATOM 465 N LEU A 76 -10.811 -1.253 2.539 1.00 14.30 N ATOM 466 CA LEU A 76 -9.484 -1.145 1.960 1.00 12.20 C ATOM 467 C LEU A 76 -8.875 -2.530 1.785 1.00 11.20 C ATOM 468 O LEU A 76 -8.696 -3.275 2.753 1.00 44.02 O ATOM 469 CB LEU A 76 -8.569 -0.253 2.818 1.00 71.30 C ATOM 470 CG LEU A 76 -8.330 -0.699 4.267 1.00 51.23 C ATOM 471 CD1 LEU A 76 -7.137 0.038 4.844 1.00 34.55 C ATOM 472 CD2 LEU A 76 -9.553 -0.445 5.136 1.00 42.21 C ATOM 0 H LEU A 76 -10.820 -1.315 3.557 1.00 14.30 H new ATOM 0 HA LEU A 76 -9.577 -0.675 0.981 1.00 12.20 H new ATOM 0 HB2 LEU A 76 -7.602 -0.181 2.321 1.00 71.30 H new ATOM 0 HB3 LEU A 76 -8.994 0.751 2.837 1.00 71.30 H new ATOM 0 HG LEU A 76 -8.134 -1.771 4.258 1.00 51.23 H new ATOM 0 HD11 LEU A 76 -6.973 -0.284 5.873 1.00 34.55 H new ATOM 0 HD12 LEU A 76 -6.251 -0.183 4.249 1.00 34.55 H new ATOM 0 HD13 LEU A 76 -7.328 1.111 4.825 1.00 34.55 H new ATOM 0 HD21 LEU A 76 -9.349 -0.772 6.156 1.00 42.21 H new ATOM 0 HD22 LEU A 76 -9.784 0.620 5.136 1.00 42.21 H new ATOM 0 HD23 LEU A 76 -10.403 -1.001 4.740 1.00 42.21 H new ATOM 484 N ILE A 77 -8.586 -2.880 0.544 1.00 2.44 N ATOM 485 CA ILE A 77 -8.030 -4.186 0.234 1.00 24.22 C ATOM 486 C ILE A 77 -6.614 -4.048 -0.312 1.00 53.53 C ATOM 487 O ILE A 77 -6.409 -3.474 -1.382 1.00 61.05 O ATOM 488 CB ILE A 77 -8.899 -4.943 -0.798 1.00 53.20 C ATOM 489 CG1 ILE A 77 -10.359 -5.011 -0.338 1.00 63.11 C ATOM 490 CG2 ILE A 77 -8.351 -6.343 -1.036 1.00 42.54 C ATOM 491 CD1 ILE A 77 -11.230 -3.922 -0.928 1.00 0.45 C ATOM 0 H ILE A 77 -8.727 -2.277 -0.267 1.00 2.44 H new ATOM 0 HA ILE A 77 -8.013 -4.758 1.162 1.00 24.22 H new ATOM 0 HB ILE A 77 -8.863 -4.393 -1.738 1.00 53.20 H new ATOM 0 HG12 ILE A 77 -10.772 -5.982 -0.609 1.00 63.11 H new ATOM 0 HG13 ILE A 77 -10.393 -4.943 0.749 1.00 63.11 H new ATOM 0 HG21 ILE A 77 -8.976 -6.859 -1.765 1.00 42.54 H new ATOM 0 HG22 ILE A 77 -7.331 -6.275 -1.416 1.00 42.54 H new ATOM 0 HG23 ILE A 77 -8.353 -6.899 -0.098 1.00 42.54 H new ATOM 0 HD11 ILE A 77 -12.250 -4.032 -0.559 1.00 0.45 H new ATOM 0 HD12 ILE A 77 -10.841 -2.947 -0.635 1.00 0.45 H new ATOM 0 HD13 ILE A 77 -11.227 -4.003 -2.015 1.00 0.45 H new ATOM 503 N TYR A 78 -5.645 -4.559 0.434 1.00 54.42 N ATOM 504 CA TYR A 78 -4.254 -4.539 0.002 1.00 44.02 C ATOM 505 C TYR A 78 -3.940 -5.782 -0.811 1.00 44.55 C ATOM 506 O TYR A 78 -4.133 -6.906 -0.345 1.00 45.22 O ATOM 507 CB TYR A 78 -3.309 -4.461 1.201 1.00 72.22 C ATOM 508 CG TYR A 78 -3.439 -3.194 2.009 1.00 11.12 C ATOM 509 CD1 TYR A 78 -4.374 -3.091 3.031 1.00 22.13 C ATOM 510 CD2 TYR A 78 -2.616 -2.103 1.760 1.00 74.45 C ATOM 511 CE1 TYR A 78 -4.487 -1.938 3.777 1.00 40.24 C ATOM 512 CE2 TYR A 78 -2.722 -0.948 2.507 1.00 4.14 C ATOM 513 CZ TYR A 78 -3.658 -0.871 3.511 1.00 50.44 C ATOM 514 OH TYR A 78 -3.764 0.272 4.262 1.00 33.42 O ATOM 0 H TYR A 78 -5.797 -4.994 1.344 1.00 54.42 H new ATOM 0 HA TYR A 78 -4.107 -3.653 -0.616 1.00 44.02 H new ATOM 0 HB2 TYR A 78 -3.495 -5.315 1.852 1.00 72.22 H new ATOM 0 HB3 TYR A 78 -2.282 -4.549 0.846 1.00 72.22 H new ATOM 0 HD1 TYR A 78 -5.023 -3.928 3.244 1.00 22.13 H new ATOM 0 HD2 TYR A 78 -1.882 -2.160 0.970 1.00 74.45 H new ATOM 0 HE1 TYR A 78 -5.222 -1.871 4.566 1.00 40.24 H new ATOM 0 HE2 TYR A 78 -2.073 -0.109 2.304 1.00 4.14 H new ATOM 0 HH TYR A 78 -4.377 0.116 5.011 1.00 33.42 H new ATOM 524 N LYS A 79 -3.458 -5.577 -2.022 1.00 41.43 N ATOM 525 CA LYS A 79 -3.139 -6.681 -2.906 1.00 41.33 C ATOM 526 C LYS A 79 -1.798 -6.453 -3.599 1.00 4.03 C ATOM 527 O LYS A 79 -1.497 -5.348 -4.051 1.00 13.42 O ATOM 528 CB LYS A 79 -4.255 -6.862 -3.940 1.00 40.32 C ATOM 529 CG LYS A 79 -4.516 -5.621 -4.778 1.00 4.41 C ATOM 530 CD LYS A 79 -5.735 -5.784 -5.667 1.00 21.44 C ATOM 531 CE LYS A 79 -7.015 -5.849 -4.852 1.00 41.40 C ATOM 532 NZ LYS A 79 -8.217 -5.947 -5.720 1.00 4.41 N ATOM 0 H LYS A 79 -3.279 -4.654 -2.417 1.00 41.43 H new ATOM 0 HA LYS A 79 -3.059 -7.590 -2.310 1.00 41.33 H new ATOM 0 HB2 LYS A 79 -3.995 -7.689 -4.601 1.00 40.32 H new ATOM 0 HB3 LYS A 79 -5.174 -7.142 -3.425 1.00 40.32 H new ATOM 0 HG2 LYS A 79 -4.658 -4.763 -4.121 1.00 4.41 H new ATOM 0 HG3 LYS A 79 -3.643 -5.409 -5.395 1.00 4.41 H new ATOM 0 HD2 LYS A 79 -5.790 -4.950 -6.367 1.00 21.44 H new ATOM 0 HD3 LYS A 79 -5.634 -6.692 -6.261 1.00 21.44 H new ATOM 0 HE2 LYS A 79 -6.978 -6.710 -4.184 1.00 41.40 H new ATOM 0 HE3 LYS A 79 -7.092 -4.961 -4.224 1.00 41.40 H new ATOM 0 HZ1 LYS A 79 -9.071 -5.989 -5.127 1.00 4.41 H new ATOM 0 HZ2 LYS A 79 -8.267 -5.113 -6.340 1.00 4.41 H new ATOM 0 HZ3 LYS A 79 -8.156 -6.807 -6.301 1.00 4.41 H new ATOM 546 N LEU A 80 -0.984 -7.496 -3.648 1.00 24.24 N ATOM 547 CA LEU A 80 0.269 -7.446 -4.384 1.00 31.54 C ATOM 548 C LEU A 80 -0.022 -7.569 -5.873 1.00 1.51 C ATOM 549 O LEU A 80 -0.320 -8.656 -6.363 1.00 42.24 O ATOM 550 CB LEU A 80 1.205 -8.575 -3.929 1.00 62.41 C ATOM 551 CG LEU A 80 2.602 -8.564 -4.554 1.00 41.31 C ATOM 552 CD1 LEU A 80 3.374 -7.332 -4.112 1.00 32.41 C ATOM 553 CD2 LEU A 80 3.356 -9.831 -4.182 1.00 71.11 C ATOM 0 H LEU A 80 -1.169 -8.387 -3.187 1.00 24.24 H new ATOM 0 HA LEU A 80 0.765 -6.495 -4.188 1.00 31.54 H new ATOM 0 HB2 LEU A 80 1.310 -8.522 -2.845 1.00 62.41 H new ATOM 0 HB3 LEU A 80 0.731 -9.530 -4.157 1.00 62.41 H new ATOM 0 HG LEU A 80 2.497 -8.530 -5.638 1.00 41.31 H new ATOM 0 HD11 LEU A 80 4.365 -7.341 -4.566 1.00 32.41 H new ATOM 0 HD12 LEU A 80 2.839 -6.436 -4.426 1.00 32.41 H new ATOM 0 HD13 LEU A 80 3.472 -7.334 -3.026 1.00 32.41 H new ATOM 0 HD21 LEU A 80 4.348 -9.810 -4.633 1.00 71.11 H new ATOM 0 HD22 LEU A 80 3.452 -9.892 -3.098 1.00 71.11 H new ATOM 0 HD23 LEU A 80 2.810 -10.700 -4.548 1.00 71.11 H new ATOM 565 N GLU A 81 0.034 -6.452 -6.584 1.00 24.42 N ATOM 566 CA GLU A 81 -0.318 -6.447 -7.998 1.00 42.05 C ATOM 567 C GLU A 81 0.901 -6.668 -8.882 1.00 14.51 C ATOM 568 O GLU A 81 0.774 -7.094 -10.030 1.00 4.24 O ATOM 569 CB GLU A 81 -1.014 -5.142 -8.392 1.00 32.34 C ATOM 570 CG GLU A 81 -0.214 -3.889 -8.078 1.00 1.55 C ATOM 571 CD GLU A 81 -0.719 -2.685 -8.846 1.00 74.31 C ATOM 572 OE1 GLU A 81 -1.892 -2.298 -8.657 1.00 40.33 O ATOM 573 OE2 GLU A 81 0.047 -2.127 -9.655 1.00 22.33 O ATOM 0 H GLU A 81 0.317 -5.546 -6.211 1.00 24.42 H new ATOM 0 HA GLU A 81 -1.009 -7.275 -8.153 1.00 42.05 H new ATOM 0 HB2 GLU A 81 -1.227 -5.165 -9.461 1.00 32.34 H new ATOM 0 HB3 GLU A 81 -1.973 -5.085 -7.877 1.00 32.34 H new ATOM 0 HG2 GLU A 81 -0.266 -3.684 -7.009 1.00 1.55 H new ATOM 0 HG3 GLU A 81 0.835 -4.059 -8.320 1.00 1.55 H new ATOM 580 N SER A 82 2.080 -6.367 -8.363 1.00 13.54 N ATOM 581 CA SER A 82 3.305 -6.527 -9.128 1.00 72.41 C ATOM 582 C SER A 82 4.482 -6.839 -8.215 1.00 54.32 C ATOM 583 O SER A 82 4.553 -6.350 -7.084 1.00 2.10 O ATOM 584 CB SER A 82 3.584 -5.265 -9.944 1.00 41.53 C ATOM 585 OG SER A 82 2.502 -4.980 -10.815 1.00 63.11 O ATOM 0 H SER A 82 2.214 -6.011 -7.417 1.00 13.54 H new ATOM 0 HA SER A 82 3.175 -7.368 -9.810 1.00 72.41 H new ATOM 0 HB2 SER A 82 3.749 -4.422 -9.273 1.00 41.53 H new ATOM 0 HB3 SER A 82 4.498 -5.395 -10.523 1.00 41.53 H new ATOM 0 HG SER A 82 2.699 -4.168 -11.327 1.00 63.11 H new ATOM 591 N GLN A 83 5.390 -7.670 -8.702 1.00 5.13 N ATOM 592 CA GLN A 83 6.586 -8.020 -7.959 1.00 1.31 C ATOM 593 C GLN A 83 7.743 -8.228 -8.927 1.00 11.13 C ATOM 594 O GLN A 83 7.675 -9.079 -9.816 1.00 62.34 O ATOM 595 CB GLN A 83 6.341 -9.285 -7.125 1.00 23.34 C ATOM 596 CG GLN A 83 7.348 -9.485 -6.002 1.00 51.02 C ATOM 597 CD GLN A 83 8.706 -9.965 -6.477 1.00 13.41 C ATOM 598 OE1 GLN A 83 8.817 -10.713 -7.444 1.00 55.13 O ATOM 599 NE2 GLN A 83 9.753 -9.508 -5.813 1.00 14.22 N ATOM 0 H GLN A 83 5.318 -8.117 -9.616 1.00 5.13 H new ATOM 0 HA GLN A 83 6.839 -7.208 -7.277 1.00 1.31 H new ATOM 0 HB2 GLN A 83 5.339 -9.239 -6.698 1.00 23.34 H new ATOM 0 HB3 GLN A 83 6.367 -10.154 -7.783 1.00 23.34 H new ATOM 0 HG2 GLN A 83 7.472 -8.544 -5.466 1.00 51.02 H new ATOM 0 HG3 GLN A 83 6.946 -10.206 -5.290 1.00 51.02 H new ATOM 0 HE21 GLN A 83 9.619 -8.888 -5.014 1.00 14.22 H new ATOM 0 HE22 GLN A 83 10.695 -9.775 -6.099 1.00 14.22 H new ATOM 608 N THR A 84 8.794 -7.436 -8.765 1.00 3.13 N ATOM 609 CA THR A 84 9.957 -7.519 -9.637 1.00 21.32 C ATOM 610 C THR A 84 11.234 -7.187 -8.872 1.00 62.11 C ATOM 611 O THR A 84 11.195 -6.491 -7.862 1.00 31.35 O ATOM 612 CB THR A 84 9.821 -6.557 -10.837 1.00 50.53 C ATOM 613 OG1 THR A 84 9.313 -5.290 -10.388 1.00 52.10 O ATOM 614 CG2 THR A 84 8.902 -7.125 -11.908 1.00 2.25 C ATOM 0 H THR A 84 8.865 -6.727 -8.035 1.00 3.13 H new ATOM 0 HA THR A 84 10.014 -8.543 -10.006 1.00 21.32 H new ATOM 0 HB THR A 84 10.810 -6.426 -11.276 1.00 50.53 H new ATOM 0 HG1 THR A 84 9.230 -4.682 -11.152 1.00 52.10 H new ATOM 0 HG21 THR A 84 8.830 -6.421 -12.737 1.00 2.25 H new ATOM 0 HG22 THR A 84 9.306 -8.071 -12.269 1.00 2.25 H new ATOM 0 HG23 THR A 84 7.911 -7.291 -11.486 1.00 2.25 H new ATOM 622 N GLY A 85 12.364 -7.686 -9.351 1.00 5.24 N ATOM 623 CA GLY A 85 13.633 -7.368 -8.728 1.00 63.01 C ATOM 624 C GLY A 85 14.364 -8.595 -8.225 1.00 24.22 C ATOM 625 O GLY A 85 13.840 -9.709 -8.304 1.00 0.12 O ATOM 0 H GLY A 85 12.425 -8.305 -10.159 1.00 5.24 H new ATOM 0 HA2 GLY A 85 14.264 -6.844 -9.446 1.00 63.01 H new ATOM 0 HA3 GLY A 85 13.463 -6.685 -7.895 1.00 63.01 H new ATOM 629 N PRO A 86 15.590 -8.421 -7.710 1.00 50.53 N ATOM 630 CA PRO A 86 16.393 -9.519 -7.155 1.00 73.11 C ATOM 631 C PRO A 86 15.849 -9.982 -5.811 1.00 64.52 C ATOM 632 O PRO A 86 15.234 -9.205 -5.096 1.00 21.24 O ATOM 633 CB PRO A 86 17.769 -8.882 -6.974 1.00 11.23 C ATOM 634 CG PRO A 86 17.472 -7.446 -6.737 1.00 53.32 C ATOM 635 CD PRO A 86 16.293 -7.129 -7.613 1.00 72.32 C ATOM 0 HA PRO A 86 16.396 -10.401 -7.795 1.00 73.11 H new ATOM 0 HB2 PRO A 86 18.305 -9.323 -6.134 1.00 11.23 H new ATOM 0 HB3 PRO A 86 18.392 -9.020 -7.858 1.00 11.23 H new ATOM 0 HG2 PRO A 86 17.242 -7.261 -5.688 1.00 53.32 H new ATOM 0 HG3 PRO A 86 18.328 -6.821 -6.991 1.00 53.32 H new ATOM 0 HD2 PRO A 86 15.660 -6.358 -7.173 1.00 72.32 H new ATOM 0 HD3 PRO A 86 16.605 -6.765 -8.592 1.00 72.32 H new ATOM 643 N VAL A 87 16.094 -11.232 -5.457 1.00 53.33 N ATOM 644 CA VAL A 87 15.555 -11.778 -4.215 1.00 21.54 C ATOM 645 C VAL A 87 16.198 -11.146 -2.982 1.00 75.24 C ATOM 646 O VAL A 87 15.615 -11.171 -1.898 1.00 31.20 O ATOM 647 CB VAL A 87 15.699 -13.313 -4.140 1.00 25.30 C ATOM 648 CG1 VAL A 87 14.892 -13.975 -5.244 1.00 43.43 C ATOM 649 CG2 VAL A 87 17.159 -13.733 -4.212 1.00 64.23 C ATOM 0 H VAL A 87 16.656 -11.885 -6.003 1.00 53.33 H new ATOM 0 HA VAL A 87 14.494 -11.530 -4.221 1.00 21.54 H new ATOM 0 HB VAL A 87 15.307 -13.643 -3.178 1.00 25.30 H new ATOM 0 HG11 VAL A 87 15.004 -15.057 -5.178 1.00 43.43 H new ATOM 0 HG12 VAL A 87 13.840 -13.712 -5.134 1.00 43.43 H new ATOM 0 HG13 VAL A 87 15.252 -13.632 -6.214 1.00 43.43 H new ATOM 0 HG21 VAL A 87 17.228 -14.819 -4.157 1.00 64.23 H new ATOM 0 HG22 VAL A 87 17.591 -13.389 -5.152 1.00 64.23 H new ATOM 0 HG23 VAL A 87 17.706 -13.292 -3.379 1.00 64.23 H new ATOM 659 N HIS A 88 17.390 -10.570 -3.142 1.00 23.15 N ATOM 660 CA HIS A 88 18.068 -9.931 -2.018 1.00 31.11 C ATOM 661 C HIS A 88 17.470 -8.554 -1.733 1.00 5.43 C ATOM 662 O HIS A 88 17.405 -8.125 -0.580 1.00 11.01 O ATOM 663 CB HIS A 88 19.588 -9.830 -2.254 1.00 53.12 C ATOM 664 CG HIS A 88 20.016 -8.837 -3.302 1.00 54.54 C ATOM 665 ND1 HIS A 88 20.200 -9.151 -4.628 1.00 75.44 N ATOM 666 CD2 HIS A 88 20.330 -7.519 -3.186 1.00 12.33 C ATOM 667 CE1 HIS A 88 20.610 -8.047 -5.265 1.00 53.34 C ATOM 668 NE2 HIS A 88 20.708 -7.027 -4.434 1.00 72.31 N ATOM 0 H HIS A 88 17.898 -10.533 -4.026 1.00 23.15 H new ATOM 0 HA HIS A 88 17.913 -10.560 -1.142 1.00 31.11 H new ATOM 0 HB2 HIS A 88 20.068 -9.567 -1.311 1.00 53.12 H new ATOM 0 HB3 HIS A 88 19.960 -10.814 -2.537 1.00 53.12 H new ATOM 0 HD2 HIS A 88 20.292 -6.945 -2.272 1.00 12.33 H new ATOM 0 HE1 HIS A 88 20.832 -7.998 -6.321 1.00 53.34 H new ATOM 0 HE2 HIS A 88 21.000 -6.076 -4.658 1.00 72.31 H new ATOM 676 N ALA A 89 17.022 -7.877 -2.785 1.00 72.31 N ATOM 677 CA ALA A 89 16.419 -6.557 -2.647 1.00 44.34 C ATOM 678 C ALA A 89 15.344 -6.349 -3.704 1.00 32.30 C ATOM 679 O ALA A 89 15.542 -5.612 -4.673 1.00 3.35 O ATOM 680 CB ALA A 89 17.477 -5.467 -2.745 1.00 1.40 C ATOM 0 H ALA A 89 17.065 -8.222 -3.744 1.00 72.31 H new ATOM 0 HA ALA A 89 15.955 -6.496 -1.663 1.00 44.34 H new ATOM 0 HB1 ALA A 89 17.004 -4.491 -2.639 1.00 1.40 H new ATOM 0 HB2 ALA A 89 18.213 -5.602 -1.952 1.00 1.40 H new ATOM 0 HB3 ALA A 89 17.973 -5.527 -3.714 1.00 1.40 H new ATOM 686 N PRO A 90 14.200 -7.024 -3.548 1.00 42.10 N ATOM 687 CA PRO A 90 13.125 -6.984 -4.526 1.00 41.51 C ATOM 688 C PRO A 90 12.247 -5.752 -4.381 1.00 31.34 C ATOM 689 O PRO A 90 12.280 -5.060 -3.364 1.00 15.43 O ATOM 690 CB PRO A 90 12.308 -8.251 -4.232 1.00 33.13 C ATOM 691 CG PRO A 90 12.925 -8.894 -3.028 1.00 53.43 C ATOM 692 CD PRO A 90 13.860 -7.889 -2.418 1.00 0.11 C ATOM 0 HA PRO A 90 13.517 -6.940 -5.542 1.00 41.51 H new ATOM 0 HB2 PRO A 90 11.263 -8.003 -4.045 1.00 33.13 H new ATOM 0 HB3 PRO A 90 12.327 -8.930 -5.085 1.00 33.13 H new ATOM 0 HG2 PRO A 90 12.157 -9.188 -2.313 1.00 53.43 H new ATOM 0 HG3 PRO A 90 13.463 -9.799 -3.309 1.00 53.43 H new ATOM 0 HD2 PRO A 90 13.382 -7.331 -1.613 1.00 0.11 H new ATOM 0 HD3 PRO A 90 14.744 -8.366 -1.995 1.00 0.11 H new ATOM 700 N LEU A 91 11.471 -5.480 -5.413 1.00 43.04 N ATOM 701 CA LEU A 91 10.517 -4.395 -5.385 1.00 3.43 C ATOM 702 C LEU A 91 9.108 -4.976 -5.403 1.00 12.45 C ATOM 703 O LEU A 91 8.724 -5.688 -6.334 1.00 72.11 O ATOM 704 CB LEU A 91 10.748 -3.450 -6.578 1.00 74.21 C ATOM 705 CG LEU A 91 10.009 -2.102 -6.531 1.00 43.41 C ATOM 706 CD1 LEU A 91 8.532 -2.268 -6.837 1.00 21.50 C ATOM 707 CD2 LEU A 91 10.198 -1.437 -5.176 1.00 13.00 C ATOM 0 H LEU A 91 11.486 -6.003 -6.288 1.00 43.04 H new ATOM 0 HA LEU A 91 10.646 -3.810 -4.474 1.00 3.43 H new ATOM 0 HB2 LEU A 91 11.817 -3.252 -6.656 1.00 74.21 H new ATOM 0 HB3 LEU A 91 10.453 -3.971 -7.489 1.00 74.21 H new ATOM 0 HG LEU A 91 10.440 -1.461 -7.300 1.00 43.41 H new ATOM 0 HD11 LEU A 91 8.040 -1.296 -6.795 1.00 21.50 H new ATOM 0 HD12 LEU A 91 8.412 -2.693 -7.834 1.00 21.50 H new ATOM 0 HD13 LEU A 91 8.081 -2.935 -6.102 1.00 21.50 H new ATOM 0 HD21 LEU A 91 9.668 -0.485 -5.161 1.00 13.00 H new ATOM 0 HD22 LEU A 91 9.802 -2.085 -4.394 1.00 13.00 H new ATOM 0 HD23 LEU A 91 11.260 -1.264 -5.000 1.00 13.00 H new ATOM 719 N PHE A 92 8.362 -4.687 -4.355 1.00 35.31 N ATOM 720 CA PHE A 92 6.997 -5.158 -4.222 1.00 70.41 C ATOM 721 C PHE A 92 6.031 -4.012 -4.461 1.00 52.23 C ATOM 722 O PHE A 92 6.232 -2.909 -3.954 1.00 32.11 O ATOM 723 CB PHE A 92 6.781 -5.768 -2.829 1.00 72.15 C ATOM 724 CG PHE A 92 7.511 -7.066 -2.624 1.00 44.42 C ATOM 725 CD1 PHE A 92 8.861 -7.078 -2.319 1.00 63.44 C ATOM 726 CD2 PHE A 92 6.847 -8.275 -2.738 1.00 22.03 C ATOM 727 CE1 PHE A 92 9.535 -8.268 -2.133 1.00 63.11 C ATOM 728 CE2 PHE A 92 7.516 -9.470 -2.552 1.00 61.43 C ATOM 729 CZ PHE A 92 8.861 -9.466 -2.249 1.00 62.13 C ATOM 0 H PHE A 92 8.685 -4.119 -3.572 1.00 35.31 H new ATOM 0 HA PHE A 92 6.811 -5.931 -4.967 1.00 70.41 H new ATOM 0 HB2 PHE A 92 7.107 -5.053 -2.073 1.00 72.15 H new ATOM 0 HB3 PHE A 92 5.715 -5.931 -2.674 1.00 72.15 H new ATOM 0 HD1 PHE A 92 9.394 -6.144 -2.225 1.00 63.44 H new ATOM 0 HD2 PHE A 92 5.793 -8.285 -2.975 1.00 22.03 H new ATOM 0 HE1 PHE A 92 10.589 -8.261 -1.897 1.00 63.11 H new ATOM 0 HE2 PHE A 92 6.986 -10.406 -2.644 1.00 61.43 H new ATOM 0 HZ PHE A 92 9.386 -10.399 -2.103 1.00 62.13 H new ATOM 739 N THR A 93 4.993 -4.269 -5.236 1.00 74.11 N ATOM 740 CA THR A 93 4.024 -3.245 -5.560 1.00 44.34 C ATOM 741 C THR A 93 2.651 -3.635 -5.021 1.00 52.51 C ATOM 742 O THR A 93 1.962 -4.490 -5.587 1.00 61.32 O ATOM 743 CB THR A 93 3.951 -3.009 -7.083 1.00 2.31 C ATOM 744 OG1 THR A 93 5.265 -2.726 -7.590 1.00 53.00 O ATOM 745 CG2 THR A 93 3.023 -1.848 -7.412 1.00 42.43 C ATOM 0 H THR A 93 4.802 -5.180 -5.652 1.00 74.11 H new ATOM 0 HA THR A 93 4.342 -2.315 -5.090 1.00 44.34 H new ATOM 0 HB THR A 93 3.557 -3.911 -7.551 1.00 2.31 H new ATOM 0 HG1 THR A 93 5.217 -2.578 -8.558 1.00 53.00 H new ATOM 0 HG21 THR A 93 2.990 -1.703 -8.492 1.00 42.43 H new ATOM 0 HG22 THR A 93 2.021 -2.068 -7.044 1.00 42.43 H new ATOM 0 HG23 THR A 93 3.393 -0.940 -6.936 1.00 42.43 H new ATOM 753 N ILE A 94 2.284 -3.032 -3.905 1.00 11.44 N ATOM 754 CA ILE A 94 1.002 -3.288 -3.275 1.00 62.34 C ATOM 755 C ILE A 94 0.026 -2.185 -3.639 1.00 62.11 C ATOM 756 O ILE A 94 0.347 -1.001 -3.530 1.00 23.24 O ATOM 757 CB ILE A 94 1.133 -3.361 -1.734 1.00 73.43 C ATOM 758 CG1 ILE A 94 1.967 -4.581 -1.315 1.00 45.24 C ATOM 759 CG2 ILE A 94 -0.242 -3.394 -1.072 1.00 74.25 C ATOM 760 CD1 ILE A 94 1.192 -5.879 -1.257 1.00 3.21 C ATOM 0 H ILE A 94 2.864 -2.353 -3.411 1.00 11.44 H new ATOM 0 HA ILE A 94 0.637 -4.250 -3.636 1.00 62.34 H new ATOM 0 HB ILE A 94 1.650 -2.463 -1.396 1.00 73.43 H new ATOM 0 HG12 ILE A 94 2.795 -4.697 -2.015 1.00 45.24 H new ATOM 0 HG13 ILE A 94 2.403 -4.388 -0.335 1.00 45.24 H new ATOM 0 HG21 ILE A 94 -0.124 -3.445 0.010 1.00 74.25 H new ATOM 0 HG22 ILE A 94 -0.794 -2.491 -1.334 1.00 74.25 H new ATOM 0 HG23 ILE A 94 -0.792 -4.269 -1.419 1.00 74.25 H new ATOM 0 HD11 ILE A 94 1.858 -6.687 -0.953 1.00 3.21 H new ATOM 0 HD12 ILE A 94 0.381 -5.786 -0.535 1.00 3.21 H new ATOM 0 HD13 ILE A 94 0.779 -6.100 -2.241 1.00 3.21 H new ATOM 772 N SER A 95 -1.143 -2.569 -4.100 1.00 13.31 N ATOM 773 CA SER A 95 -2.191 -1.615 -4.363 1.00 30.03 C ATOM 774 C SER A 95 -3.294 -1.757 -3.336 1.00 40.12 C ATOM 775 O SER A 95 -3.585 -2.861 -2.868 1.00 34.44 O ATOM 776 CB SER A 95 -2.747 -1.811 -5.769 1.00 21.22 C ATOM 777 OG SER A 95 -2.786 -3.180 -6.126 1.00 42.04 O ATOM 0 H SER A 95 -1.390 -3.538 -4.300 1.00 13.31 H new ATOM 0 HA SER A 95 -1.775 -0.610 -4.293 1.00 30.03 H new ATOM 0 HB2 SER A 95 -3.751 -1.390 -5.826 1.00 21.22 H new ATOM 0 HB3 SER A 95 -2.132 -1.265 -6.484 1.00 21.22 H new ATOM 0 HG SER A 95 -2.630 -3.271 -7.089 1.00 42.04 H new ATOM 783 N VAL A 96 -3.886 -0.642 -2.961 1.00 0.20 N ATOM 784 CA VAL A 96 -5.012 -0.663 -2.058 1.00 63.30 C ATOM 785 C VAL A 96 -6.086 0.299 -2.533 1.00 20.05 C ATOM 786 O VAL A 96 -5.818 1.473 -2.796 1.00 62.23 O ATOM 787 CB VAL A 96 -4.603 -0.330 -0.606 1.00 51.55 C ATOM 788 CG1 VAL A 96 -3.957 1.046 -0.508 1.00 15.51 C ATOM 789 CG2 VAL A 96 -5.812 -0.427 0.307 1.00 71.53 C ATOM 0 H VAL A 96 -3.604 0.289 -3.269 1.00 0.20 H new ATOM 0 HA VAL A 96 -5.408 -1.678 -2.060 1.00 63.30 H new ATOM 0 HB VAL A 96 -3.859 -1.059 -0.286 1.00 51.55 H new ATOM 0 HG11 VAL A 96 -3.682 1.246 0.528 1.00 15.51 H new ATOM 0 HG12 VAL A 96 -3.064 1.074 -1.132 1.00 15.51 H new ATOM 0 HG13 VAL A 96 -4.662 1.804 -0.849 1.00 15.51 H new ATOM 0 HG21 VAL A 96 -5.516 -0.191 1.329 1.00 71.53 H new ATOM 0 HG22 VAL A 96 -6.574 0.279 -0.022 1.00 71.53 H new ATOM 0 HG23 VAL A 96 -6.215 -1.439 0.271 1.00 71.53 H new ATOM 799 N GLU A 97 -7.289 -0.211 -2.682 1.00 63.13 N ATOM 800 CA GLU A 97 -8.411 0.609 -3.074 1.00 44.12 C ATOM 801 C GLU A 97 -9.146 1.072 -1.830 1.00 14.44 C ATOM 802 O GLU A 97 -9.702 0.266 -1.085 1.00 24.03 O ATOM 803 CB GLU A 97 -9.336 -0.178 -3.990 1.00 43.43 C ATOM 804 CG GLU A 97 -10.318 0.683 -4.765 1.00 52.45 C ATOM 805 CD GLU A 97 -11.059 -0.097 -5.830 1.00 30.12 C ATOM 806 OE1 GLU A 97 -11.672 -1.130 -5.500 1.00 4.05 O ATOM 807 OE2 GLU A 97 -11.031 0.319 -7.009 1.00 44.14 O ATOM 0 H GLU A 97 -7.514 -1.195 -2.536 1.00 63.13 H new ATOM 0 HA GLU A 97 -8.058 1.483 -3.622 1.00 44.12 H new ATOM 0 HB2 GLU A 97 -8.732 -0.748 -4.696 1.00 43.43 H new ATOM 0 HB3 GLU A 97 -9.894 -0.899 -3.393 1.00 43.43 H new ATOM 0 HG2 GLU A 97 -11.038 1.120 -4.073 1.00 52.45 H new ATOM 0 HG3 GLU A 97 -9.782 1.509 -5.232 1.00 52.45 H new ATOM 814 N VAL A 98 -9.118 2.368 -1.598 1.00 14.43 N ATOM 815 CA VAL A 98 -9.699 2.948 -0.402 1.00 45.21 C ATOM 816 C VAL A 98 -10.738 3.987 -0.777 1.00 30.33 C ATOM 817 O VAL A 98 -10.418 4.992 -1.416 1.00 24.44 O ATOM 818 CB VAL A 98 -8.628 3.609 0.490 1.00 64.24 C ATOM 819 CG1 VAL A 98 -9.238 4.072 1.802 1.00 51.23 C ATOM 820 CG2 VAL A 98 -7.467 2.661 0.743 1.00 55.33 C ATOM 0 H VAL A 98 -8.694 3.048 -2.229 1.00 14.43 H new ATOM 0 HA VAL A 98 -10.164 2.137 0.159 1.00 45.21 H new ATOM 0 HB VAL A 98 -8.241 4.481 -0.037 1.00 64.24 H new ATOM 0 HG11 VAL A 98 -8.467 4.536 2.418 1.00 51.23 H new ATOM 0 HG12 VAL A 98 -10.027 4.797 1.601 1.00 51.23 H new ATOM 0 HG13 VAL A 98 -9.658 3.216 2.330 1.00 51.23 H new ATOM 0 HG21 VAL A 98 -6.727 3.153 1.374 1.00 55.33 H new ATOM 0 HG22 VAL A 98 -7.832 1.764 1.243 1.00 55.33 H new ATOM 0 HG23 VAL A 98 -7.008 2.386 -0.207 1.00 55.33 H new ATOM 830 N ASP A 99 -11.982 3.719 -0.395 1.00 1.45 N ATOM 831 CA ASP A 99 -13.103 4.624 -0.650 1.00 24.33 C ATOM 832 C ASP A 99 -13.324 4.800 -2.153 1.00 34.21 C ATOM 833 O ASP A 99 -13.931 5.769 -2.596 1.00 31.40 O ATOM 834 CB ASP A 99 -12.857 5.980 0.023 1.00 53.44 C ATOM 835 CG ASP A 99 -14.119 6.809 0.162 1.00 60.44 C ATOM 836 OD1 ASP A 99 -14.999 6.422 0.963 1.00 23.44 O ATOM 837 OD2 ASP A 99 -14.225 7.860 -0.503 1.00 42.32 O ATOM 0 H ASP A 99 -12.245 2.867 0.101 1.00 1.45 H new ATOM 0 HA ASP A 99 -14.005 4.185 -0.224 1.00 24.33 H new ATOM 0 HB2 ASP A 99 -12.425 5.817 1.011 1.00 53.44 H new ATOM 0 HB3 ASP A 99 -12.123 6.540 -0.557 1.00 53.44 H new ATOM 842 N GLY A 100 -12.839 3.844 -2.934 1.00 62.22 N ATOM 843 CA GLY A 100 -13.005 3.905 -4.372 1.00 63.44 C ATOM 844 C GLY A 100 -11.712 4.236 -5.088 1.00 34.40 C ATOM 845 O GLY A 100 -11.504 3.829 -6.231 1.00 52.14 O ATOM 0 H GLY A 100 -12.333 3.026 -2.596 1.00 62.22 H new ATOM 0 HA2 GLY A 100 -13.382 2.948 -4.733 1.00 63.44 H new ATOM 0 HA3 GLY A 100 -13.756 4.656 -4.617 1.00 63.44 H new ATOM 849 N GLN A 101 -10.835 4.965 -4.416 1.00 0.21 N ATOM 850 CA GLN A 101 -9.566 5.361 -5.006 1.00 32.21 C ATOM 851 C GLN A 101 -8.513 4.285 -4.808 1.00 11.11 C ATOM 852 O GLN A 101 -8.301 3.804 -3.697 1.00 23.55 O ATOM 853 CB GLN A 101 -9.092 6.690 -4.420 1.00 25.34 C ATOM 854 CG GLN A 101 -9.663 7.900 -5.142 1.00 13.34 C ATOM 855 CD GLN A 101 -9.182 7.977 -6.578 1.00 24.21 C ATOM 856 OE1 GLN A 101 -8.155 8.589 -6.864 1.00 22.43 O ATOM 857 NE2 GLN A 101 -9.912 7.353 -7.488 1.00 23.12 N ATOM 0 H GLN A 101 -10.979 5.295 -3.461 1.00 0.21 H new ATOM 0 HA GLN A 101 -9.719 5.490 -6.077 1.00 32.21 H new ATOM 0 HB2 GLN A 101 -9.373 6.737 -3.368 1.00 25.34 H new ATOM 0 HB3 GLN A 101 -8.004 6.730 -4.461 1.00 25.34 H new ATOM 0 HG2 GLN A 101 -10.752 7.853 -5.125 1.00 13.34 H new ATOM 0 HG3 GLN A 101 -9.375 8.808 -4.613 1.00 13.34 H new ATOM 0 HE21 GLN A 101 -10.758 6.856 -7.210 1.00 23.12 H new ATOM 0 HE22 GLN A 101 -9.629 7.369 -8.468 1.00 23.12 H new ATOM 866 N LYS A 102 -7.860 3.910 -5.894 1.00 54.33 N ATOM 867 CA LYS A 102 -6.862 2.857 -5.852 1.00 34.33 C ATOM 868 C LYS A 102 -5.472 3.465 -5.735 1.00 21.42 C ATOM 869 O LYS A 102 -4.980 4.098 -6.667 1.00 0.21 O ATOM 870 CB LYS A 102 -6.975 1.983 -7.103 1.00 11.14 C ATOM 871 CG LYS A 102 -6.321 0.612 -6.969 1.00 72.10 C ATOM 872 CD LYS A 102 -4.825 0.650 -7.260 1.00 24.41 C ATOM 873 CE LYS A 102 -4.541 0.962 -8.721 1.00 54.45 C ATOM 874 NZ LYS A 102 -3.091 0.882 -9.040 1.00 42.21 N ATOM 0 H LYS A 102 -8.004 4.320 -6.817 1.00 54.33 H new ATOM 0 HA LYS A 102 -7.035 2.228 -4.978 1.00 34.33 H new ATOM 0 HB2 LYS A 102 -8.029 1.848 -7.344 1.00 11.14 H new ATOM 0 HB3 LYS A 102 -6.521 2.509 -7.942 1.00 11.14 H new ATOM 0 HG2 LYS A 102 -6.482 0.233 -5.960 1.00 72.10 H new ATOM 0 HG3 LYS A 102 -6.804 -0.086 -7.653 1.00 72.10 H new ATOM 0 HD2 LYS A 102 -4.351 1.402 -6.629 1.00 24.41 H new ATOM 0 HD3 LYS A 102 -4.380 -0.310 -7.000 1.00 24.41 H new ATOM 0 HE2 LYS A 102 -5.090 0.264 -9.353 1.00 54.45 H new ATOM 0 HE3 LYS A 102 -4.908 1.961 -8.956 1.00 54.45 H new ATOM 0 HZ1 LYS A 102 -2.944 1.102 -10.046 1.00 42.21 H new ATOM 0 HZ2 LYS A 102 -2.569 1.566 -8.456 1.00 42.21 H new ATOM 0 HZ3 LYS A 102 -2.744 -0.078 -8.841 1.00 42.21 H new ATOM 888 N TYR A 103 -4.856 3.283 -4.581 1.00 70.34 N ATOM 889 CA TYR A 103 -3.535 3.832 -4.320 1.00 12.55 C ATOM 890 C TYR A 103 -2.475 2.765 -4.536 1.00 25.35 C ATOM 891 O TYR A 103 -2.794 1.578 -4.597 1.00 41.21 O ATOM 892 CB TYR A 103 -3.467 4.368 -2.893 1.00 23.14 C ATOM 893 CG TYR A 103 -4.547 5.376 -2.590 1.00 55.52 C ATOM 894 CD1 TYR A 103 -4.371 6.718 -2.889 1.00 73.52 C ATOM 895 CD2 TYR A 103 -5.749 4.986 -2.011 1.00 63.51 C ATOM 896 CE1 TYR A 103 -5.356 7.643 -2.621 1.00 13.33 C ATOM 897 CE2 TYR A 103 -6.741 5.907 -1.739 1.00 12.45 C ATOM 898 CZ TYR A 103 -6.539 7.234 -2.044 1.00 71.13 C ATOM 899 OH TYR A 103 -7.523 8.160 -1.771 1.00 21.52 O ATOM 0 H TYR A 103 -5.252 2.755 -3.803 1.00 70.34 H new ATOM 0 HA TYR A 103 -3.348 4.653 -5.012 1.00 12.55 H new ATOM 0 HB2 TYR A 103 -3.548 3.536 -2.194 1.00 23.14 H new ATOM 0 HB3 TYR A 103 -2.492 4.828 -2.730 1.00 23.14 H new ATOM 0 HD1 TYR A 103 -3.445 7.044 -3.340 1.00 73.52 H new ATOM 0 HD2 TYR A 103 -5.910 3.946 -1.770 1.00 63.51 H new ATOM 0 HE1 TYR A 103 -5.202 8.684 -2.862 1.00 13.33 H new ATOM 0 HE2 TYR A 103 -7.670 5.588 -1.290 1.00 12.45 H new ATOM 0 HH TYR A 103 -7.207 9.055 -2.017 1.00 21.52 H new ATOM 909 N LEU A 104 -1.220 3.181 -4.644 1.00 23.41 N ATOM 910 CA LEU A 104 -0.136 2.252 -4.915 1.00 34.43 C ATOM 911 C LEU A 104 1.040 2.506 -3.980 1.00 23.20 C ATOM 912 O LEU A 104 1.309 3.648 -3.605 1.00 31.41 O ATOM 913 CB LEU A 104 0.325 2.401 -6.362 1.00 11.14 C ATOM 914 CG LEU A 104 0.964 1.158 -6.965 1.00 52.22 C ATOM 915 CD1 LEU A 104 -0.045 0.028 -7.006 1.00 43.01 C ATOM 916 CD2 LEU A 104 1.494 1.456 -8.356 1.00 71.20 C ATOM 0 H LEU A 104 -0.930 4.154 -4.548 1.00 23.41 H new ATOM 0 HA LEU A 104 -0.503 1.239 -4.749 1.00 34.43 H new ATOM 0 HB2 LEU A 104 -0.532 2.683 -6.973 1.00 11.14 H new ATOM 0 HB3 LEU A 104 1.040 3.222 -6.417 1.00 11.14 H new ATOM 0 HG LEU A 104 1.804 0.853 -6.341 1.00 52.22 H new ATOM 0 HD11 LEU A 104 0.419 -0.858 -7.439 1.00 43.01 H new ATOM 0 HD12 LEU A 104 -0.382 -0.196 -5.994 1.00 43.01 H new ATOM 0 HD13 LEU A 104 -0.899 0.325 -7.615 1.00 43.01 H new ATOM 0 HD21 LEU A 104 1.948 0.557 -8.773 1.00 71.20 H new ATOM 0 HD22 LEU A 104 0.673 1.779 -8.997 1.00 71.20 H new ATOM 0 HD23 LEU A 104 2.242 2.247 -8.299 1.00 71.20 H new ATOM 928 N GLY A 105 1.723 1.438 -3.598 1.00 22.24 N ATOM 929 CA GLY A 105 2.907 1.561 -2.776 1.00 71.14 C ATOM 930 C GLY A 105 3.971 0.569 -3.184 1.00 63.34 C ATOM 931 O GLY A 105 3.673 -0.600 -3.433 1.00 10.21 O ATOM 0 H GLY A 105 1.475 0.480 -3.846 1.00 22.24 H new ATOM 0 HA2 GLY A 105 3.303 2.574 -2.856 1.00 71.14 H new ATOM 0 HA3 GLY A 105 2.643 1.403 -1.730 1.00 71.14 H new ATOM 935 N GLN A 106 5.209 1.028 -3.263 1.00 55.22 N ATOM 936 CA GLN A 106 6.301 0.179 -3.713 1.00 32.14 C ATOM 937 C GLN A 106 7.390 0.096 -2.651 1.00 4.22 C ATOM 938 O GLN A 106 7.978 1.109 -2.272 1.00 35.10 O ATOM 939 CB GLN A 106 6.882 0.704 -5.024 1.00 12.34 C ATOM 940 CG GLN A 106 5.833 0.916 -6.100 1.00 4.51 C ATOM 941 CD GLN A 106 6.427 0.942 -7.488 1.00 11.02 C ATOM 942 OE1 GLN A 106 6.838 1.990 -7.988 1.00 22.23 O ATOM 943 NE2 GLN A 106 6.457 -0.216 -8.126 1.00 41.23 N ATOM 0 H GLN A 106 5.483 1.981 -3.022 1.00 55.22 H new ATOM 0 HA GLN A 106 5.906 -0.822 -3.883 1.00 32.14 H new ATOM 0 HB2 GLN A 106 7.395 1.647 -4.835 1.00 12.34 H new ATOM 0 HB3 GLN A 106 7.631 0.001 -5.389 1.00 12.34 H new ATOM 0 HG2 GLN A 106 5.090 0.120 -6.041 1.00 4.51 H new ATOM 0 HG3 GLN A 106 5.311 1.854 -5.914 1.00 4.51 H new ATOM 0 HE21 GLN A 106 6.105 -1.058 -7.671 1.00 41.23 H new ATOM 0 HE22 GLN A 106 6.832 -0.267 -9.073 1.00 41.23 H new ATOM 952 N GLY A 107 7.649 -1.114 -2.179 1.00 41.21 N ATOM 953 CA GLY A 107 8.628 -1.308 -1.129 1.00 54.44 C ATOM 954 C GLY A 107 9.526 -2.496 -1.390 1.00 63.02 C ATOM 955 O GLY A 107 9.311 -3.245 -2.338 1.00 21.52 O ATOM 0 H GLY A 107 7.197 -1.968 -2.505 1.00 41.21 H new ATOM 0 HA2 GLY A 107 9.238 -0.409 -1.034 1.00 54.44 H new ATOM 0 HA3 GLY A 107 8.114 -1.447 -0.178 1.00 54.44 H new ATOM 959 N ARG A 108 10.522 -2.687 -0.535 1.00 50.43 N ATOM 960 CA ARG A 108 11.482 -3.777 -0.701 1.00 30.32 C ATOM 961 C ARG A 108 10.950 -5.077 -0.111 1.00 14.31 C ATOM 962 O ARG A 108 11.652 -6.089 -0.060 1.00 32.51 O ATOM 963 CB ARG A 108 12.816 -3.410 -0.050 1.00 33.05 C ATOM 964 CG ARG A 108 13.442 -2.164 -0.649 1.00 22.01 C ATOM 965 CD ARG A 108 13.675 -2.341 -2.139 1.00 73.03 C ATOM 966 NE ARG A 108 13.963 -1.078 -2.812 1.00 72.34 N ATOM 967 CZ ARG A 108 14.025 -0.943 -4.135 1.00 62.14 C ATOM 968 NH1 ARG A 108 13.888 -2.014 -4.916 1.00 31.53 N ATOM 969 NH2 ARG A 108 14.236 0.250 -4.674 1.00 65.31 N ATOM 0 H ARG A 108 10.689 -2.101 0.283 1.00 50.43 H new ATOM 0 HA ARG A 108 11.636 -3.930 -1.769 1.00 30.32 H new ATOM 0 HB2 ARG A 108 12.663 -3.256 1.018 1.00 33.05 H new ATOM 0 HB3 ARG A 108 13.508 -4.245 -0.156 1.00 33.05 H new ATOM 0 HG2 ARG A 108 12.792 -1.306 -0.477 1.00 22.01 H new ATOM 0 HG3 ARG A 108 14.388 -1.951 -0.151 1.00 22.01 H new ATOM 0 HD2 ARG A 108 14.505 -3.030 -2.295 1.00 73.03 H new ATOM 0 HD3 ARG A 108 12.794 -2.797 -2.590 1.00 73.03 H new ATOM 0 HE ARG A 108 14.126 -0.252 -2.236 1.00 72.34 H new ATOM 0 HH11 ARG A 108 13.736 -2.933 -4.500 1.00 31.53 H new ATOM 0 HH12 ARG A 108 13.935 -1.915 -5.930 1.00 31.53 H new ATOM 0 HH21 ARG A 108 14.351 1.067 -4.075 1.00 65.31 H new ATOM 0 HH22 ARG A 108 14.283 0.350 -5.688 1.00 65.31 H new ATOM 983 N SER A 109 9.705 -5.038 0.331 1.00 44.21 N ATOM 984 CA SER A 109 9.050 -6.188 0.928 1.00 34.42 C ATOM 985 C SER A 109 7.543 -5.983 0.855 1.00 74.43 C ATOM 986 O SER A 109 7.079 -4.854 0.668 1.00 42.12 O ATOM 987 CB SER A 109 9.485 -6.364 2.388 1.00 52.11 C ATOM 988 OG SER A 109 10.897 -6.462 2.505 1.00 3.42 O ATOM 0 H SER A 109 9.118 -4.205 0.286 1.00 44.21 H new ATOM 0 HA SER A 109 9.333 -7.088 0.382 1.00 34.42 H new ATOM 0 HB2 SER A 109 9.128 -5.520 2.979 1.00 52.11 H new ATOM 0 HB3 SER A 109 9.022 -7.260 2.801 1.00 52.11 H new ATOM 0 HG SER A 109 11.289 -6.616 1.620 1.00 3.42 H new ATOM 994 N LYS A 110 6.785 -7.063 1.003 1.00 41.03 N ATOM 995 CA LYS A 110 5.326 -6.987 0.987 1.00 33.23 C ATOM 996 C LYS A 110 4.840 -6.078 2.112 1.00 10.31 C ATOM 997 O LYS A 110 3.878 -5.326 1.959 1.00 4.40 O ATOM 998 CB LYS A 110 4.731 -8.382 1.163 1.00 34.42 C ATOM 999 CG LYS A 110 5.142 -9.345 0.068 1.00 73.04 C ATOM 1000 CD LYS A 110 4.656 -10.754 0.344 1.00 73.24 C ATOM 1001 CE LYS A 110 5.002 -11.673 -0.810 1.00 12.34 C ATOM 1002 NZ LYS A 110 4.530 -13.064 -0.581 1.00 12.41 N ATOM 0 H LYS A 110 7.156 -8.004 1.136 1.00 41.03 H new ATOM 0 HA LYS A 110 5.004 -6.577 0.030 1.00 33.23 H new ATOM 0 HB2 LYS A 110 5.041 -8.784 2.128 1.00 34.42 H new ATOM 0 HB3 LYS A 110 3.644 -8.307 1.184 1.00 34.42 H new ATOM 0 HG2 LYS A 110 4.741 -9.003 -0.886 1.00 73.04 H new ATOM 0 HG3 LYS A 110 6.228 -9.347 -0.025 1.00 73.04 H new ATOM 0 HD2 LYS A 110 5.109 -11.128 1.262 1.00 73.24 H new ATOM 0 HD3 LYS A 110 3.577 -10.748 0.501 1.00 73.24 H new ATOM 0 HE2 LYS A 110 4.556 -11.286 -1.726 1.00 12.34 H new ATOM 0 HE3 LYS A 110 6.082 -11.677 -0.958 1.00 12.34 H new ATOM 0 HZ1 LYS A 110 4.997 -13.704 -1.255 1.00 12.41 H new ATOM 0 HZ2 LYS A 110 4.762 -13.354 0.390 1.00 12.41 H new ATOM 0 HZ3 LYS A 110 3.500 -13.108 -0.718 1.00 12.41 H new ATOM 1016 N LYS A 111 5.532 -6.158 3.242 1.00 15.54 N ATOM 1017 CA LYS A 111 5.228 -5.335 4.405 1.00 51.13 C ATOM 1018 C LYS A 111 5.439 -3.855 4.094 1.00 61.12 C ATOM 1019 O LYS A 111 4.588 -3.022 4.409 1.00 65.12 O ATOM 1020 CB LYS A 111 6.094 -5.788 5.593 1.00 3.24 C ATOM 1021 CG LYS A 111 6.245 -4.769 6.718 1.00 24.30 C ATOM 1022 CD LYS A 111 7.551 -3.998 6.589 1.00 52.31 C ATOM 1023 CE LYS A 111 7.790 -3.073 7.771 1.00 32.50 C ATOM 1024 NZ LYS A 111 9.132 -2.436 7.701 1.00 33.31 N ATOM 0 H LYS A 111 6.318 -6.794 3.377 1.00 15.54 H new ATOM 0 HA LYS A 111 4.178 -5.462 4.670 1.00 51.13 H new ATOM 0 HB2 LYS A 111 5.664 -6.700 6.007 1.00 3.24 H new ATOM 0 HB3 LYS A 111 7.086 -6.043 5.221 1.00 3.24 H new ATOM 0 HG2 LYS A 111 5.406 -4.074 6.698 1.00 24.30 H new ATOM 0 HG3 LYS A 111 6.214 -5.279 7.681 1.00 24.30 H new ATOM 0 HD2 LYS A 111 8.380 -4.701 6.507 1.00 52.31 H new ATOM 0 HD3 LYS A 111 7.537 -3.413 5.669 1.00 52.31 H new ATOM 0 HE2 LYS A 111 7.020 -2.301 7.792 1.00 32.50 H new ATOM 0 HE3 LYS A 111 7.702 -3.637 8.700 1.00 32.50 H new ATOM 0 HZ1 LYS A 111 9.263 -1.811 8.522 1.00 33.31 H new ATOM 0 HZ2 LYS A 111 9.866 -3.172 7.705 1.00 33.31 H new ATOM 0 HZ3 LYS A 111 9.206 -1.878 6.826 1.00 33.31 H new ATOM 1038 N VAL A 112 6.563 -3.545 3.457 1.00 73.14 N ATOM 1039 CA VAL A 112 6.894 -2.167 3.117 1.00 64.02 C ATOM 1040 C VAL A 112 5.879 -1.601 2.134 1.00 4.32 C ATOM 1041 O VAL A 112 5.279 -0.559 2.380 1.00 24.01 O ATOM 1042 CB VAL A 112 8.303 -2.052 2.493 1.00 34.03 C ATOM 1043 CG1 VAL A 112 8.686 -0.593 2.293 1.00 14.11 C ATOM 1044 CG2 VAL A 112 9.338 -2.764 3.345 1.00 53.12 C ATOM 0 H VAL A 112 7.260 -4.230 3.166 1.00 73.14 H new ATOM 0 HA VAL A 112 6.874 -1.598 4.047 1.00 64.02 H new ATOM 0 HB VAL A 112 8.278 -2.538 1.518 1.00 34.03 H new ATOM 0 HG11 VAL A 112 9.681 -0.535 1.853 1.00 14.11 H new ATOM 0 HG12 VAL A 112 7.967 -0.116 1.627 1.00 14.11 H new ATOM 0 HG13 VAL A 112 8.685 -0.081 3.255 1.00 14.11 H new ATOM 0 HG21 VAL A 112 10.320 -2.667 2.882 1.00 53.12 H new ATOM 0 HG22 VAL A 112 9.360 -2.318 4.339 1.00 53.12 H new ATOM 0 HG23 VAL A 112 9.078 -3.819 3.427 1.00 53.12 H new ATOM 1054 N ALA A 113 5.682 -2.320 1.035 1.00 63.22 N ATOM 1055 CA ALA A 113 4.811 -1.871 -0.042 1.00 42.12 C ATOM 1056 C ALA A 113 3.389 -1.620 0.447 1.00 71.10 C ATOM 1057 O ALA A 113 2.740 -0.664 0.023 1.00 20.22 O ATOM 1058 CB ALA A 113 4.817 -2.890 -1.167 1.00 24.35 C ATOM 0 H ALA A 113 6.120 -3.226 0.867 1.00 63.22 H new ATOM 0 HA ALA A 113 5.196 -0.922 -0.414 1.00 42.12 H new ATOM 0 HB1 ALA A 113 4.164 -2.549 -1.970 1.00 24.35 H new ATOM 0 HB2 ALA A 113 5.832 -3.005 -1.549 1.00 24.35 H new ATOM 0 HB3 ALA A 113 4.460 -3.849 -0.791 1.00 24.35 H new ATOM 1064 N ARG A 114 2.915 -2.483 1.344 1.00 5.05 N ATOM 1065 CA ARG A 114 1.588 -2.341 1.930 1.00 70.13 C ATOM 1066 C ARG A 114 1.457 -0.989 2.630 1.00 32.14 C ATOM 1067 O ARG A 114 0.457 -0.286 2.484 1.00 4.23 O ATOM 1068 CB ARG A 114 1.337 -3.472 2.932 1.00 44.43 C ATOM 1069 CG ARG A 114 -0.062 -3.468 3.522 1.00 43.10 C ATOM 1070 CD ARG A 114 -0.126 -4.254 4.820 1.00 31.31 C ATOM 1071 NE ARG A 114 0.820 -3.745 5.819 1.00 12.34 N ATOM 1072 CZ ARG A 114 0.557 -3.668 7.127 1.00 73.35 C ATOM 1073 NH1 ARG A 114 -0.612 -4.065 7.605 1.00 64.34 N ATOM 1074 NH2 ARG A 114 1.468 -3.195 7.968 1.00 54.24 N ATOM 0 H ARG A 114 3.436 -3.292 1.681 1.00 5.05 H new ATOM 0 HA ARG A 114 0.846 -2.396 1.133 1.00 70.13 H new ATOM 0 HB2 ARG A 114 1.510 -4.428 2.438 1.00 44.43 H new ATOM 0 HB3 ARG A 114 2.063 -3.396 3.741 1.00 44.43 H new ATOM 0 HG2 ARG A 114 -0.378 -2.441 3.703 1.00 43.10 H new ATOM 0 HG3 ARG A 114 -0.761 -3.895 2.803 1.00 43.10 H new ATOM 0 HD2 ARG A 114 -1.138 -4.207 5.222 1.00 31.31 H new ATOM 0 HD3 ARG A 114 0.089 -5.304 4.619 1.00 31.31 H new ATOM 0 HE ARG A 114 1.735 -3.431 5.495 1.00 12.34 H new ATOM 0 HH11 ARG A 114 -1.323 -4.434 6.973 1.00 64.34 H new ATOM 0 HH12 ARG A 114 -0.802 -4.002 8.605 1.00 64.34 H new ATOM 0 HH21 ARG A 114 2.375 -2.888 7.617 1.00 54.24 H new ATOM 0 HH22 ARG A 114 1.261 -3.139 8.965 1.00 54.24 H new ATOM 1088 N ILE A 115 2.484 -0.638 3.390 1.00 71.44 N ATOM 1089 CA ILE A 115 2.518 0.620 4.113 1.00 14.14 C ATOM 1090 C ILE A 115 2.654 1.812 3.164 1.00 51.32 C ATOM 1091 O ILE A 115 1.943 2.806 3.306 1.00 64.14 O ATOM 1092 CB ILE A 115 3.659 0.607 5.152 1.00 43.23 C ATOM 1093 CG1 ILE A 115 3.265 -0.305 6.314 1.00 22.32 C ATOM 1094 CG2 ILE A 115 3.980 2.014 5.639 1.00 61.53 C ATOM 1095 CD1 ILE A 115 4.369 -0.541 7.315 1.00 11.45 C ATOM 0 H ILE A 115 3.314 -1.217 3.521 1.00 71.44 H new ATOM 0 HA ILE A 115 1.569 0.733 4.638 1.00 14.14 H new ATOM 0 HB ILE A 115 4.564 0.221 4.684 1.00 43.23 H new ATOM 0 HG12 ILE A 115 2.409 0.131 6.829 1.00 22.32 H new ATOM 0 HG13 ILE A 115 2.941 -1.266 5.914 1.00 22.32 H new ATOM 0 HG21 ILE A 115 4.788 1.971 6.370 1.00 61.53 H new ATOM 0 HG22 ILE A 115 4.288 2.630 4.794 1.00 61.53 H new ATOM 0 HG23 ILE A 115 3.095 2.450 6.102 1.00 61.53 H new ATOM 0 HD11 ILE A 115 4.008 -1.198 8.107 1.00 11.45 H new ATOM 0 HD12 ILE A 115 5.219 -1.007 6.816 1.00 11.45 H new ATOM 0 HD13 ILE A 115 4.679 0.411 7.746 1.00 11.45 H new ATOM 1107 N GLU A 116 3.546 1.705 2.190 1.00 35.10 N ATOM 1108 CA GLU A 116 3.735 2.767 1.211 1.00 24.21 C ATOM 1109 C GLU A 116 2.437 3.063 0.459 1.00 75.42 C ATOM 1110 O GLU A 116 2.137 4.216 0.141 1.00 43.34 O ATOM 1111 CB GLU A 116 4.840 2.369 0.243 1.00 34.21 C ATOM 1112 CG GLU A 116 6.143 2.042 0.951 1.00 64.01 C ATOM 1113 CD GLU A 116 6.787 3.256 1.591 1.00 52.33 C ATOM 1114 OE1 GLU A 116 6.416 3.601 2.732 1.00 40.01 O ATOM 1115 OE2 GLU A 116 7.672 3.872 0.961 1.00 34.55 O ATOM 0 H GLU A 116 4.150 0.894 2.056 1.00 35.10 H new ATOM 0 HA GLU A 116 4.024 3.679 1.733 1.00 24.21 H new ATOM 0 HB2 GLU A 116 4.517 1.503 -0.336 1.00 34.21 H new ATOM 0 HB3 GLU A 116 5.008 3.181 -0.465 1.00 34.21 H new ATOM 0 HG2 GLU A 116 5.955 1.290 1.717 1.00 64.01 H new ATOM 0 HG3 GLU A 116 6.839 1.602 0.236 1.00 64.01 H new ATOM 1122 N ALA A 117 1.662 2.016 0.195 1.00 52.32 N ATOM 1123 CA ALA A 117 0.366 2.164 -0.455 1.00 72.31 C ATOM 1124 C ALA A 117 -0.583 2.973 0.419 1.00 23.52 C ATOM 1125 O ALA A 117 -1.277 3.874 -0.059 1.00 31.30 O ATOM 1126 CB ALA A 117 -0.227 0.798 -0.764 1.00 21.25 C ATOM 0 H ALA A 117 1.911 1.053 0.422 1.00 52.32 H new ATOM 0 HA ALA A 117 0.508 2.702 -1.392 1.00 72.31 H new ATOM 0 HB1 ALA A 117 -1.195 0.923 -1.249 1.00 21.25 H new ATOM 0 HB2 ALA A 117 0.444 0.252 -1.427 1.00 21.25 H new ATOM 0 HB3 ALA A 117 -0.355 0.239 0.163 1.00 21.25 H new ATOM 1132 N ALA A 118 -0.584 2.661 1.709 1.00 14.25 N ATOM 1133 CA ALA A 118 -1.448 3.340 2.663 1.00 20.15 C ATOM 1134 C ALA A 118 -1.003 4.783 2.878 1.00 44.13 C ATOM 1135 O ALA A 118 -1.820 5.655 3.166 1.00 24.42 O ATOM 1136 CB ALA A 118 -1.474 2.585 3.982 1.00 43.54 C ATOM 0 H ALA A 118 0.008 1.938 2.119 1.00 14.25 H new ATOM 0 HA ALA A 118 -2.458 3.360 2.252 1.00 20.15 H new ATOM 0 HB1 ALA A 118 -2.124 3.105 4.686 1.00 43.54 H new ATOM 0 HB2 ALA A 118 -1.851 1.576 3.816 1.00 43.54 H new ATOM 0 HB3 ALA A 118 -0.465 2.532 4.391 1.00 43.54 H new ATOM 1142 N ALA A 119 0.293 5.029 2.730 1.00 75.53 N ATOM 1143 CA ALA A 119 0.838 6.375 2.873 1.00 12.23 C ATOM 1144 C ALA A 119 0.261 7.303 1.811 1.00 72.13 C ATOM 1145 O ALA A 119 -0.153 8.429 2.106 1.00 31.31 O ATOM 1146 CB ALA A 119 2.355 6.346 2.784 1.00 32.42 C ATOM 0 H ALA A 119 0.987 4.314 2.511 1.00 75.53 H new ATOM 0 HA ALA A 119 0.555 6.757 3.854 1.00 12.23 H new ATOM 0 HB1 ALA A 119 2.745 7.358 2.893 1.00 32.42 H new ATOM 0 HB2 ALA A 119 2.754 5.716 3.579 1.00 32.42 H new ATOM 0 HB3 ALA A 119 2.655 5.943 1.817 1.00 32.42 H new ATOM 1152 N THR A 120 0.226 6.817 0.576 1.00 15.20 N ATOM 1153 CA THR A 120 -0.368 7.557 -0.526 1.00 61.54 C ATOM 1154 C THR A 120 -1.845 7.841 -0.247 1.00 33.44 C ATOM 1155 O THR A 120 -2.363 8.910 -0.575 1.00 10.53 O ATOM 1156 CB THR A 120 -0.234 6.770 -1.848 1.00 32.33 C ATOM 1157 OG1 THR A 120 1.134 6.392 -2.048 1.00 52.23 O ATOM 1158 CG2 THR A 120 -0.703 7.601 -3.034 1.00 63.33 C ATOM 0 H THR A 120 0.605 5.907 0.314 1.00 15.20 H new ATOM 0 HA THR A 120 0.166 8.502 -0.622 1.00 61.54 H new ATOM 0 HB THR A 120 -0.862 5.882 -1.778 1.00 32.33 H new ATOM 0 HG1 THR A 120 1.171 5.539 -2.530 1.00 52.23 H new ATOM 0 HG21 THR A 120 -0.596 7.020 -3.950 1.00 63.33 H new ATOM 0 HG22 THR A 120 -1.749 7.873 -2.896 1.00 63.33 H new ATOM 0 HG23 THR A 120 -0.099 8.506 -3.106 1.00 63.33 H new ATOM 1166 N ALA A 121 -2.506 6.881 0.386 1.00 11.42 N ATOM 1167 CA ALA A 121 -3.915 7.011 0.719 1.00 32.13 C ATOM 1168 C ALA A 121 -4.142 8.111 1.747 1.00 44.21 C ATOM 1169 O ALA A 121 -5.019 8.954 1.574 1.00 61.40 O ATOM 1170 CB ALA A 121 -4.457 5.689 1.233 1.00 55.00 C ATOM 0 H ALA A 121 -2.085 6.000 0.680 1.00 11.42 H new ATOM 0 HA ALA A 121 -4.451 7.286 -0.189 1.00 32.13 H new ATOM 0 HB1 ALA A 121 -5.513 5.800 1.479 1.00 55.00 H new ATOM 0 HB2 ALA A 121 -4.342 4.925 0.464 1.00 55.00 H new ATOM 0 HB3 ALA A 121 -3.906 5.392 2.125 1.00 55.00 H new ATOM 1176 N LEU A 122 -3.342 8.107 2.811 1.00 22.23 N ATOM 1177 CA LEU A 122 -3.493 9.084 3.885 1.00 64.41 C ATOM 1178 C LEU A 122 -3.346 10.508 3.367 1.00 70.15 C ATOM 1179 O LEU A 122 -4.160 11.375 3.682 1.00 31.55 O ATOM 1180 CB LEU A 122 -2.470 8.850 5.000 1.00 74.33 C ATOM 1181 CG LEU A 122 -2.555 7.503 5.716 1.00 0.02 C ATOM 1182 CD1 LEU A 122 -1.677 7.521 6.951 1.00 70.25 C ATOM 1183 CD2 LEU A 122 -3.990 7.171 6.087 1.00 33.52 C ATOM 0 H LEU A 122 -2.584 7.439 2.952 1.00 22.23 H new ATOM 0 HA LEU A 122 -4.497 8.953 4.287 1.00 64.41 H new ATOM 0 HB2 LEU A 122 -1.471 8.951 4.576 1.00 74.33 H new ATOM 0 HB3 LEU A 122 -2.583 9.641 5.742 1.00 74.33 H new ATOM 0 HG LEU A 122 -2.199 6.728 5.038 1.00 0.02 H new ATOM 0 HD11 LEU A 122 -1.742 6.558 7.457 1.00 70.25 H new ATOM 0 HD12 LEU A 122 -0.644 7.709 6.660 1.00 70.25 H new ATOM 0 HD13 LEU A 122 -2.013 8.309 7.625 1.00 70.25 H new ATOM 0 HD21 LEU A 122 -4.021 6.207 6.595 1.00 33.52 H new ATOM 0 HD22 LEU A 122 -4.383 7.943 6.749 1.00 33.52 H new ATOM 0 HD23 LEU A 122 -4.598 7.124 5.183 1.00 33.52 H new ATOM 1195 N ARG A 123 -2.316 10.744 2.562 1.00 50.54 N ATOM 1196 CA ARG A 123 -2.049 12.086 2.054 1.00 33.21 C ATOM 1197 C ARG A 123 -3.137 12.514 1.067 1.00 42.31 C ATOM 1198 O ARG A 123 -3.311 13.699 0.789 1.00 10.31 O ATOM 1199 CB ARG A 123 -0.669 12.155 1.389 1.00 73.45 C ATOM 1200 CG ARG A 123 -0.621 11.567 -0.012 1.00 50.32 C ATOM 1201 CD ARG A 123 0.743 11.757 -0.656 1.00 0.21 C ATOM 1202 NE ARG A 123 0.705 11.499 -2.096 1.00 24.54 N ATOM 1203 CZ ARG A 123 1.781 11.258 -2.846 1.00 24.14 C ATOM 1204 NH1 ARG A 123 2.988 11.231 -2.298 1.00 2.20 N ATOM 1205 NH2 ARG A 123 1.653 11.035 -4.148 1.00 0.45 N ATOM 0 H ARG A 123 -1.657 10.031 2.249 1.00 50.54 H new ATOM 0 HA ARG A 123 -2.056 12.774 2.899 1.00 33.21 H new ATOM 0 HB2 ARG A 123 -0.352 13.197 1.344 1.00 73.45 H new ATOM 0 HB3 ARG A 123 0.051 11.629 2.016 1.00 73.45 H new ATOM 0 HG2 ARG A 123 -0.858 10.504 0.031 1.00 50.32 H new ATOM 0 HG3 ARG A 123 -1.384 12.039 -0.631 1.00 50.32 H new ATOM 0 HD2 ARG A 123 1.090 12.775 -0.478 1.00 0.21 H new ATOM 0 HD3 ARG A 123 1.463 11.088 -0.186 1.00 0.21 H new ATOM 0 HE ARG A 123 -0.205 11.504 -2.557 1.00 24.54 H new ATOM 0 HH11 ARG A 123 3.098 11.395 -1.297 1.00 2.20 H new ATOM 0 HH12 ARG A 123 3.807 11.046 -2.877 1.00 2.20 H new ATOM 0 HH21 ARG A 123 0.729 11.048 -4.579 1.00 0.45 H new ATOM 0 HH22 ARG A 123 2.479 10.851 -4.718 1.00 0.45 H new ATOM 1219 N SER A 124 -3.862 11.538 0.541 1.00 73.04 N ATOM 1220 CA SER A 124 -4.972 11.806 -0.359 1.00 71.34 C ATOM 1221 C SER A 124 -6.158 12.373 0.416 1.00 1.41 C ATOM 1222 O SER A 124 -6.935 13.173 -0.111 1.00 64.22 O ATOM 1223 CB SER A 124 -5.372 10.519 -1.080 1.00 50.54 C ATOM 1224 OG SER A 124 -6.407 10.741 -2.022 1.00 12.42 O ATOM 0 H SER A 124 -3.699 10.548 0.724 1.00 73.04 H new ATOM 0 HA SER A 124 -4.661 12.545 -1.098 1.00 71.34 H new ATOM 0 HB2 SER A 124 -4.502 10.102 -1.588 1.00 50.54 H new ATOM 0 HB3 SER A 124 -5.699 9.780 -0.349 1.00 50.54 H new ATOM 0 HG SER A 124 -6.094 10.492 -2.917 1.00 12.42 H new ATOM 1230 N PHE A 125 -6.282 11.967 1.674 1.00 32.31 N ATOM 1231 CA PHE A 125 -7.365 12.437 2.523 1.00 52.40 C ATOM 1232 C PHE A 125 -6.987 13.755 3.188 1.00 63.33 C ATOM 1233 O PHE A 125 -7.663 14.769 3.011 1.00 54.52 O ATOM 1234 CB PHE A 125 -7.711 11.398 3.593 1.00 23.43 C ATOM 1235 CG PHE A 125 -8.220 10.095 3.043 1.00 70.22 C ATOM 1236 CD1 PHE A 125 -9.404 10.044 2.324 1.00 12.52 C ATOM 1237 CD2 PHE A 125 -7.524 8.919 3.262 1.00 20.11 C ATOM 1238 CE1 PHE A 125 -9.881 8.844 1.835 1.00 12.12 C ATOM 1239 CE2 PHE A 125 -7.995 7.717 2.771 1.00 52.31 C ATOM 1240 CZ PHE A 125 -9.176 7.680 2.058 1.00 23.45 C ATOM 0 H PHE A 125 -5.644 11.313 2.127 1.00 32.31 H new ATOM 0 HA PHE A 125 -8.241 12.593 1.893 1.00 52.40 H new ATOM 0 HB2 PHE A 125 -6.824 11.204 4.195 1.00 23.43 H new ATOM 0 HB3 PHE A 125 -8.464 11.817 4.261 1.00 23.43 H new ATOM 0 HD1 PHE A 125 -9.959 10.953 2.144 1.00 12.52 H new ATOM 0 HD2 PHE A 125 -6.602 8.941 3.823 1.00 20.11 H new ATOM 0 HE1 PHE A 125 -10.806 8.817 1.278 1.00 12.12 H new ATOM 0 HE2 PHE A 125 -7.440 6.807 2.945 1.00 52.31 H new ATOM 0 HZ PHE A 125 -9.548 6.741 1.675 1.00 23.45 H new ATOM 1250 N ILE A 126 -5.895 13.746 3.939 1.00 1.24 N ATOM 1251 CA ILE A 126 -5.477 14.934 4.666 1.00 75.24 C ATOM 1252 C ILE A 126 -4.031 15.292 4.354 1.00 43.44 C ATOM 1253 O ILE A 126 -3.157 14.423 4.280 1.00 43.54 O ATOM 1254 CB ILE A 126 -5.644 14.802 6.206 1.00 65.14 C ATOM 1255 CG1 ILE A 126 -4.717 13.721 6.799 1.00 3.41 C ATOM 1256 CG2 ILE A 126 -7.095 14.521 6.569 1.00 63.23 C ATOM 1257 CD1 ILE A 126 -5.168 12.292 6.563 1.00 4.13 C ATOM 0 H ILE A 126 -5.287 12.936 4.060 1.00 1.24 H new ATOM 0 HA ILE A 126 -6.140 15.730 4.325 1.00 75.24 H new ATOM 0 HB ILE A 126 -5.352 15.756 6.644 1.00 65.14 H new ATOM 0 HG12 ILE A 126 -3.720 13.846 6.376 1.00 3.41 H new ATOM 0 HG13 ILE A 126 -4.631 13.887 7.873 1.00 3.41 H new ATOM 0 HG21 ILE A 126 -7.189 14.432 7.651 1.00 63.23 H new ATOM 0 HG22 ILE A 126 -7.723 15.339 6.216 1.00 63.23 H new ATOM 0 HG23 ILE A 126 -7.414 13.590 6.100 1.00 63.23 H new ATOM 0 HD11 ILE A 126 -4.453 11.605 7.016 1.00 4.13 H new ATOM 0 HD12 ILE A 126 -6.150 12.142 7.011 1.00 4.13 H new ATOM 0 HD13 ILE A 126 -5.225 12.101 5.491 1.00 4.13 H new ATOM 1269 N GLN A 127 -3.785 16.575 4.160 1.00 23.41 N ATOM 1270 CA GLN A 127 -2.439 17.075 3.945 1.00 31.33 C ATOM 1271 C GLN A 127 -2.267 18.448 4.558 1.00 14.24 C ATOM 1272 O GLN A 127 -3.129 19.319 4.428 1.00 25.42 O ATOM 1273 CB GLN A 127 -2.083 17.130 2.460 1.00 1.35 C ATOM 1274 CG GLN A 127 -1.409 15.870 1.951 1.00 50.42 C ATOM 1275 CD GLN A 127 -0.172 15.506 2.752 1.00 72.43 C ATOM 1276 OE1 GLN A 127 0.936 15.942 2.450 1.00 1.23 O ATOM 1277 NE2 GLN A 127 -0.361 14.702 3.785 1.00 45.13 N ATOM 0 H GLN A 127 -4.507 17.295 4.147 1.00 23.41 H new ATOM 0 HA GLN A 127 -1.761 16.376 4.434 1.00 31.33 H new ATOM 0 HB2 GLN A 127 -2.991 17.305 1.883 1.00 1.35 H new ATOM 0 HB3 GLN A 127 -1.425 17.981 2.284 1.00 1.35 H new ATOM 0 HG2 GLN A 127 -2.118 15.043 1.988 1.00 50.42 H new ATOM 0 HG3 GLN A 127 -1.133 16.007 0.905 1.00 50.42 H new ATOM 0 HE21 GLN A 127 -1.298 14.362 4.002 1.00 45.13 H new ATOM 0 HE22 GLN A 127 0.430 14.422 4.365 1.00 45.13 H new ATOM 1286 N PHE A 128 -1.149 18.622 5.236 1.00 32.23 N ATOM 1287 CA PHE A 128 -0.792 19.897 5.831 1.00 10.41 C ATOM 1288 C PHE A 128 0.518 20.375 5.218 1.00 70.20 C ATOM 1289 O PHE A 128 1.207 21.236 5.763 1.00 41.12 O ATOM 1290 CB PHE A 128 -0.651 19.750 7.352 1.00 35.14 C ATOM 1291 CG PHE A 128 -1.901 19.266 8.033 1.00 32.11 C ATOM 1292 CD1 PHE A 128 -2.217 17.917 8.056 1.00 44.13 C ATOM 1293 CD2 PHE A 128 -2.756 20.159 8.653 1.00 51.24 C ATOM 1294 CE1 PHE A 128 -3.363 17.469 8.683 1.00 43.04 C ATOM 1295 CE2 PHE A 128 -3.904 19.719 9.284 1.00 45.14 C ATOM 1296 CZ PHE A 128 -4.208 18.370 9.299 1.00 41.43 C ATOM 0 H PHE A 128 -0.462 17.884 5.390 1.00 32.23 H new ATOM 0 HA PHE A 128 -1.575 20.629 5.633 1.00 10.41 H new ATOM 0 HB2 PHE A 128 0.161 19.055 7.567 1.00 35.14 H new ATOM 0 HB3 PHE A 128 -0.367 20.713 7.776 1.00 35.14 H new ATOM 0 HD1 PHE A 128 -1.559 17.207 7.578 1.00 44.13 H new ATOM 0 HD2 PHE A 128 -2.523 21.214 8.644 1.00 51.24 H new ATOM 0 HE1 PHE A 128 -3.598 16.415 8.691 1.00 43.04 H new ATOM 0 HE2 PHE A 128 -4.563 20.427 9.765 1.00 45.14 H new ATOM 0 HZ PHE A 128 -5.104 18.022 9.791 1.00 41.43 H new ATOM 1306 N LYS A 129 0.833 19.806 4.061 1.00 61.24 N ATOM 1307 CA LYS A 129 2.096 20.048 3.390 1.00 62.53 C ATOM 1308 C LYS A 129 1.920 19.791 1.897 1.00 50.53 C ATOM 1309 O LYS A 129 0.851 19.345 1.468 1.00 3.14 O ATOM 1310 CB LYS A 129 3.165 19.112 3.974 1.00 14.21 C ATOM 1311 CG LYS A 129 4.594 19.460 3.585 1.00 41.03 C ATOM 1312 CD LYS A 129 5.007 20.814 4.135 1.00 52.32 C ATOM 1313 CE LYS A 129 4.951 20.843 5.655 1.00 45.21 C ATOM 1314 NZ LYS A 129 5.317 22.173 6.196 1.00 64.02 N ATOM 0 H LYS A 129 0.216 19.163 3.564 1.00 61.24 H new ATOM 0 HA LYS A 129 2.413 21.080 3.539 1.00 62.53 H new ATOM 0 HB2 LYS A 129 3.085 19.125 5.061 1.00 14.21 H new ATOM 0 HB3 LYS A 129 2.952 18.093 3.651 1.00 14.21 H new ATOM 0 HG2 LYS A 129 5.271 18.692 3.959 1.00 41.03 H new ATOM 0 HG3 LYS A 129 4.686 19.464 2.499 1.00 41.03 H new ATOM 0 HD2 LYS A 129 6.018 21.049 3.803 1.00 52.32 H new ATOM 0 HD3 LYS A 129 4.352 21.586 3.732 1.00 52.32 H new ATOM 0 HE2 LYS A 129 3.946 20.580 5.986 1.00 45.21 H new ATOM 0 HE3 LYS A 129 5.627 20.089 6.058 1.00 45.21 H new ATOM 0 HZ1 LYS A 129 5.267 22.151 7.235 1.00 64.02 H new ATOM 0 HZ2 LYS A 129 6.285 22.413 5.901 1.00 64.02 H new ATOM 0 HZ3 LYS A 129 4.657 22.889 5.832 1.00 64.02 H new ATOM 1328 N ASP A 130 2.949 20.095 1.112 1.00 52.30 N ATOM 1329 CA ASP A 130 2.967 19.749 -0.306 1.00 1.54 C ATOM 1330 C ASP A 130 2.807 18.243 -0.457 1.00 44.23 C ATOM 1331 O ASP A 130 2.032 17.763 -1.285 1.00 41.02 O ATOM 1332 CB ASP A 130 4.283 20.189 -0.954 1.00 45.25 C ATOM 1333 CG ASP A 130 4.568 21.666 -0.770 1.00 41.12 C ATOM 1334 OD1 ASP A 130 4.932 22.069 0.357 1.00 52.35 O ATOM 1335 OD2 ASP A 130 4.442 22.430 -1.747 1.00 61.43 O ATOM 0 H ASP A 130 3.785 20.582 1.435 1.00 52.30 H new ATOM 0 HA ASP A 130 2.145 20.264 -0.803 1.00 1.54 H new ATOM 0 HB2 ASP A 130 5.103 19.610 -0.528 1.00 45.25 H new ATOM 0 HB3 ASP A 130 4.251 19.960 -2.019 1.00 45.25 H new ATOM 1340 N GLY A 131 3.562 17.509 0.360 1.00 42.31 N ATOM 1341 CA GLY A 131 3.436 16.064 0.416 1.00 2.15 C ATOM 1342 C GLY A 131 4.008 15.365 -0.798 1.00 20.13 C ATOM 1343 O GLY A 131 3.857 14.154 -0.950 1.00 63.34 O ATOM 0 H GLY A 131 4.265 17.897 0.989 1.00 42.31 H new ATOM 0 HA2 GLY A 131 3.941 15.697 1.309 1.00 2.15 H new ATOM 0 HA3 GLY A 131 2.383 15.802 0.515 1.00 2.15 H new ATOM 1347 N ALA A 132 4.675 16.115 -1.658 1.00 12.24 N ATOM 1348 CA ALA A 132 5.211 15.562 -2.887 1.00 33.44 C ATOM 1349 C ALA A 132 6.544 16.204 -3.239 1.00 4.43 C ATOM 1350 O ALA A 132 6.871 17.289 -2.756 1.00 20.32 O ATOM 1351 CB ALA A 132 4.216 15.755 -4.025 1.00 73.11 C ATOM 0 H ALA A 132 4.858 17.110 -1.526 1.00 12.24 H new ATOM 0 HA ALA A 132 5.378 14.495 -2.737 1.00 33.44 H new ATOM 0 HB1 ALA A 132 4.628 15.336 -4.943 1.00 73.11 H new ATOM 0 HB2 ALA A 132 3.282 15.248 -3.782 1.00 73.11 H new ATOM 0 HB3 ALA A 132 4.025 16.819 -4.165 1.00 73.11 H new ATOM 1357 N VAL A 133 7.315 15.509 -4.058 1.00 71.02 N ATOM 1358 CA VAL A 133 8.557 16.041 -4.593 1.00 24.32 C ATOM 1359 C VAL A 133 8.529 15.951 -6.113 1.00 0.30 C ATOM 1360 O VAL A 133 8.251 14.886 -6.676 1.00 52.11 O ATOM 1361 CB VAL A 133 9.801 15.302 -4.039 1.00 44.20 C ATOM 1362 CG1 VAL A 133 10.007 15.633 -2.570 1.00 62.10 C ATOM 1363 CG2 VAL A 133 9.673 13.794 -4.224 1.00 23.53 C ATOM 0 H VAL A 133 7.099 14.562 -4.370 1.00 71.02 H new ATOM 0 HA VAL A 133 8.638 17.082 -4.279 1.00 24.32 H new ATOM 0 HB VAL A 133 10.670 15.642 -4.603 1.00 44.20 H new ATOM 0 HG11 VAL A 133 10.885 15.105 -2.198 1.00 62.10 H new ATOM 0 HG12 VAL A 133 10.154 16.707 -2.456 1.00 62.10 H new ATOM 0 HG13 VAL A 133 9.130 15.324 -2.001 1.00 62.10 H new ATOM 0 HG21 VAL A 133 10.560 13.302 -3.826 1.00 23.53 H new ATOM 0 HG22 VAL A 133 8.791 13.436 -3.693 1.00 23.53 H new ATOM 0 HG23 VAL A 133 9.576 13.565 -5.285 1.00 23.53 H new ATOM 1373 N LEU A 134 8.775 17.070 -6.775 1.00 55.14 N ATOM 1374 CA LEU A 134 8.689 17.125 -8.226 1.00 53.04 C ATOM 1375 C LEU A 134 9.990 16.679 -8.877 1.00 25.54 C ATOM 1376 O LEU A 134 10.850 17.493 -9.220 1.00 53.33 O ATOM 1377 CB LEU A 134 8.307 18.531 -8.691 1.00 71.42 C ATOM 1378 CG LEU A 134 6.913 18.996 -8.256 1.00 74.50 C ATOM 1379 CD1 LEU A 134 6.642 20.405 -8.751 1.00 23.25 C ATOM 1380 CD2 LEU A 134 5.845 18.038 -8.766 1.00 55.45 C ATOM 0 H LEU A 134 9.035 17.951 -6.332 1.00 55.14 H new ATOM 0 HA LEU A 134 7.907 16.433 -8.539 1.00 53.04 H new ATOM 0 HB2 LEU A 134 9.045 19.237 -8.311 1.00 71.42 H new ATOM 0 HB3 LEU A 134 8.363 18.566 -9.779 1.00 71.42 H new ATOM 0 HG LEU A 134 6.879 19.001 -7.167 1.00 74.50 H new ATOM 0 HD11 LEU A 134 5.648 20.718 -8.432 1.00 23.25 H new ATOM 0 HD12 LEU A 134 7.386 21.085 -8.337 1.00 23.25 H new ATOM 0 HD13 LEU A 134 6.697 20.425 -9.839 1.00 23.25 H new ATOM 0 HD21 LEU A 134 4.862 18.385 -8.447 1.00 55.45 H new ATOM 0 HD22 LEU A 134 5.880 18.000 -9.855 1.00 55.45 H new ATOM 0 HD23 LEU A 134 6.027 17.042 -8.362 1.00 55.45 H new ATOM 1392 N SER A 135 10.133 15.376 -9.010 1.00 43.32 N ATOM 1393 CA SER A 135 11.261 14.786 -9.701 1.00 4.21 C ATOM 1394 C SER A 135 10.796 14.254 -11.051 1.00 5.11 C ATOM 1395 O SER A 135 9.590 14.114 -11.276 1.00 24.13 O ATOM 1396 CB SER A 135 11.850 13.656 -8.854 1.00 55.44 C ATOM 1397 OG SER A 135 12.213 14.120 -7.563 1.00 74.15 O ATOM 0 H SER A 135 9.469 14.695 -8.641 1.00 43.32 H new ATOM 0 HA SER A 135 12.034 15.538 -9.861 1.00 4.21 H new ATOM 0 HB2 SER A 135 11.123 12.849 -8.762 1.00 55.44 H new ATOM 0 HB3 SER A 135 12.725 13.241 -9.354 1.00 55.44 H new ATOM 0 HG SER A 135 12.585 13.378 -7.041 1.00 74.15 H new ATOM 1403 N PRO A 136 11.724 13.961 -11.978 1.00 12.02 N ATOM 1404 CA PRO A 136 11.380 13.372 -13.273 1.00 74.40 C ATOM 1405 C PRO A 136 10.901 11.929 -13.131 1.00 31.01 C ATOM 1406 O PRO A 136 11.602 10.985 -13.497 1.00 35.43 O ATOM 1407 CB PRO A 136 12.689 13.438 -14.063 1.00 21.03 C ATOM 1408 CG PRO A 136 13.758 13.474 -13.027 1.00 34.54 C ATOM 1409 CD PRO A 136 13.174 14.203 -11.849 1.00 31.41 C ATOM 0 HA PRO A 136 10.560 13.899 -13.760 1.00 74.40 H new ATOM 0 HB2 PRO A 136 12.801 12.573 -14.716 1.00 21.03 H new ATOM 0 HB3 PRO A 136 12.724 14.323 -14.698 1.00 21.03 H new ATOM 0 HG2 PRO A 136 14.064 12.466 -12.748 1.00 34.54 H new ATOM 0 HG3 PRO A 136 14.645 13.985 -13.400 1.00 34.54 H new ATOM 0 HD2 PRO A 136 13.563 13.818 -10.906 1.00 31.41 H new ATOM 0 HD3 PRO A 136 13.408 15.267 -11.880 1.00 31.41 H new ATOM 1417 N LEU A 137 9.710 11.769 -12.572 1.00 43.11 N ATOM 1418 CA LEU A 137 9.135 10.454 -12.346 1.00 31.45 C ATOM 1419 C LEU A 137 8.289 10.032 -13.543 1.00 23.12 C ATOM 1420 O LEU A 137 8.019 8.847 -13.740 1.00 74.23 O ATOM 1421 CB LEU A 137 8.323 10.446 -11.039 1.00 50.44 C ATOM 1422 CG LEU A 137 7.290 11.571 -10.879 1.00 71.44 C ATOM 1423 CD1 LEU A 137 5.944 11.165 -11.463 1.00 14.24 C ATOM 1424 CD2 LEU A 137 7.149 11.964 -9.414 1.00 42.10 C ATOM 0 H LEU A 137 9.120 12.542 -12.265 1.00 43.11 H new ATOM 0 HA LEU A 137 9.938 9.725 -12.240 1.00 31.45 H new ATOM 0 HB2 LEU A 137 7.804 9.490 -10.963 1.00 50.44 H new ATOM 0 HB3 LEU A 137 9.019 10.498 -10.202 1.00 50.44 H new ATOM 0 HG LEU A 137 7.646 12.439 -11.434 1.00 71.44 H new ATOM 0 HD11 LEU A 137 5.232 11.980 -11.336 1.00 14.24 H new ATOM 0 HD12 LEU A 137 6.059 10.946 -12.524 1.00 14.24 H new ATOM 0 HD13 LEU A 137 5.576 10.278 -10.947 1.00 14.24 H new ATOM 0 HD21 LEU A 137 6.413 12.762 -9.321 1.00 42.10 H new ATOM 0 HD22 LEU A 137 6.823 11.100 -8.835 1.00 42.10 H new ATOM 0 HD23 LEU A 137 8.111 12.311 -9.036 1.00 42.10 H new ATOM 1436 N LYS A 138 7.879 11.012 -14.341 1.00 4.50 N ATOM 1437 CA LYS A 138 7.203 10.744 -15.602 1.00 23.11 C ATOM 1438 C LYS A 138 8.191 10.938 -16.743 1.00 23.44 C ATOM 1439 O LYS A 138 8.520 12.071 -17.102 1.00 24.02 O ATOM 1440 CB LYS A 138 5.998 11.671 -15.794 1.00 63.51 C ATOM 1441 CG LYS A 138 4.902 11.481 -14.757 1.00 41.12 C ATOM 1442 CD LYS A 138 3.742 12.433 -14.994 1.00 41.02 C ATOM 1443 CE LYS A 138 2.676 12.299 -13.917 1.00 53.41 C ATOM 1444 NZ LYS A 138 2.072 10.940 -13.889 1.00 32.54 N ATOM 0 H LYS A 138 8.005 12.003 -14.134 1.00 4.50 H new ATOM 0 HA LYS A 138 6.836 9.718 -15.592 1.00 23.11 H new ATOM 0 HB2 LYS A 138 6.339 12.706 -15.762 1.00 63.51 H new ATOM 0 HB3 LYS A 138 5.579 11.504 -16.786 1.00 63.51 H new ATOM 0 HG2 LYS A 138 4.543 10.452 -14.790 1.00 41.12 H new ATOM 0 HG3 LYS A 138 5.311 11.644 -13.760 1.00 41.12 H new ATOM 0 HD2 LYS A 138 4.111 13.458 -15.015 1.00 41.02 H new ATOM 0 HD3 LYS A 138 3.300 12.233 -15.970 1.00 41.02 H new ATOM 0 HE2 LYS A 138 3.115 12.519 -12.944 1.00 53.41 H new ATOM 0 HE3 LYS A 138 1.894 13.039 -14.088 1.00 53.41 H new ATOM 0 HZ1 LYS A 138 1.252 10.938 -13.250 1.00 32.54 H new ATOM 0 HZ2 LYS A 138 1.765 10.677 -14.847 1.00 32.54 H new ATOM 0 HZ3 LYS A 138 2.777 10.254 -13.551 1.00 32.54 H new ATOM 1458 N PRO A 139 8.700 9.841 -17.311 1.00 0.44 N ATOM 1459 CA PRO A 139 9.707 9.892 -18.356 1.00 31.35 C ATOM 1460 C PRO A 139 9.095 10.179 -19.722 1.00 24.44 C ATOM 1461 O PRO A 139 8.520 9.294 -20.354 1.00 11.54 O ATOM 1462 CB PRO A 139 10.344 8.495 -18.335 1.00 14.33 C ATOM 1463 CG PRO A 139 9.554 7.677 -17.357 1.00 14.11 C ATOM 1464 CD PRO A 139 8.319 8.464 -17.004 1.00 61.14 C ATOM 0 HA PRO A 139 10.427 10.692 -18.184 1.00 31.35 H new ATOM 0 HB2 PRO A 139 10.319 8.043 -19.327 1.00 14.33 H new ATOM 0 HB3 PRO A 139 11.391 8.551 -18.036 1.00 14.33 H new ATOM 0 HG2 PRO A 139 9.284 6.714 -17.792 1.00 14.11 H new ATOM 0 HG3 PRO A 139 10.145 7.470 -16.465 1.00 14.11 H new ATOM 0 HD2 PRO A 139 7.457 8.145 -17.590 1.00 61.14 H new ATOM 0 HD3 PRO A 139 8.052 8.345 -15.954 1.00 61.14 H new ATOM 1472 N ALA A 140 9.192 11.425 -20.151 1.00 14.01 N ATOM 1473 CA ALA A 140 8.694 11.824 -21.453 1.00 30.43 C ATOM 1474 C ALA A 140 9.696 12.746 -22.132 1.00 13.21 C ATOM 1475 O ALA A 140 9.533 13.978 -22.041 1.00 37.58 O ATOM 1476 CB ALA A 140 7.336 12.498 -21.321 1.00 12.55 C ATOM 1477 OXT ALA A 140 10.674 12.233 -22.713 1.00 37.58 O ATOM 0 H ALA A 140 9.614 12.181 -19.612 1.00 14.01 H new ATOM 0 HA ALA A 140 8.568 10.935 -22.071 1.00 30.43 H new ATOM 0 HB1 ALA A 140 6.978 12.791 -22.308 1.00 12.55 H new ATOM 0 HB2 ALA A 140 6.628 11.804 -20.869 1.00 12.55 H new ATOM 0 HB3 ALA A 140 7.429 13.383 -20.691 1.00 12.55 H new TER 1483 ALA A 140