USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 23 CYS SG : rot 111:sc= -13.2! USER MOD Set 1.2: A 47 CYS SG : rot -137:sc= -15.1! USER MOD Single : A 1 ASP N :NH3+ 168:sc= 0.00809 (180deg=-0.195) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= -0.838! (180deg=-0.961!) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.374 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 150:sc= -0.672 USER MOD Single : A 32 TYR OH : rot -80:sc= 0.0399 USER MOD Single : A 33 ASN : amide:sc= -0.304 K(o=-0.3,f=-6.5!) USER MOD Single : A 34 ASN : amide:sc= -0.875 K(o=-0.87,f=-2) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 98:sc= -0.35 USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.0183 (180deg=-0.256) USER MOD Single : A 38 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.073) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -11.5! C(o=-11!,f=-23!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -4.46 K(o=-4.5,f=-8.4!) USER MOD Single : A 53 ASN : amide:sc= -4.73! C(o=-4.7!,f=-5.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= -0.158 (180deg=-1.05) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.205 K(o=0.2,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA ASP A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C ASP A 1 3.600 -0.164 -0.901 1.00 1.00 C ATOM 4 O ASP A 1 4.286 0.856 -0.748 1.00 1.00 O ATOM 5 CB ASP A 1 1.943 1.318 -1.989 1.00 1.00 C ATOM 6 CG ASP A 1 1.461 2.494 -1.138 1.00 1.00 C ATOM 7 OD1 ASP A 1 0.252 2.684 -0.937 1.00 1.00 O ATOM 8 OD2 ASP A 1 2.397 3.246 -0.666 1.00 1.00 O ATOM 0 H1 ASP A 1 0.373 0.311 -0.198 1.00 1.00 H new ATOM 0 H2 ASP A 1 1.327 -0.961 0.398 1.00 1.00 H new ATOM 0 H3 ASP A 1 1.784 0.649 0.684 1.00 1.00 H new ATOM 0 HA ASP A 1 1.758 -0.822 -1.852 1.00 1.00 H new ATOM 0 HB2 ASP A 1 2.897 1.585 -2.444 1.00 1.00 H new ATOM 0 HB3 ASP A 1 1.234 1.163 -2.802 1.00 1.00 H new ATOM 13 N TYR A 2 4.058 -1.425 -0.798 1.00 1.00 N ATOM 14 CA TYR A 2 5.458 -1.649 -0.480 1.00 1.00 C ATOM 15 C TYR A 2 6.148 -2.309 -1.676 1.00 1.00 C ATOM 16 O TYR A 2 6.749 -3.377 -1.484 1.00 1.00 O ATOM 17 CB TYR A 2 5.573 -2.506 0.794 1.00 1.00 C ATOM 18 CG TYR A 2 4.339 -3.340 1.108 1.00 1.00 C ATOM 19 CD1 TYR A 2 3.114 -2.711 1.431 1.00 1.00 C ATOM 20 CD2 TYR A 2 4.415 -4.751 1.083 1.00 1.00 C ATOM 21 CE1 TYR A 2 1.974 -3.489 1.725 1.00 1.00 C ATOM 22 CE2 TYR A 2 3.274 -5.529 1.377 1.00 1.00 C ATOM 23 CZ TYR A 2 2.053 -4.899 1.697 1.00 1.00 C ATOM 24 OH TYR A 2 0.951 -5.655 1.980 1.00 1.00 O ATOM 0 H TYR A 2 3.496 -2.267 -0.926 1.00 1.00 H new ATOM 0 HA TYR A 2 5.957 -0.700 -0.283 1.00 1.00 H new ATOM 0 HB2 TYR A 2 6.430 -3.172 0.692 1.00 1.00 H new ATOM 0 HB3 TYR A 2 5.778 -1.850 1.640 1.00 1.00 H new ATOM 0 HD1 TYR A 2 3.051 -1.633 1.453 1.00 1.00 H new ATOM 0 HD2 TYR A 2 5.349 -5.236 0.838 1.00 1.00 H new ATOM 0 HE1 TYR A 2 1.040 -3.006 1.972 1.00 1.00 H new ATOM 0 HE2 TYR A 2 3.336 -6.607 1.357 1.00 1.00 H new ATOM 0 HH TYR A 2 1.181 -6.605 1.914 1.00 1.00 H new ATOM 34 N LYS A 3 6.044 -1.685 -2.862 1.00 1.00 N ATOM 35 CA LYS A 3 6.646 -2.221 -4.070 1.00 1.00 C ATOM 36 C LYS A 3 6.448 -1.229 -5.218 1.00 1.00 C ATOM 37 O LYS A 3 7.409 -0.993 -5.965 1.00 1.00 O ATOM 38 CB LYS A 3 6.100 -3.620 -4.365 1.00 1.00 C ATOM 39 CG LYS A 3 4.876 -3.549 -5.279 1.00 1.00 C ATOM 40 CD LYS A 3 4.291 -4.942 -5.523 1.00 1.00 C ATOM 41 CE LYS A 3 5.354 -5.893 -6.077 1.00 1.00 C ATOM 42 NZ LYS A 3 4.762 -7.206 -6.381 1.00 1.00 N ATOM 0 H LYS A 3 5.544 -0.806 -2.998 1.00 1.00 H new ATOM 0 HA LYS A 3 7.721 -2.344 -3.937 1.00 1.00 H new ATOM 0 HB2 LYS A 3 6.875 -4.225 -4.836 1.00 1.00 H new ATOM 0 HB3 LYS A 3 5.833 -4.114 -3.431 1.00 1.00 H new ATOM 0 HG2 LYS A 3 4.119 -2.907 -4.829 1.00 1.00 H new ATOM 0 HG3 LYS A 3 5.154 -3.096 -6.231 1.00 1.00 H new ATOM 0 HD2 LYS A 3 3.891 -5.341 -4.591 1.00 1.00 H new ATOM 0 HD3 LYS A 3 3.459 -4.873 -6.223 1.00 1.00 H new ATOM 0 HE2 LYS A 3 5.796 -5.469 -6.979 1.00 1.00 H new ATOM 0 HE3 LYS A 3 6.160 -6.010 -5.352 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 5.497 -7.840 -6.756 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 4.362 -7.616 -5.513 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 4.009 -7.092 -7.089 1.00 1.00 H new ATOM 56 N ASP A 4 5.227 -0.678 -5.333 1.00 1.00 N ATOM 57 CA ASP A 4 4.909 0.278 -6.380 1.00 1.00 C ATOM 58 C ASP A 4 5.900 1.443 -6.319 1.00 1.00 C ATOM 59 O ASP A 4 6.518 1.637 -5.262 1.00 1.00 O ATOM 60 CB ASP A 4 3.500 0.847 -6.198 1.00 1.00 C ATOM 61 CG ASP A 4 2.908 1.518 -7.438 1.00 1.00 C ATOM 62 OD1 ASP A 4 2.818 0.907 -8.514 1.00 1.00 O ATOM 63 OD2 ASP A 4 2.525 2.738 -7.268 1.00 1.00 O ATOM 0 H ASP A 4 4.450 -0.886 -4.706 1.00 1.00 H new ATOM 0 HA ASP A 4 4.968 -0.239 -7.338 1.00 1.00 H new ATOM 0 HB2 ASP A 4 2.836 0.040 -5.888 1.00 1.00 H new ATOM 0 HB3 ASP A 4 3.520 1.573 -5.385 1.00 1.00 H new ATOM 68 N ASP A 5 6.030 2.182 -7.436 1.00 1.00 N ATOM 69 CA ASP A 5 6.937 3.314 -7.508 1.00 1.00 C ATOM 70 C ASP A 5 6.157 4.561 -7.929 1.00 1.00 C ATOM 71 O ASP A 5 6.763 5.463 -8.525 1.00 1.00 O ATOM 72 CB ASP A 5 8.038 3.073 -8.543 1.00 1.00 C ATOM 73 CG ASP A 5 9.368 3.769 -8.247 1.00 1.00 C ATOM 74 OD1 ASP A 5 9.409 4.804 -7.565 1.00 1.00 O ATOM 75 OD2 ASP A 5 10.407 3.198 -8.756 1.00 1.00 O ATOM 0 H ASP A 5 5.512 2.005 -8.297 1.00 1.00 H new ATOM 0 HA ASP A 5 7.389 3.447 -6.525 1.00 1.00 H new ATOM 0 HB2 ASP A 5 8.216 2.000 -8.619 1.00 1.00 H new ATOM 0 HB3 ASP A 5 7.680 3.407 -9.517 1.00 1.00 H new ATOM 80 N ASP A 6 4.849 4.587 -7.616 1.00 1.00 N ATOM 81 CA ASP A 6 3.997 5.713 -7.959 1.00 1.00 C ATOM 82 C ASP A 6 3.912 5.837 -9.482 1.00 1.00 C ATOM 83 O ASP A 6 4.168 4.838 -10.170 1.00 1.00 O ATOM 84 CB ASP A 6 4.567 7.023 -7.410 1.00 1.00 C ATOM 85 CG ASP A 6 5.310 6.896 -6.078 1.00 1.00 C ATOM 86 OD1 ASP A 6 4.633 6.350 -5.126 1.00 1.00 O ATOM 87 OD2 ASP A 6 6.477 7.299 -5.958 1.00 1.00 O ATOM 0 H ASP A 6 4.369 3.833 -7.125 1.00 1.00 H new ATOM 0 HA ASP A 6 3.014 5.537 -7.523 1.00 1.00 H new ATOM 0 HB2 ASP A 6 5.248 7.444 -8.150 1.00 1.00 H new ATOM 0 HB3 ASP A 6 3.750 7.734 -7.287 1.00 1.00 H new ATOM 92 N ASP A 7 3.559 7.040 -9.969 1.00 1.00 N ATOM 93 CA ASP A 7 3.442 7.289 -11.396 1.00 1.00 C ATOM 94 C ASP A 7 2.362 6.377 -11.981 1.00 1.00 C ATOM 95 O ASP A 7 1.220 6.836 -12.130 1.00 1.00 O ATOM 96 CB ASP A 7 4.757 6.986 -12.117 1.00 1.00 C ATOM 97 CG ASP A 7 4.620 6.676 -13.609 1.00 1.00 C ATOM 98 OD1 ASP A 7 3.593 7.205 -14.184 1.00 1.00 O ATOM 99 OD2 ASP A 7 5.452 5.965 -14.193 1.00 1.00 O ATOM 0 H ASP A 7 3.352 7.850 -9.384 1.00 1.00 H new ATOM 0 HA ASP A 7 3.187 8.340 -11.536 1.00 1.00 H new ATOM 0 HB2 ASP A 7 5.424 7.840 -11.998 1.00 1.00 H new ATOM 0 HB3 ASP A 7 5.235 6.138 -11.627 1.00 1.00 H new ATOM 104 N LYS A 8 2.737 5.124 -12.297 1.00 1.00 N ATOM 105 CA LYS A 8 1.806 4.161 -12.860 1.00 1.00 C ATOM 106 C LYS A 8 2.562 2.881 -13.222 1.00 1.00 C ATOM 107 O LYS A 8 2.970 2.745 -14.384 1.00 1.00 O ATOM 108 CB LYS A 8 1.043 4.777 -14.034 1.00 1.00 C ATOM 109 CG LYS A 8 -0.424 5.014 -13.671 1.00 1.00 C ATOM 110 CD LYS A 8 -1.130 5.837 -14.750 1.00 1.00 C ATOM 111 CE LYS A 8 -0.647 7.289 -14.735 1.00 1.00 C ATOM 112 NZ LYS A 8 -1.326 8.068 -15.784 1.00 1.00 N ATOM 0 H LYS A 8 3.683 4.766 -12.167 1.00 1.00 H new ATOM 0 HA LYS A 8 1.048 3.888 -12.125 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.508 5.721 -14.319 1.00 1.00 H new ATOM 0 HB3 LYS A 8 1.105 4.117 -14.899 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -0.931 4.057 -13.549 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -0.486 5.532 -12.714 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -0.942 5.397 -15.729 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -2.208 5.807 -14.589 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -0.843 7.734 -13.759 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.431 7.322 -14.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -0.987 9.051 -15.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -1.118 7.652 -16.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -2.353 8.052 -15.619 1.00 1.00 H new ATOM 126 N LEU A 9 2.730 1.982 -12.236 1.00 1.00 N ATOM 127 CA LEU A 9 3.429 0.726 -12.449 1.00 1.00 C ATOM 128 C LEU A 9 2.412 -0.372 -12.767 1.00 1.00 C ATOM 129 O LEU A 9 2.639 -1.522 -12.364 1.00 1.00 O ATOM 130 CB LEU A 9 4.328 0.403 -11.254 1.00 1.00 C ATOM 131 CG LEU A 9 5.832 0.383 -11.532 1.00 1.00 C ATOM 132 CD1 LEU A 9 6.606 1.082 -10.413 1.00 1.00 C ATOM 133 CD2 LEU A 9 6.327 -1.046 -11.765 1.00 1.00 C ATOM 0 H LEU A 9 2.386 2.113 -11.285 1.00 1.00 H new ATOM 0 HA LEU A 9 4.095 0.803 -13.308 1.00 1.00 H new ATOM 0 HB2 LEU A 9 4.133 1.135 -10.470 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.039 -0.571 -10.860 1.00 1.00 H new ATOM 0 HG LEU A 9 6.017 0.942 -12.449 1.00 1.00 H new ATOM 0 HD11 LEU A 9 7.673 1.053 -10.636 1.00 1.00 H new ATOM 0 HD12 LEU A 9 6.279 2.119 -10.337 1.00 1.00 H new ATOM 0 HD13 LEU A 9 6.419 0.572 -9.468 1.00 1.00 H new ATOM 0 HD21 LEU A 9 7.399 -1.032 -11.960 1.00 1.00 H new ATOM 0 HD22 LEU A 9 6.127 -1.649 -10.879 1.00 1.00 H new ATOM 0 HD23 LEU A 9 5.808 -1.476 -12.621 1.00 1.00 H new ATOM 145 N LYS A 10 1.328 -0.002 -13.473 1.00 1.00 N ATOM 146 CA LYS A 10 0.289 -0.949 -13.840 1.00 1.00 C ATOM 147 C LYS A 10 0.854 -1.958 -14.842 1.00 1.00 C ATOM 148 O LYS A 10 1.597 -1.542 -15.743 1.00 1.00 O ATOM 149 CB LYS A 10 -0.953 -0.211 -14.345 1.00 1.00 C ATOM 150 CG LYS A 10 -2.174 -0.540 -13.485 1.00 1.00 C ATOM 151 CD LYS A 10 -3.178 -1.394 -14.262 1.00 1.00 C ATOM 152 CE LYS A 10 -4.003 -2.267 -13.315 1.00 1.00 C ATOM 153 NZ LYS A 10 -5.029 -1.461 -12.633 1.00 1.00 N ATOM 0 H LYS A 10 1.159 0.951 -13.796 1.00 1.00 H new ATOM 0 HA LYS A 10 -0.036 -1.515 -12.967 1.00 1.00 H new ATOM 0 HB2 LYS A 10 -0.773 0.864 -14.330 1.00 1.00 H new ATOM 0 HB3 LYS A 10 -1.148 -0.487 -15.381 1.00 1.00 H new ATOM 0 HG2 LYS A 10 -1.858 -1.071 -12.587 1.00 1.00 H new ATOM 0 HG3 LYS A 10 -2.653 0.383 -13.158 1.00 1.00 H new ATOM 0 HD2 LYS A 10 -3.841 -0.748 -14.838 1.00 1.00 H new ATOM 0 HD3 LYS A 10 -2.649 -2.025 -14.976 1.00 1.00 H new ATOM 0 HE2 LYS A 10 -4.478 -3.073 -13.875 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -3.349 -2.733 -12.578 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -5.714 -2.091 -12.169 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -4.577 -0.856 -11.918 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 -5.522 -0.866 -13.329 1.00 1.00 H new ATOM 167 N PRO A 11 0.498 -3.243 -14.667 1.00 1.00 N ATOM 168 CA PRO A 11 0.947 -4.324 -15.529 1.00 1.00 C ATOM 169 C PRO A 11 0.356 -4.187 -16.933 1.00 1.00 C ATOM 170 O PRO A 11 -0.849 -4.433 -17.092 1.00 1.00 O ATOM 171 CB PRO A 11 0.511 -5.597 -14.822 1.00 1.00 C ATOM 172 CG PRO A 11 -0.566 -5.178 -13.835 1.00 1.00 C ATOM 173 CD PRO A 11 -0.516 -3.664 -13.705 1.00 1.00 C ATOM 0 HA PRO A 11 2.026 -4.319 -15.683 1.00 1.00 H new ATOM 0 HB2 PRO A 11 0.126 -6.327 -15.534 1.00 1.00 H new ATOM 0 HB3 PRO A 11 1.350 -6.066 -14.308 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.548 -5.499 -14.183 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.401 -5.650 -12.866 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -1.484 -3.215 -13.928 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.250 -3.362 -12.692 1.00 1.00 H new ATOM 181 N ASP A 12 1.200 -3.804 -17.907 1.00 1.00 N ATOM 182 CA ASP A 12 0.764 -3.637 -19.283 1.00 1.00 C ATOM 183 C ASP A 12 0.291 -4.985 -19.831 1.00 1.00 C ATOM 184 O ASP A 12 -0.609 -4.993 -20.684 1.00 1.00 O ATOM 185 CB ASP A 12 1.910 -3.144 -20.169 1.00 1.00 C ATOM 186 CG ASP A 12 3.038 -4.153 -20.389 1.00 1.00 C ATOM 187 OD1 ASP A 12 3.780 -4.376 -19.358 1.00 1.00 O ATOM 188 OD2 ASP A 12 3.199 -4.700 -21.491 1.00 1.00 O ATOM 0 H ASP A 12 2.189 -3.606 -17.754 1.00 1.00 H new ATOM 0 HA ASP A 12 -0.042 -2.903 -19.294 1.00 1.00 H new ATOM 0 HB2 ASP A 12 1.503 -2.860 -21.139 1.00 1.00 H new ATOM 0 HB3 ASP A 12 2.331 -2.242 -19.724 1.00 1.00 H new ATOM 193 N PHE A 13 0.895 -6.081 -19.338 1.00 1.00 N ATOM 194 CA PHE A 13 0.538 -7.420 -19.775 1.00 1.00 C ATOM 195 C PHE A 13 -0.960 -7.641 -19.553 1.00 1.00 C ATOM 196 O PHE A 13 -1.553 -8.441 -20.292 1.00 1.00 O ATOM 197 CB PHE A 13 1.366 -8.450 -18.982 1.00 1.00 C ATOM 198 CG PHE A 13 0.953 -8.611 -17.525 1.00 1.00 C ATOM 199 CD1 PHE A 13 -0.267 -9.245 -17.194 1.00 1.00 C ATOM 200 CD2 PHE A 13 1.787 -8.121 -16.494 1.00 1.00 C ATOM 201 CE1 PHE A 13 -0.649 -9.389 -15.843 1.00 1.00 C ATOM 202 CE2 PHE A 13 1.405 -8.265 -15.143 1.00 1.00 C ATOM 203 CZ PHE A 13 0.187 -8.899 -14.818 1.00 1.00 C ATOM 0 H PHE A 13 1.633 -6.053 -18.635 1.00 1.00 H new ATOM 0 HA PHE A 13 0.755 -7.540 -20.836 1.00 1.00 H new ATOM 0 HB2 PHE A 13 1.287 -9.418 -19.477 1.00 1.00 H new ATOM 0 HB3 PHE A 13 2.415 -8.158 -19.018 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -0.909 -9.620 -17.978 1.00 1.00 H new ATOM 0 HD2 PHE A 13 2.719 -7.635 -16.741 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -1.581 -9.874 -15.594 1.00 1.00 H new ATOM 0 HE2 PHE A 13 2.045 -7.890 -14.358 1.00 1.00 H new ATOM 0 HZ PHE A 13 -0.105 -9.009 -13.784 1.00 1.00 H new ATOM 213 N CYS A 14 -1.531 -6.940 -18.558 1.00 1.00 N ATOM 214 CA CYS A 14 -2.945 -7.060 -18.245 1.00 1.00 C ATOM 215 C CYS A 14 -3.770 -6.551 -19.430 1.00 1.00 C ATOM 216 O CYS A 14 -4.807 -7.160 -19.731 1.00 1.00 O ATOM 217 CB CYS A 14 -3.289 -6.319 -16.951 1.00 1.00 C ATOM 218 SG CYS A 14 -2.960 -7.254 -15.428 1.00 1.00 S ATOM 0 H CYS A 14 -1.024 -6.286 -17.962 1.00 1.00 H new ATOM 0 HA CYS A 14 -3.189 -8.109 -18.077 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -2.722 -5.389 -16.920 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -4.345 -6.048 -16.974 1.00 1.00 H new ATOM 224 N PHE A 15 -3.300 -5.464 -20.068 1.00 1.00 N ATOM 225 CA PHE A 15 -3.989 -4.883 -21.207 1.00 1.00 C ATOM 226 C PHE A 15 -3.611 -5.653 -22.474 1.00 1.00 C ATOM 227 O PHE A 15 -4.123 -5.308 -23.549 1.00 1.00 O ATOM 228 CB PHE A 15 -3.598 -3.397 -21.333 1.00 1.00 C ATOM 229 CG PHE A 15 -3.437 -2.668 -20.006 1.00 1.00 C ATOM 230 CD1 PHE A 15 -4.490 -2.661 -19.062 1.00 1.00 C ATOM 231 CD2 PHE A 15 -2.232 -1.989 -19.712 1.00 1.00 C ATOM 232 CE1 PHE A 15 -4.339 -1.980 -17.835 1.00 1.00 C ATOM 233 CE2 PHE A 15 -2.081 -1.309 -18.485 1.00 1.00 C ATOM 234 CZ PHE A 15 -3.134 -1.305 -17.546 1.00 1.00 C ATOM 0 H PHE A 15 -2.443 -4.978 -19.804 1.00 1.00 H new ATOM 0 HA PHE A 15 -5.068 -4.950 -21.068 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -2.662 -3.327 -21.887 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -4.357 -2.884 -21.924 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -5.412 -3.178 -19.281 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -1.424 -1.991 -20.429 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -5.146 -1.976 -17.117 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -1.159 -0.791 -18.265 1.00 1.00 H new ATOM 0 HZ PHE A 15 -3.018 -0.785 -16.606 1.00 1.00 H new ATOM 244 N LEU A 16 -2.736 -6.664 -22.325 1.00 1.00 N ATOM 245 CA LEU A 16 -2.296 -7.473 -23.449 1.00 1.00 C ATOM 246 C LEU A 16 -3.339 -8.556 -23.732 1.00 1.00 C ATOM 247 O LEU A 16 -3.692 -9.292 -22.799 1.00 1.00 O ATOM 248 CB LEU A 16 -0.891 -8.023 -23.195 1.00 1.00 C ATOM 249 CG LEU A 16 0.042 -8.065 -24.407 1.00 1.00 C ATOM 250 CD1 LEU A 16 1.118 -6.982 -24.309 1.00 1.00 C ATOM 251 CD2 LEU A 16 0.646 -9.459 -24.586 1.00 1.00 C ATOM 0 H LEU A 16 -2.326 -6.931 -21.430 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.217 -6.864 -24.349 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -0.420 -7.418 -22.420 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -0.984 -9.034 -22.798 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.547 -7.853 -25.299 1.00 1.00 H new ATOM 0 HD11 LEU A 16 1.767 -7.034 -25.183 1.00 1.00 H new ATOM 0 HD12 LEU A 16 0.644 -6.001 -24.267 1.00 1.00 H new ATOM 0 HD13 LEU A 16 1.710 -7.138 -23.407 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.305 -9.461 -25.454 1.00 1.00 H new ATOM 0 HD22 LEU A 16 1.217 -9.725 -23.696 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -0.153 -10.185 -24.735 1.00 1.00 H new ATOM 263 N GLU A 17 -3.803 -8.631 -24.992 1.00 1.00 N ATOM 264 CA GLU A 17 -4.795 -9.615 -25.390 1.00 1.00 C ATOM 265 C GLU A 17 -4.444 -10.968 -24.766 1.00 1.00 C ATOM 266 O GLU A 17 -3.247 -11.262 -24.631 1.00 1.00 O ATOM 267 CB GLU A 17 -4.899 -9.724 -26.912 1.00 1.00 C ATOM 268 CG GLU A 17 -3.543 -9.470 -27.574 1.00 1.00 C ATOM 269 CD GLU A 17 -3.470 -10.138 -28.949 1.00 1.00 C ATOM 270 OE1 GLU A 17 -4.259 -9.641 -29.840 1.00 1.00 O ATOM 271 OE2 GLU A 17 -2.693 -11.085 -29.137 1.00 1.00 O ATOM 0 H GLU A 17 -3.499 -8.015 -25.746 1.00 1.00 H new ATOM 0 HA GLU A 17 -5.771 -9.294 -25.027 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -5.261 -10.715 -27.185 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -5.629 -9.005 -27.283 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -3.380 -8.397 -27.678 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -2.746 -9.853 -26.937 1.00 1.00 H new ATOM 278 N GLU A 18 -5.477 -11.750 -24.404 1.00 1.00 N ATOM 279 CA GLU A 18 -5.278 -13.057 -23.802 1.00 1.00 C ATOM 280 C GLU A 18 -4.088 -13.748 -24.472 1.00 1.00 C ATOM 281 O GLU A 18 -4.020 -13.736 -25.709 1.00 1.00 O ATOM 282 CB GLU A 18 -6.538 -13.919 -23.900 1.00 1.00 C ATOM 283 CG GLU A 18 -6.565 -14.703 -25.213 1.00 1.00 C ATOM 284 CD GLU A 18 -7.997 -15.080 -25.598 1.00 1.00 C ATOM 285 OE1 GLU A 18 -8.627 -15.791 -24.725 1.00 1.00 O ATOM 286 OE2 GLU A 18 -8.467 -14.704 -26.682 1.00 1.00 O ATOM 0 H GLU A 18 -6.456 -11.488 -24.523 1.00 1.00 H new ATOM 0 HA GLU A 18 -5.066 -12.924 -22.741 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -6.576 -14.611 -23.058 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -7.422 -13.286 -23.832 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -6.117 -14.105 -26.007 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -5.962 -15.605 -25.114 1.00 1.00 H new ATOM 293 N ASP A 19 -3.189 -14.325 -23.655 1.00 1.00 N ATOM 294 CA ASP A 19 -2.015 -15.013 -24.165 1.00 1.00 C ATOM 295 C ASP A 19 -1.930 -16.404 -23.535 1.00 1.00 C ATOM 296 O ASP A 19 -1.372 -16.520 -22.434 1.00 1.00 O ATOM 297 CB ASP A 19 -0.735 -14.254 -23.811 1.00 1.00 C ATOM 298 CG ASP A 19 0.448 -14.508 -24.747 1.00 1.00 C ATOM 299 OD1 ASP A 19 0.151 -15.107 -25.851 1.00 1.00 O ATOM 300 OD2 ASP A 19 1.595 -14.153 -24.438 1.00 1.00 O ATOM 0 H ASP A 19 -3.264 -14.322 -22.638 1.00 1.00 H new ATOM 0 HA ASP A 19 -2.107 -15.079 -25.249 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -0.953 -13.186 -23.807 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -0.440 -14.522 -22.797 1.00 1.00 H new ATOM 305 N PRO A 20 -2.475 -17.416 -24.233 1.00 1.00 N ATOM 306 CA PRO A 20 -2.479 -18.795 -23.777 1.00 1.00 C ATOM 307 C PRO A 20 -1.124 -19.460 -24.028 1.00 1.00 C ATOM 308 O PRO A 20 -0.640 -20.169 -23.134 1.00 1.00 O ATOM 309 CB PRO A 20 -3.615 -19.458 -24.538 1.00 1.00 C ATOM 310 CG PRO A 20 -3.904 -18.556 -25.726 1.00 1.00 C ATOM 311 CD PRO A 20 -3.210 -17.226 -25.480 1.00 1.00 C ATOM 0 HA PRO A 20 -2.634 -18.881 -22.701 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -3.333 -20.458 -24.867 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -4.497 -19.567 -23.907 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -3.542 -19.011 -26.648 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -4.978 -18.411 -25.843 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -2.539 -16.972 -26.300 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -3.931 -16.413 -25.395 1.00 1.00 H new ATOM 319 N GLY A 21 -0.548 -19.221 -25.220 1.00 1.00 N ATOM 320 CA GLY A 21 0.739 -19.792 -25.581 1.00 1.00 C ATOM 321 C GLY A 21 0.685 -20.281 -27.030 1.00 1.00 C ATOM 322 O GLY A 21 0.270 -19.503 -27.901 1.00 1.00 O ATOM 0 H GLY A 21 -0.963 -18.634 -25.943 1.00 1.00 H new ATOM 0 HA2 GLY A 21 1.526 -19.047 -25.465 1.00 1.00 H new ATOM 0 HA3 GLY A 21 0.983 -20.619 -24.914 1.00 1.00 H new ATOM 326 N ILE A 22 1.100 -21.541 -27.256 1.00 1.00 N ATOM 327 CA ILE A 22 1.099 -22.125 -28.586 1.00 1.00 C ATOM 328 C ILE A 22 0.533 -23.545 -28.515 1.00 1.00 C ATOM 329 O ILE A 22 0.916 -24.375 -29.352 1.00 1.00 O ATOM 330 CB ILE A 22 2.496 -22.050 -29.205 1.00 1.00 C ATOM 331 CG1 ILE A 22 3.258 -20.827 -28.692 1.00 1.00 C ATOM 332 CG2 ILE A 22 2.421 -22.080 -30.733 1.00 1.00 C ATOM 333 CD1 ILE A 22 4.705 -20.834 -29.191 1.00 1.00 C ATOM 0 H ILE A 22 1.439 -22.166 -26.525 1.00 1.00 H new ATOM 0 HA ILE A 22 0.450 -21.556 -29.251 1.00 1.00 H new ATOM 0 HB ILE A 22 3.056 -22.932 -28.893 1.00 1.00 H new ATOM 0 HG12 ILE A 22 2.759 -19.917 -29.025 1.00 1.00 H new ATOM 0 HG13 ILE A 22 3.245 -20.817 -27.602 1.00 1.00 H new ATOM 0 HG21 ILE A 22 3.427 -22.025 -31.148 1.00 1.00 H new ATOM 0 HG22 ILE A 22 1.945 -23.006 -31.056 1.00 1.00 H new ATOM 0 HG23 ILE A 22 1.837 -21.230 -31.085 1.00 1.00 H new ATOM 0 HD11 ILE A 22 5.225 -19.954 -28.812 1.00 1.00 H new ATOM 0 HD12 ILE A 22 5.208 -21.733 -28.836 1.00 1.00 H new ATOM 0 HD13 ILE A 22 4.714 -20.820 -30.281 1.00 1.00 H new ATOM 345 N CYS A 23 -0.354 -23.791 -27.534 1.00 1.00 N ATOM 346 CA CYS A 23 -0.964 -25.098 -27.358 1.00 1.00 C ATOM 347 C CYS A 23 -2.443 -24.922 -27.006 1.00 1.00 C ATOM 348 O CYS A 23 -3.053 -23.955 -27.487 1.00 1.00 O ATOM 349 CB CYS A 23 -0.220 -25.917 -26.302 1.00 1.00 C ATOM 350 SG CYS A 23 1.580 -25.670 -26.275 1.00 1.00 S ATOM 0 H CYS A 23 -0.657 -23.092 -26.856 1.00 1.00 H new ATOM 0 HA CYS A 23 -0.894 -25.657 -28.291 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -0.622 -25.668 -25.320 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -0.425 -26.974 -26.471 1.00 1.00 H new ATOM 0 HG CYS A 23 1.916 -25.043 -25.187 1.00 1.00 H new ATOM 356 N ARG A 24 -2.981 -25.843 -26.187 1.00 1.00 N ATOM 357 CA ARG A 24 -4.374 -25.789 -25.777 1.00 1.00 C ATOM 358 C ARG A 24 -4.451 -25.794 -24.249 1.00 1.00 C ATOM 359 O ARG A 24 -4.736 -24.735 -23.670 1.00 1.00 O ATOM 360 CB ARG A 24 -5.169 -26.976 -26.324 1.00 1.00 C ATOM 361 CG ARG A 24 -6.641 -26.608 -26.518 1.00 1.00 C ATOM 362 CD ARG A 24 -7.457 -27.824 -26.962 1.00 1.00 C ATOM 363 NE ARG A 24 -6.860 -29.061 -26.413 1.00 1.00 N ATOM 364 CZ ARG A 24 -5.853 -29.742 -27.001 1.00 1.00 C ATOM 365 NH1 ARG A 24 -5.348 -29.285 -28.155 1.00 1.00 N ATOM 366 NH2 ARG A 24 -5.366 -30.857 -26.440 1.00 1.00 N ATOM 0 H ARG A 24 -2.461 -26.631 -25.801 1.00 1.00 H new ATOM 0 HA ARG A 24 -4.809 -24.874 -26.179 1.00 1.00 H new ATOM 0 HB2 ARG A 24 -4.742 -27.297 -27.274 1.00 1.00 H new ATOM 0 HB3 ARG A 24 -5.089 -27.819 -25.638 1.00 1.00 H new ATOM 0 HG2 ARG A 24 -7.047 -26.214 -25.586 1.00 1.00 H new ATOM 0 HG3 ARG A 24 -6.727 -25.817 -27.263 1.00 1.00 H new ATOM 0 HD2 ARG A 24 -8.487 -27.725 -26.621 1.00 1.00 H new ATOM 0 HD3 ARG A 24 -7.485 -27.876 -28.050 1.00 1.00 H new ATOM 0 HE ARG A 24 -7.232 -29.422 -25.535 1.00 1.00 H new ATOM 0 HH11 ARG A 24 -5.724 -28.435 -28.575 1.00 1.00 H new ATOM 0 HH12 ARG A 24 -4.587 -29.787 -28.613 1.00 1.00 H new ATOM 0 HH21 ARG A 24 -5.756 -31.198 -25.561 1.00 1.00 H new ATOM 0 HH22 ARG A 24 -4.605 -31.365 -26.892 1.00 1.00 H new ATOM 380 N GLY A 25 -4.201 -26.965 -23.636 1.00 1.00 N ATOM 381 CA GLY A 25 -4.242 -27.102 -22.190 1.00 1.00 C ATOM 382 C GLY A 25 -5.150 -26.018 -21.605 1.00 1.00 C ATOM 383 O GLY A 25 -4.622 -25.037 -21.062 1.00 1.00 O ATOM 0 H GLY A 25 -3.969 -27.826 -24.132 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -4.613 -28.090 -21.917 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -3.238 -27.014 -21.776 1.00 1.00 H new ATOM 387 N TYR A 26 -6.475 -26.213 -21.726 1.00 1.00 N ATOM 388 CA TYR A 26 -7.391 -25.218 -21.195 1.00 1.00 C ATOM 389 C TYR A 26 -7.652 -25.509 -19.715 1.00 1.00 C ATOM 390 O TYR A 26 -8.021 -26.651 -19.403 1.00 1.00 O ATOM 391 CB TYR A 26 -8.693 -25.216 -22.017 1.00 1.00 C ATOM 392 CG TYR A 26 -8.509 -24.875 -23.489 1.00 1.00 C ATOM 393 CD1 TYR A 26 -7.339 -24.207 -23.920 1.00 1.00 C ATOM 394 CD2 TYR A 26 -9.499 -25.229 -24.435 1.00 1.00 C ATOM 395 CE1 TYR A 26 -7.163 -23.891 -25.284 1.00 1.00 C ATOM 396 CE2 TYR A 26 -9.322 -24.913 -25.799 1.00 1.00 C ATOM 397 CZ TYR A 26 -8.154 -24.244 -26.225 1.00 1.00 C ATOM 398 OH TYR A 26 -7.980 -23.936 -27.544 1.00 1.00 O ATOM 0 H TYR A 26 -6.912 -27.021 -22.170 1.00 1.00 H new ATOM 0 HA TYR A 26 -6.952 -24.223 -21.272 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -9.158 -26.199 -21.940 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -9.386 -24.500 -21.575 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -6.578 -23.938 -23.203 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -10.393 -25.742 -24.113 1.00 1.00 H new ATOM 0 HE1 TYR A 26 -6.269 -23.379 -25.608 1.00 1.00 H new ATOM 0 HE2 TYR A 26 -10.081 -25.183 -26.518 1.00 1.00 H new ATOM 0 HH TYR A 26 -8.753 -24.249 -28.058 1.00 1.00 H new ATOM 408 N ILE A 27 -7.452 -24.499 -18.850 1.00 1.00 N ATOM 409 CA ILE A 27 -7.656 -24.658 -17.420 1.00 1.00 C ATOM 410 C ILE A 27 -8.644 -23.597 -16.930 1.00 1.00 C ATOM 411 O ILE A 27 -8.598 -23.255 -15.739 1.00 1.00 O ATOM 412 CB ILE A 27 -6.316 -24.639 -16.683 1.00 1.00 C ATOM 413 CG1 ILE A 27 -5.263 -25.453 -17.438 1.00 1.00 C ATOM 414 CG2 ILE A 27 -6.479 -25.113 -15.237 1.00 1.00 C ATOM 415 CD1 ILE A 27 -3.951 -24.675 -17.557 1.00 1.00 C ATOM 0 H ILE A 27 -7.149 -23.566 -19.128 1.00 1.00 H new ATOM 0 HA ILE A 27 -8.098 -25.630 -17.203 1.00 1.00 H new ATOM 0 HB ILE A 27 -5.961 -23.609 -16.646 1.00 1.00 H new ATOM 0 HG12 ILE A 27 -5.086 -26.395 -16.919 1.00 1.00 H new ATOM 0 HG13 ILE A 27 -5.634 -25.701 -18.432 1.00 1.00 H new ATOM 0 HG21 ILE A 27 -5.512 -25.090 -14.735 1.00 1.00 H new ATOM 0 HG22 ILE A 27 -7.174 -24.456 -14.715 1.00 1.00 H new ATOM 0 HG23 ILE A 27 -6.867 -26.131 -15.230 1.00 1.00 H new ATOM 0 HD11 ILE A 27 -3.220 -25.276 -18.098 1.00 1.00 H new ATOM 0 HD12 ILE A 27 -4.127 -23.745 -18.097 1.00 1.00 H new ATOM 0 HD13 ILE A 27 -3.570 -24.449 -16.561 1.00 1.00 H new ATOM 427 N THR A 28 -9.502 -23.106 -17.841 1.00 1.00 N ATOM 428 CA THR A 28 -10.489 -22.094 -17.502 1.00 1.00 C ATOM 429 C THR A 28 -9.814 -20.975 -16.708 1.00 1.00 C ATOM 430 O THR A 28 -10.229 -20.729 -15.565 1.00 1.00 O ATOM 431 CB THR A 28 -11.639 -22.767 -16.748 1.00 1.00 C ATOM 432 OG1 THR A 28 -12.294 -23.551 -17.742 1.00 1.00 O ATOM 433 CG2 THR A 28 -12.707 -21.768 -16.298 1.00 1.00 C ATOM 0 H THR A 28 -9.523 -23.401 -18.817 1.00 1.00 H new ATOM 0 HA THR A 28 -10.912 -21.631 -18.394 1.00 1.00 H new ATOM 0 HB THR A 28 -11.245 -23.293 -15.879 1.00 1.00 H new ATOM 0 HG1 THR A 28 -13.052 -24.023 -17.339 1.00 1.00 H new ATOM 0 HG21 THR A 28 -13.500 -22.297 -15.768 1.00 1.00 H new ATOM 0 HG22 THR A 28 -12.258 -21.029 -15.635 1.00 1.00 H new ATOM 0 HG23 THR A 28 -13.126 -21.266 -17.170 1.00 1.00 H new ATOM 441 N ARG A 29 -8.803 -20.329 -17.317 1.00 1.00 N ATOM 442 CA ARG A 29 -8.080 -19.247 -16.670 1.00 1.00 C ATOM 443 C ARG A 29 -8.785 -17.921 -16.964 1.00 1.00 C ATOM 444 O ARG A 29 -9.799 -17.938 -17.677 1.00 1.00 O ATOM 445 CB ARG A 29 -6.632 -19.167 -17.158 1.00 1.00 C ATOM 446 CG ARG A 29 -5.838 -20.401 -16.726 1.00 1.00 C ATOM 447 CD ARG A 29 -5.794 -20.518 -15.201 1.00 1.00 C ATOM 448 NE ARG A 29 -4.918 -21.643 -14.805 1.00 1.00 N ATOM 449 CZ ARG A 29 -3.569 -21.587 -14.804 1.00 1.00 C ATOM 450 NH1 ARG A 29 -2.965 -20.452 -15.182 1.00 1.00 N ATOM 451 NH2 ARG A 29 -2.845 -22.651 -14.431 1.00 1.00 N ATOM 0 H ARG A 29 -8.476 -20.547 -18.258 1.00 1.00 H new ATOM 0 HA ARG A 29 -8.067 -19.442 -15.598 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -6.615 -19.081 -18.245 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -6.160 -18.269 -16.760 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -6.292 -21.297 -17.150 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -4.823 -20.341 -17.119 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -5.425 -19.589 -14.767 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -6.800 -20.675 -14.811 1.00 1.00 H new ATOM 0 HE ARG A 29 -5.361 -22.515 -14.515 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -3.524 -19.647 -15.465 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.947 -20.393 -15.187 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.313 -23.511 -14.145 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -1.826 -22.601 -14.433 1.00 1.00 H new ATOM 465 N TYR A 30 -8.244 -16.818 -16.418 1.00 1.00 N ATOM 466 CA TYR A 30 -8.868 -15.528 -16.656 1.00 1.00 C ATOM 467 C TYR A 30 -7.818 -14.546 -17.181 1.00 1.00 C ATOM 468 O TYR A 30 -6.626 -14.788 -16.945 1.00 1.00 O ATOM 469 CB TYR A 30 -9.529 -15.021 -15.360 1.00 1.00 C ATOM 470 CG TYR A 30 -10.620 -15.930 -14.811 1.00 1.00 C ATOM 471 CD1 TYR A 30 -10.295 -17.203 -14.289 1.00 1.00 C ATOM 472 CD2 TYR A 30 -11.968 -15.505 -14.826 1.00 1.00 C ATOM 473 CE1 TYR A 30 -11.310 -18.043 -13.784 1.00 1.00 C ATOM 474 CE2 TYR A 30 -12.983 -16.344 -14.321 1.00 1.00 C ATOM 475 CZ TYR A 30 -12.656 -17.614 -13.799 1.00 1.00 C ATOM 476 OH TYR A 30 -13.641 -18.424 -13.310 1.00 1.00 O ATOM 0 H TYR A 30 -7.409 -16.801 -15.833 1.00 1.00 H new ATOM 0 HA TYR A 30 -9.650 -15.622 -17.410 1.00 1.00 H new ATOM 0 HB2 TYR A 30 -8.759 -14.898 -14.598 1.00 1.00 H new ATOM 0 HB3 TYR A 30 -9.955 -14.035 -15.546 1.00 1.00 H new ATOM 0 HD1 TYR A 30 -9.267 -17.533 -14.277 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -12.222 -14.534 -15.226 1.00 1.00 H new ATOM 0 HE1 TYR A 30 -11.058 -19.015 -13.386 1.00 1.00 H new ATOM 0 HE2 TYR A 30 -14.011 -16.014 -14.334 1.00 1.00 H new ATOM 0 HH TYR A 30 -14.368 -17.874 -12.949 1.00 1.00 H new ATOM 486 N PHE A 31 -8.268 -13.487 -17.877 1.00 1.00 N ATOM 487 CA PHE A 31 -7.366 -12.493 -18.435 1.00 1.00 C ATOM 488 C PHE A 31 -8.100 -11.156 -18.557 1.00 1.00 C ATOM 489 O PHE A 31 -9.283 -11.165 -18.929 1.00 1.00 O ATOM 490 CB PHE A 31 -6.872 -12.974 -19.813 1.00 1.00 C ATOM 491 CG PHE A 31 -7.852 -12.744 -20.955 1.00 1.00 C ATOM 492 CD1 PHE A 31 -8.970 -13.597 -21.111 1.00 1.00 C ATOM 493 CD2 PHE A 31 -7.657 -11.676 -21.861 1.00 1.00 C ATOM 494 CE1 PHE A 31 -9.883 -13.383 -22.166 1.00 1.00 C ATOM 495 CE2 PHE A 31 -8.571 -11.463 -22.915 1.00 1.00 C ATOM 496 CZ PHE A 31 -9.683 -12.317 -23.069 1.00 1.00 C ATOM 0 H PHE A 31 -9.255 -13.307 -18.061 1.00 1.00 H new ATOM 0 HA PHE A 31 -6.504 -12.358 -17.782 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.937 -12.465 -20.047 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -6.649 -14.039 -19.753 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -9.125 -14.414 -20.421 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -6.806 -11.021 -21.746 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -10.736 -14.036 -22.282 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.419 -10.646 -23.604 1.00 1.00 H new ATOM 0 HZ PHE A 31 -10.381 -12.155 -23.877 1.00 1.00 H new ATOM 506 N TYR A 32 -7.396 -10.053 -18.247 1.00 1.00 N ATOM 507 CA TYR A 32 -8.037 -8.752 -18.339 1.00 1.00 C ATOM 508 C TYR A 32 -8.154 -8.348 -19.810 1.00 1.00 C ATOM 509 O TYR A 32 -7.117 -8.031 -20.411 1.00 1.00 O ATOM 510 CB TYR A 32 -7.239 -7.719 -17.522 1.00 1.00 C ATOM 511 CG TYR A 32 -8.006 -6.446 -17.193 1.00 1.00 C ATOM 512 CD1 TYR A 32 -8.865 -6.397 -16.070 1.00 1.00 C ATOM 513 CD2 TYR A 32 -7.867 -5.304 -18.015 1.00 1.00 C ATOM 514 CE1 TYR A 32 -9.576 -5.216 -15.772 1.00 1.00 C ATOM 515 CE2 TYR A 32 -8.578 -4.123 -17.716 1.00 1.00 C ATOM 516 CZ TYR A 32 -9.433 -4.077 -16.594 1.00 1.00 C ATOM 517 OH TYR A 32 -10.119 -2.931 -16.308 1.00 1.00 O ATOM 0 H TYR A 32 -6.422 -10.043 -17.943 1.00 1.00 H new ATOM 0 HA TYR A 32 -9.042 -8.797 -17.920 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -6.914 -8.183 -16.591 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -6.339 -7.453 -18.076 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -8.977 -7.266 -15.439 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -7.214 -5.336 -18.875 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -10.231 -5.183 -14.914 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -8.468 -3.253 -18.346 1.00 1.00 H new ATOM 0 HH TYR A 32 -11.041 -3.013 -16.628 1.00 1.00 H new ATOM 527 N ASN A 33 -9.383 -8.375 -20.354 1.00 1.00 N ATOM 528 CA ASN A 33 -9.618 -8.023 -21.744 1.00 1.00 C ATOM 529 C ASN A 33 -10.017 -6.549 -21.833 1.00 1.00 C ATOM 530 O ASN A 33 -11.071 -6.189 -21.288 1.00 1.00 O ATOM 531 CB ASN A 33 -10.755 -8.856 -22.339 1.00 1.00 C ATOM 532 CG ASN A 33 -10.812 -8.700 -23.860 1.00 1.00 C ATOM 533 OD1 ASN A 33 -10.144 -7.867 -24.449 1.00 1.00 O ATOM 534 ND2 ASN A 33 -11.645 -9.546 -24.459 1.00 1.00 N ATOM 0 H ASN A 33 -10.224 -8.639 -19.841 1.00 1.00 H new ATOM 0 HA ASN A 33 -8.700 -8.216 -22.299 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -10.614 -9.906 -22.083 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -11.704 -8.546 -21.902 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -11.754 -9.522 -25.473 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -12.174 -10.219 -23.905 1.00 1.00 H new ATOM 541 N ASN A 34 -9.180 -5.738 -22.505 1.00 1.00 N ATOM 542 CA ASN A 34 -9.444 -4.318 -22.662 1.00 1.00 C ATOM 543 C ASN A 34 -10.782 -4.128 -23.379 1.00 1.00 C ATOM 544 O ASN A 34 -11.492 -3.164 -23.057 1.00 1.00 O ATOM 545 CB ASN A 34 -8.357 -3.645 -23.502 1.00 1.00 C ATOM 546 CG ASN A 34 -8.502 -4.011 -24.981 1.00 1.00 C ATOM 547 OD1 ASN A 34 -9.296 -3.443 -25.713 1.00 1.00 O ATOM 548 ND2 ASN A 34 -7.694 -4.989 -25.378 1.00 1.00 N ATOM 0 H ASN A 34 -8.316 -6.054 -22.945 1.00 1.00 H new ATOM 0 HA ASN A 34 -9.463 -3.867 -21.670 1.00 1.00 H new ATOM 0 HB2 ASN A 34 -8.418 -2.563 -23.384 1.00 1.00 H new ATOM 0 HB3 ASN A 34 -7.374 -3.950 -23.143 1.00 1.00 H new ATOM 0 HD21 ASN A 34 -7.715 -5.306 -26.347 1.00 1.00 H new ATOM 0 HD22 ASN A 34 -7.053 -5.422 -24.713 1.00 1.00 H new ATOM 555 N GLN A 35 -11.094 -5.035 -24.321 1.00 1.00 N ATOM 556 CA GLN A 35 -12.335 -4.968 -25.075 1.00 1.00 C ATOM 557 C GLN A 35 -13.498 -4.714 -24.113 1.00 1.00 C ATOM 558 O GLN A 35 -14.303 -3.812 -24.386 1.00 1.00 O ATOM 559 CB GLN A 35 -12.567 -6.240 -25.891 1.00 1.00 C ATOM 560 CG GLN A 35 -13.022 -5.905 -27.313 1.00 1.00 C ATOM 561 CD GLN A 35 -12.758 -7.074 -28.264 1.00 1.00 C ATOM 562 OE1 GLN A 35 -12.047 -6.959 -29.249 1.00 1.00 O ATOM 563 NE2 GLN A 35 -13.370 -8.203 -27.916 1.00 1.00 N ATOM 0 H GLN A 35 -10.494 -5.821 -24.571 1.00 1.00 H new ATOM 0 HA GLN A 35 -12.268 -4.144 -25.785 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.648 -6.825 -25.928 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -13.319 -6.858 -25.401 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -14.086 -5.666 -27.311 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -12.497 -5.018 -27.667 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -13.951 -8.231 -27.078 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -13.258 -9.041 -28.487 1.00 1.00 H new ATOM 572 N THR A 36 -13.561 -5.501 -23.024 1.00 1.00 N ATOM 573 CA THR A 36 -14.615 -5.362 -22.034 1.00 1.00 C ATOM 574 C THR A 36 -14.030 -4.767 -20.752 1.00 1.00 C ATOM 575 O THR A 36 -14.614 -4.984 -19.680 1.00 1.00 O ATOM 576 CB THR A 36 -15.273 -6.728 -21.825 1.00 1.00 C ATOM 577 OG1 THR A 36 -14.232 -7.535 -21.280 1.00 1.00 O ATOM 578 CG2 THR A 36 -15.625 -7.417 -23.145 1.00 1.00 C ATOM 0 H THR A 36 -12.887 -6.238 -22.818 1.00 1.00 H new ATOM 0 HA THR A 36 -15.392 -4.675 -22.370 1.00 1.00 H new ATOM 0 HB THR A 36 -16.176 -6.608 -21.226 1.00 1.00 H new ATOM 0 HG1 THR A 36 -14.325 -7.575 -20.305 1.00 1.00 H new ATOM 0 HG21 THR A 36 -16.089 -8.382 -22.939 1.00 1.00 H new ATOM 0 HG22 THR A 36 -16.320 -6.793 -23.707 1.00 1.00 H new ATOM 0 HG23 THR A 36 -14.718 -7.568 -23.730 1.00 1.00 H new ATOM 586 N LYS A 37 -12.905 -4.041 -20.884 1.00 1.00 N ATOM 587 CA LYS A 37 -12.250 -3.423 -19.744 1.00 1.00 C ATOM 588 C LYS A 37 -12.574 -4.221 -18.480 1.00 1.00 C ATOM 589 O LYS A 37 -13.068 -3.620 -17.514 1.00 1.00 O ATOM 590 CB LYS A 37 -12.624 -1.942 -19.650 1.00 1.00 C ATOM 591 CG LYS A 37 -12.127 -1.172 -20.874 1.00 1.00 C ATOM 592 CD LYS A 37 -11.824 0.286 -20.519 1.00 1.00 C ATOM 593 CE LYS A 37 -13.087 1.008 -20.045 1.00 1.00 C ATOM 594 NZ LYS A 37 -14.060 1.118 -21.144 1.00 1.00 N ATOM 0 H LYS A 37 -12.439 -3.875 -21.776 1.00 1.00 H new ATOM 0 HA LYS A 37 -11.167 -3.448 -19.867 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -13.706 -1.841 -19.567 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -12.194 -1.511 -18.746 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -11.229 -1.648 -21.268 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -12.879 -1.209 -21.662 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -11.064 0.324 -19.738 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -11.413 0.798 -21.389 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -13.532 0.466 -19.210 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -12.829 2.002 -19.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -14.798 1.804 -20.887 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -13.575 1.438 -22.007 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -14.496 0.190 -21.316 1.00 1.00 H new ATOM 608 N GLN A 38 -12.296 -5.536 -18.510 1.00 1.00 N ATOM 609 CA GLN A 38 -12.557 -6.405 -17.375 1.00 1.00 C ATOM 610 C GLN A 38 -11.895 -7.763 -17.614 1.00 1.00 C ATOM 611 O GLN A 38 -11.398 -7.989 -18.728 1.00 1.00 O ATOM 612 CB GLN A 38 -14.058 -6.563 -17.121 1.00 1.00 C ATOM 613 CG GLN A 38 -14.354 -6.654 -15.623 1.00 1.00 C ATOM 614 CD GLN A 38 -15.657 -5.930 -15.277 1.00 1.00 C ATOM 615 OE1 GLN A 38 -16.581 -6.495 -14.716 1.00 1.00 O ATOM 616 NE2 GLN A 38 -15.678 -4.651 -15.643 1.00 1.00 N ATOM 0 H GLN A 38 -11.889 -6.011 -19.316 1.00 1.00 H new ATOM 0 HA GLN A 38 -12.130 -5.950 -16.481 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -14.594 -5.717 -17.550 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -14.423 -7.459 -17.623 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -14.425 -7.700 -15.326 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -13.530 -6.217 -15.059 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -14.869 -4.241 -16.109 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -16.503 -4.081 -15.457 1.00 1.00 H new ATOM 625 N CYS A 39 -11.901 -8.627 -16.583 1.00 1.00 N ATOM 626 CA CYS A 39 -11.306 -9.948 -16.682 1.00 1.00 C ATOM 627 C CYS A 39 -12.290 -10.896 -17.369 1.00 1.00 C ATOM 628 O CYS A 39 -13.421 -11.029 -16.878 1.00 1.00 O ATOM 629 CB CYS A 39 -10.880 -10.466 -15.307 1.00 1.00 C ATOM 630 SG CYS A 39 -9.407 -9.661 -14.611 1.00 1.00 S ATOM 0 H CYS A 39 -12.316 -8.422 -15.674 1.00 1.00 H new ATOM 0 HA CYS A 39 -10.401 -9.891 -17.287 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -11.710 -10.336 -14.612 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -10.691 -11.537 -15.381 1.00 1.00 H new ATOM 636 N GLU A 40 -11.849 -11.526 -18.473 1.00 1.00 N ATOM 637 CA GLU A 40 -12.686 -12.452 -19.217 1.00 1.00 C ATOM 638 C GLU A 40 -12.152 -13.875 -19.035 1.00 1.00 C ATOM 639 O GLU A 40 -10.925 -14.047 -19.022 1.00 1.00 O ATOM 640 CB GLU A 40 -12.757 -12.079 -20.699 1.00 1.00 C ATOM 641 CG GLU A 40 -12.880 -10.564 -20.878 1.00 1.00 C ATOM 642 CD GLU A 40 -14.119 -10.026 -20.157 1.00 1.00 C ATOM 643 OE1 GLU A 40 -15.222 -10.562 -20.338 1.00 1.00 O ATOM 644 OE2 GLU A 40 -13.904 -9.016 -19.385 1.00 1.00 O ATOM 0 H GLU A 40 -10.914 -11.402 -18.861 1.00 1.00 H new ATOM 0 HA GLU A 40 -13.702 -12.396 -18.826 1.00 1.00 H new ATOM 0 HB2 GLU A 40 -11.864 -12.438 -21.211 1.00 1.00 H new ATOM 0 HB3 GLU A 40 -13.611 -12.574 -21.162 1.00 1.00 H new ATOM 0 HG2 GLU A 40 -11.987 -10.074 -20.489 1.00 1.00 H new ATOM 0 HG3 GLU A 40 -12.939 -10.323 -21.939 1.00 1.00 H new ATOM 651 N ARG A 41 -13.069 -14.849 -18.900 1.00 1.00 N ATOM 652 CA ARG A 41 -12.693 -16.241 -18.721 1.00 1.00 C ATOM 653 C ARG A 41 -12.167 -16.797 -20.046 1.00 1.00 C ATOM 654 O ARG A 41 -12.927 -16.807 -21.025 1.00 1.00 O ATOM 655 CB ARG A 41 -13.877 -17.090 -18.254 1.00 1.00 C ATOM 656 CG ARG A 41 -13.583 -17.746 -16.904 1.00 1.00 C ATOM 657 CD ARG A 41 -14.875 -17.998 -16.124 1.00 1.00 C ATOM 658 NE ARG A 41 -15.234 -19.433 -16.189 1.00 1.00 N ATOM 659 CZ ARG A 41 -15.859 -20.009 -17.238 1.00 1.00 C ATOM 660 NH1 ARG A 41 -16.183 -19.254 -18.296 1.00 1.00 N ATOM 661 NH2 ARG A 41 -16.150 -21.317 -17.221 1.00 1.00 N ATOM 0 H ARG A 41 -14.076 -14.686 -18.913 1.00 1.00 H new ATOM 0 HA ARG A 41 -11.920 -16.286 -17.954 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -14.767 -16.466 -18.173 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -14.093 -17.858 -18.996 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -13.059 -18.689 -17.060 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -12.921 -17.106 -16.321 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -14.748 -17.693 -15.085 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -15.683 -17.394 -16.537 1.00 1.00 H new ATOM 0 HE ARG A 41 -14.994 -20.023 -15.392 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -15.957 -18.259 -18.301 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -16.655 -19.674 -19.097 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -15.899 -21.885 -16.412 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -16.622 -21.745 -18.017 1.00 1.00 H new ATOM 675 N PHE A 42 -10.898 -17.242 -20.050 1.00 1.00 N ATOM 676 CA PHE A 42 -10.280 -17.794 -21.244 1.00 1.00 C ATOM 677 C PHE A 42 -9.436 -19.011 -20.860 1.00 1.00 C ATOM 678 O PHE A 42 -9.397 -19.350 -19.668 1.00 1.00 O ATOM 679 CB PHE A 42 -9.407 -16.712 -21.910 1.00 1.00 C ATOM 680 CG PHE A 42 -7.971 -16.656 -21.407 1.00 1.00 C ATOM 681 CD1 PHE A 42 -7.708 -16.435 -20.036 1.00 1.00 C ATOM 682 CD2 PHE A 42 -6.892 -16.832 -22.305 1.00 1.00 C ATOM 683 CE1 PHE A 42 -6.378 -16.388 -19.566 1.00 1.00 C ATOM 684 CE2 PHE A 42 -5.562 -16.784 -21.835 1.00 1.00 C ATOM 685 CZ PHE A 42 -5.305 -16.561 -20.466 1.00 1.00 C ATOM 0 H PHE A 42 -10.289 -17.225 -19.232 1.00 1.00 H new ATOM 0 HA PHE A 42 -11.046 -18.110 -21.952 1.00 1.00 H new ATOM 0 HB2 PHE A 42 -9.394 -16.886 -22.986 1.00 1.00 H new ATOM 0 HB3 PHE A 42 -9.872 -15.739 -21.750 1.00 1.00 H new ATOM 0 HD1 PHE A 42 -8.528 -16.302 -19.346 1.00 1.00 H new ATOM 0 HD2 PHE A 42 -7.087 -17.004 -23.353 1.00 1.00 H new ATOM 0 HE1 PHE A 42 -6.181 -16.220 -18.517 1.00 1.00 H new ATOM 0 HE2 PHE A 42 -4.741 -16.918 -22.524 1.00 1.00 H new ATOM 0 HZ PHE A 42 -4.287 -16.523 -20.107 1.00 1.00 H new ATOM 695 N LYS A 43 -8.789 -19.635 -21.861 1.00 1.00 N ATOM 696 CA LYS A 43 -7.955 -20.802 -21.629 1.00 1.00 C ATOM 697 C LYS A 43 -6.509 -20.356 -21.407 1.00 1.00 C ATOM 698 O LYS A 43 -6.276 -19.142 -21.303 1.00 1.00 O ATOM 699 CB LYS A 43 -8.120 -21.812 -22.767 1.00 1.00 C ATOM 700 CG LYS A 43 -9.090 -21.289 -23.828 1.00 1.00 C ATOM 701 CD LYS A 43 -10.470 -21.020 -23.224 1.00 1.00 C ATOM 702 CE LYS A 43 -11.549 -21.837 -23.937 1.00 1.00 C ATOM 703 NZ LYS A 43 -12.875 -21.547 -23.368 1.00 1.00 N ATOM 0 H LYS A 43 -8.835 -19.341 -22.837 1.00 1.00 H new ATOM 0 HA LYS A 43 -8.270 -21.321 -20.724 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -7.151 -22.013 -23.223 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -8.487 -22.758 -22.368 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -8.696 -20.372 -24.266 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -9.178 -22.016 -24.636 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -10.461 -21.270 -22.163 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -10.703 -19.958 -23.300 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -11.545 -21.605 -25.002 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -11.331 -22.901 -23.842 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -13.596 -22.110 -23.863 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -12.880 -21.791 -22.357 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -13.088 -20.535 -23.481 1.00 1.00 H new ATOM 717 N TYR A 44 -5.582 -21.328 -21.341 1.00 1.00 N ATOM 718 CA TYR A 44 -4.190 -20.970 -21.128 1.00 1.00 C ATOM 719 C TYR A 44 -3.303 -21.821 -22.038 1.00 1.00 C ATOM 720 O TYR A 44 -2.710 -21.256 -22.968 1.00 1.00 O ATOM 721 CB TYR A 44 -3.827 -21.150 -19.642 1.00 1.00 C ATOM 722 CG TYR A 44 -2.352 -20.947 -19.323 1.00 1.00 C ATOM 723 CD1 TYR A 44 -1.502 -20.331 -20.271 1.00 1.00 C ATOM 724 CD2 TYR A 44 -1.824 -21.367 -18.081 1.00 1.00 C ATOM 725 CE1 TYR A 44 -0.135 -20.138 -19.979 1.00 1.00 C ATOM 726 CE2 TYR A 44 -0.457 -21.174 -17.789 1.00 1.00 C ATOM 727 CZ TYR A 44 0.389 -20.560 -18.738 1.00 1.00 C ATOM 728 OH TYR A 44 1.713 -20.373 -18.460 1.00 1.00 O ATOM 0 H TYR A 44 -5.771 -22.327 -21.429 1.00 1.00 H new ATOM 0 HA TYR A 44 -4.028 -19.923 -21.382 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -4.414 -20.447 -19.050 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -4.119 -22.152 -19.329 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -1.900 -20.007 -21.221 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -2.469 -21.837 -17.353 1.00 1.00 H new ATOM 0 HE1 TYR A 44 0.511 -19.667 -20.705 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -0.058 -21.496 -16.839 1.00 1.00 H new ATOM 0 HH TYR A 44 1.911 -20.718 -17.565 1.00 1.00 H new ATOM 738 N GLY A 45 -3.221 -23.134 -21.756 1.00 1.00 N ATOM 739 CA GLY A 45 -2.403 -24.041 -22.542 1.00 1.00 C ATOM 740 C GLY A 45 -1.042 -24.211 -21.863 1.00 1.00 C ATOM 741 O GLY A 45 -0.597 -25.358 -21.712 1.00 1.00 O ATOM 0 H GLY A 45 -3.718 -23.580 -20.985 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -2.899 -25.007 -22.636 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -2.273 -23.650 -23.551 1.00 1.00 H new ATOM 745 N GLY A 46 -0.418 -23.084 -21.474 1.00 1.00 N ATOM 746 CA GLY A 46 0.878 -23.109 -20.818 1.00 1.00 C ATOM 747 C GLY A 46 1.964 -23.399 -21.856 1.00 1.00 C ATOM 748 O GLY A 46 2.404 -24.554 -21.942 1.00 1.00 O ATOM 0 H GLY A 46 -0.801 -22.148 -21.608 1.00 1.00 H new ATOM 0 HA2 GLY A 46 1.070 -22.153 -20.331 1.00 1.00 H new ATOM 0 HA3 GLY A 46 0.890 -23.872 -20.039 1.00 1.00 H new ATOM 752 N CYS A 47 2.368 -22.361 -22.611 1.00 1.00 N ATOM 753 CA CYS A 47 3.392 -22.504 -23.632 1.00 1.00 C ATOM 754 C CYS A 47 3.802 -21.118 -24.134 1.00 1.00 C ATOM 755 O CYS A 47 3.145 -20.606 -25.053 1.00 1.00 O ATOM 756 CB CYS A 47 2.914 -23.406 -24.771 1.00 1.00 C ATOM 757 SG CYS A 47 1.162 -23.881 -24.683 1.00 1.00 S ATOM 0 H CYS A 47 1.993 -21.417 -22.524 1.00 1.00 H new ATOM 0 HA CYS A 47 4.267 -22.988 -23.200 1.00 1.00 H new ATOM 0 HB2 CYS A 47 3.091 -22.896 -25.718 1.00 1.00 H new ATOM 0 HB3 CYS A 47 3.521 -24.311 -24.778 1.00 1.00 H new ATOM 0 HG CYS A 47 1.039 -25.141 -24.979 1.00 1.00 H new ATOM 763 N LEU A 48 4.862 -20.548 -23.533 1.00 1.00 N ATOM 764 CA LEU A 48 5.351 -19.235 -23.917 1.00 1.00 C ATOM 765 C LEU A 48 4.416 -18.163 -23.356 1.00 1.00 C ATOM 766 O LEU A 48 4.912 -17.103 -22.947 1.00 1.00 O ATOM 767 CB LEU A 48 5.538 -19.156 -25.434 1.00 1.00 C ATOM 768 CG LEU A 48 5.358 -17.772 -26.061 1.00 1.00 C ATOM 769 CD1 LEU A 48 6.512 -16.843 -25.679 1.00 1.00 C ATOM 770 CD2 LEU A 48 5.183 -17.876 -27.577 1.00 1.00 C ATOM 0 H LEU A 48 5.390 -20.987 -22.779 1.00 1.00 H new ATOM 0 HA LEU A 48 6.336 -19.055 -23.487 1.00 1.00 H new ATOM 0 HB2 LEU A 48 6.538 -19.515 -25.676 1.00 1.00 H new ATOM 0 HB3 LEU A 48 4.831 -19.840 -25.903 1.00 1.00 H new ATOM 0 HG LEU A 48 4.445 -17.332 -25.661 1.00 1.00 H new ATOM 0 HD11 LEU A 48 6.360 -15.866 -26.138 1.00 1.00 H new ATOM 0 HD12 LEU A 48 6.547 -16.734 -24.595 1.00 1.00 H new ATOM 0 HD13 LEU A 48 7.452 -17.267 -26.032 1.00 1.00 H new ATOM 0 HD21 LEU A 48 5.057 -16.879 -27.998 1.00 1.00 H new ATOM 0 HD22 LEU A 48 6.064 -18.345 -28.014 1.00 1.00 H new ATOM 0 HD23 LEU A 48 4.303 -18.478 -27.801 1.00 1.00 H new ATOM 782 N GLY A 49 3.102 -18.453 -23.348 1.00 1.00 N ATOM 783 CA GLY A 49 2.110 -17.520 -22.842 1.00 1.00 C ATOM 784 C GLY A 49 2.790 -16.517 -21.908 1.00 1.00 C ATOM 785 O GLY A 49 3.521 -16.952 -21.007 1.00 1.00 O ATOM 0 H GLY A 49 2.714 -19.332 -23.690 1.00 1.00 H new ATOM 0 HA2 GLY A 49 1.631 -16.997 -23.669 1.00 1.00 H new ATOM 0 HA3 GLY A 49 1.327 -18.058 -22.308 1.00 1.00 H new ATOM 789 N ASN A 50 2.540 -15.215 -22.138 1.00 1.00 N ATOM 790 CA ASN A 50 3.124 -14.163 -21.323 1.00 1.00 C ATOM 791 C ASN A 50 2.391 -14.098 -19.982 1.00 1.00 C ATOM 792 O ASN A 50 1.623 -15.024 -19.683 1.00 1.00 O ATOM 793 CB ASN A 50 2.987 -12.800 -22.003 1.00 1.00 C ATOM 794 CG ASN A 50 1.525 -12.352 -22.047 1.00 1.00 C ATOM 795 OD1 ASN A 50 0.815 -12.367 -21.055 1.00 1.00 O ATOM 796 ND2 ASN A 50 1.115 -11.956 -23.248 1.00 1.00 N ATOM 0 H ASN A 50 1.934 -14.878 -22.886 1.00 1.00 H new ATOM 0 HA ASN A 50 4.181 -14.391 -21.183 1.00 1.00 H new ATOM 0 HB2 ASN A 50 3.581 -12.061 -21.466 1.00 1.00 H new ATOM 0 HB3 ASN A 50 3.385 -12.854 -23.016 1.00 1.00 H new ATOM 0 HD21 ASN A 50 0.154 -11.640 -23.380 1.00 1.00 H new ATOM 0 HD22 ASN A 50 1.761 -11.968 -24.037 1.00 1.00 H new ATOM 803 N MET A 51 2.638 -13.022 -19.213 1.00 1.00 N ATOM 804 CA MET A 51 2.007 -12.841 -17.917 1.00 1.00 C ATOM 805 C MET A 51 0.497 -13.045 -18.057 1.00 1.00 C ATOM 806 O MET A 51 -0.021 -14.021 -17.494 1.00 1.00 O ATOM 807 CB MET A 51 2.285 -11.435 -17.382 1.00 1.00 C ATOM 808 CG MET A 51 3.644 -11.373 -16.683 1.00 1.00 C ATOM 809 SD MET A 51 4.328 -9.694 -16.800 1.00 1.00 S ATOM 810 CE MET A 51 5.071 -9.770 -18.456 1.00 1.00 C ATOM 0 H MET A 51 3.274 -12.270 -19.478 1.00 1.00 H new ATOM 0 HA MET A 51 2.416 -13.570 -17.218 1.00 1.00 H new ATOM 0 HB2 MET A 51 2.261 -10.718 -18.203 1.00 1.00 H new ATOM 0 HB3 MET A 51 1.499 -11.146 -16.684 1.00 1.00 H new ATOM 0 HG2 MET A 51 3.537 -11.659 -15.637 1.00 1.00 H new ATOM 0 HG3 MET A 51 4.330 -12.086 -17.140 1.00 1.00 H new ATOM 0 HE1 MET A 51 5.538 -8.813 -18.689 1.00 1.00 H new ATOM 0 HE2 MET A 51 5.824 -10.558 -18.481 1.00 1.00 H new ATOM 0 HE3 MET A 51 4.297 -9.985 -19.193 1.00 1.00 H new ATOM 820 N ASN A 52 -0.168 -12.136 -18.792 1.00 1.00 N ATOM 821 CA ASN A 52 -1.603 -12.216 -19.002 1.00 1.00 C ATOM 822 C ASN A 52 -2.044 -13.679 -18.930 1.00 1.00 C ATOM 823 O ASN A 52 -1.911 -14.386 -19.940 1.00 1.00 O ATOM 824 CB ASN A 52 -1.990 -11.673 -20.379 1.00 1.00 C ATOM 825 CG ASN A 52 -3.489 -11.840 -20.633 1.00 1.00 C ATOM 826 OD1 ASN A 52 -3.989 -12.930 -20.861 1.00 1.00 O ATOM 827 ND2 ASN A 52 -4.177 -10.703 -20.583 1.00 1.00 N ATOM 0 H ASN A 52 0.278 -11.339 -19.247 1.00 1.00 H new ATOM 0 HA ASN A 52 -2.090 -11.620 -18.230 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -1.721 -10.619 -20.447 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -1.426 -12.196 -21.152 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -5.185 -10.709 -20.740 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -3.697 -9.825 -20.387 1.00 1.00 H new ATOM 834 N ASN A 53 -2.552 -14.098 -17.757 1.00 1.00 N ATOM 835 CA ASN A 53 -3.007 -15.464 -17.558 1.00 1.00 C ATOM 836 C ASN A 53 -3.202 -15.719 -16.063 1.00 1.00 C ATOM 837 O ASN A 53 -2.223 -16.079 -15.393 1.00 1.00 O ATOM 838 CB ASN A 53 -1.977 -16.469 -18.079 1.00 1.00 C ATOM 839 CG ASN A 53 -2.089 -17.802 -17.337 1.00 1.00 C ATOM 840 OD1 ASN A 53 -1.393 -18.064 -16.369 1.00 1.00 O ATOM 841 ND2 ASN A 53 -3.000 -18.628 -17.844 1.00 1.00 N ATOM 0 H ASN A 53 -2.653 -13.500 -16.937 1.00 1.00 H new ATOM 0 HA ASN A 53 -3.942 -15.591 -18.103 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -2.127 -16.629 -19.147 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -0.973 -16.063 -17.956 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -3.150 -19.544 -17.421 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -3.549 -18.346 -18.656 1.00 1.00 H new ATOM 848 N PHE A 54 -4.442 -15.532 -15.577 1.00 1.00 N ATOM 849 CA PHE A 54 -4.760 -15.740 -14.174 1.00 1.00 C ATOM 850 C PHE A 54 -5.586 -17.020 -14.028 1.00 1.00 C ATOM 851 O PHE A 54 -6.065 -17.533 -15.050 1.00 1.00 O ATOM 852 CB PHE A 54 -5.539 -14.522 -13.643 1.00 1.00 C ATOM 853 CG PHE A 54 -4.828 -13.186 -13.821 1.00 1.00 C ATOM 854 CD1 PHE A 54 -3.949 -12.713 -12.820 1.00 1.00 C ATOM 855 CD2 PHE A 54 -5.037 -12.416 -14.989 1.00 1.00 C ATOM 856 CE1 PHE A 54 -3.286 -11.479 -12.984 1.00 1.00 C ATOM 857 CE2 PHE A 54 -4.373 -11.181 -15.152 1.00 1.00 C ATOM 858 CZ PHE A 54 -3.498 -10.712 -14.150 1.00 1.00 C ATOM 0 H PHE A 54 -5.235 -15.236 -16.146 1.00 1.00 H new ATOM 0 HA PHE A 54 -3.844 -15.848 -13.592 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -6.503 -14.475 -14.149 1.00 1.00 H new ATOM 0 HB3 PHE A 54 -5.742 -14.672 -12.583 1.00 1.00 H new ATOM 0 HD1 PHE A 54 -3.785 -13.298 -11.927 1.00 1.00 H new ATOM 0 HD2 PHE A 54 -5.706 -12.774 -15.758 1.00 1.00 H new ATOM 0 HE1 PHE A 54 -2.616 -11.121 -12.217 1.00 1.00 H new ATOM 0 HE2 PHE A 54 -4.535 -10.595 -16.045 1.00 1.00 H new ATOM 0 HZ PHE A 54 -2.991 -9.767 -14.275 1.00 1.00 H new ATOM 868 N GLU A 55 -5.736 -17.501 -12.781 1.00 1.00 N ATOM 869 CA GLU A 55 -6.497 -18.707 -12.507 1.00 1.00 C ATOM 870 C GLU A 55 -7.742 -18.346 -11.694 1.00 1.00 C ATOM 871 O GLU A 55 -8.344 -19.254 -11.103 1.00 1.00 O ATOM 872 CB GLU A 55 -5.651 -19.753 -11.779 1.00 1.00 C ATOM 873 CG GLU A 55 -4.162 -19.555 -12.073 1.00 1.00 C ATOM 874 CD GLU A 55 -3.306 -20.502 -11.229 1.00 1.00 C ATOM 875 OE1 GLU A 55 -3.050 -20.087 -10.035 1.00 1.00 O ATOM 876 OE2 GLU A 55 -2.914 -21.576 -11.708 1.00 1.00 O ATOM 0 H GLU A 55 -5.334 -17.063 -11.952 1.00 1.00 H new ATOM 0 HA GLU A 55 -6.802 -19.150 -13.455 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -5.826 -19.684 -10.705 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -5.957 -20.753 -12.088 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -3.970 -19.731 -13.131 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -3.881 -18.523 -11.866 1.00 1.00 H new ATOM 883 N THR A 56 -8.097 -17.049 -11.680 1.00 1.00 N ATOM 884 CA THR A 56 -9.258 -16.576 -10.945 1.00 1.00 C ATOM 885 C THR A 56 -9.615 -15.165 -11.417 1.00 1.00 C ATOM 886 O THR A 56 -8.697 -14.417 -11.786 1.00 1.00 O ATOM 887 CB THR A 56 -8.956 -16.659 -9.448 1.00 1.00 C ATOM 888 OG1 THR A 56 -7.553 -16.899 -9.389 1.00 1.00 O ATOM 889 CG2 THR A 56 -9.574 -17.896 -8.793 1.00 1.00 C ATOM 0 H THR A 56 -7.588 -16.317 -12.174 1.00 1.00 H new ATOM 0 HA THR A 56 -10.133 -17.198 -11.134 1.00 1.00 H new ATOM 0 HB THR A 56 -9.329 -15.762 -8.953 1.00 1.00 H new ATOM 0 HG1 THR A 56 -7.272 -16.965 -8.453 1.00 1.00 H new ATOM 0 HG21 THR A 56 -9.329 -17.906 -7.731 1.00 1.00 H new ATOM 0 HG22 THR A 56 -10.657 -17.870 -8.916 1.00 1.00 H new ATOM 0 HG23 THR A 56 -9.177 -18.795 -9.265 1.00 1.00 H new ATOM 897 N LEU A 57 -10.918 -14.834 -11.396 1.00 1.00 N ATOM 898 CA LEU A 57 -11.387 -13.526 -11.818 1.00 1.00 C ATOM 899 C LEU A 57 -10.907 -12.470 -10.820 1.00 1.00 C ATOM 900 O LEU A 57 -10.512 -11.380 -11.260 1.00 1.00 O ATOM 901 CB LEU A 57 -12.905 -13.539 -12.016 1.00 1.00 C ATOM 902 CG LEU A 57 -13.493 -12.343 -12.768 1.00 1.00 C ATOM 903 CD1 LEU A 57 -13.220 -12.452 -14.269 1.00 1.00 C ATOM 904 CD2 LEU A 57 -14.985 -12.186 -12.466 1.00 1.00 C ATOM 0 H LEU A 57 -11.658 -15.465 -11.088 1.00 1.00 H new ATOM 0 HA LEU A 57 -10.964 -13.265 -12.788 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -13.174 -14.449 -12.553 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -13.379 -13.596 -11.036 1.00 1.00 H new ATOM 0 HG LEU A 57 -12.996 -11.439 -12.415 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -13.648 -11.590 -14.780 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -12.144 -12.479 -14.442 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -13.673 -13.365 -14.656 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -15.379 -11.329 -13.013 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -15.515 -13.087 -12.773 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -15.125 -12.030 -11.396 1.00 1.00 H new ATOM 916 N GLU A 58 -10.949 -12.808 -9.519 1.00 1.00 N ATOM 917 CA GLU A 58 -10.520 -11.895 -8.472 1.00 1.00 C ATOM 918 C GLU A 58 -9.009 -11.680 -8.576 1.00 1.00 C ATOM 919 O GLU A 58 -8.551 -10.565 -8.286 1.00 1.00 O ATOM 920 CB GLU A 58 -10.906 -12.411 -7.085 1.00 1.00 C ATOM 921 CG GLU A 58 -11.393 -11.269 -6.191 1.00 1.00 C ATOM 922 CD GLU A 58 -11.764 -11.782 -4.798 1.00 1.00 C ATOM 923 OE1 GLU A 58 -10.876 -12.159 -4.020 1.00 1.00 O ATOM 924 OE2 GLU A 58 -13.027 -11.779 -4.535 1.00 1.00 O ATOM 0 H GLU A 58 -11.278 -13.711 -9.178 1.00 1.00 H new ATOM 0 HA GLU A 58 -11.029 -10.941 -8.609 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -11.689 -13.164 -7.178 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -10.048 -12.899 -6.623 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -10.615 -10.511 -6.108 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -12.258 -10.789 -6.648 1.00 1.00 H new ATOM 931 N GLU A 59 -8.277 -12.733 -8.982 1.00 1.00 N ATOM 932 CA GLU A 59 -6.833 -12.659 -9.122 1.00 1.00 C ATOM 933 C GLU A 59 -6.485 -11.744 -10.297 1.00 1.00 C ATOM 934 O GLU A 59 -5.660 -10.837 -10.114 1.00 1.00 O ATOM 935 CB GLU A 59 -6.214 -14.046 -9.305 1.00 1.00 C ATOM 936 CG GLU A 59 -4.793 -14.093 -8.739 1.00 1.00 C ATOM 937 CD GLU A 59 -4.060 -12.773 -8.989 1.00 1.00 C ATOM 938 OE1 GLU A 59 -4.354 -11.766 -8.329 1.00 1.00 O ATOM 939 OE2 GLU A 59 -3.155 -12.818 -9.907 1.00 1.00 O ATOM 0 H GLU A 59 -8.674 -13.643 -9.217 1.00 1.00 H new ATOM 0 HA GLU A 59 -6.414 -12.243 -8.206 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -6.832 -14.792 -8.807 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -6.196 -14.303 -10.364 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -4.830 -14.295 -7.669 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -4.241 -14.913 -9.199 1.00 1.00 H new ATOM 946 N CYS A 60 -7.110 -11.995 -11.462 1.00 1.00 N ATOM 947 CA CYS A 60 -6.867 -11.198 -12.653 1.00 1.00 C ATOM 948 C CYS A 60 -7.261 -9.746 -12.378 1.00 1.00 C ATOM 949 O CYS A 60 -6.639 -8.846 -12.961 1.00 1.00 O ATOM 950 CB CYS A 60 -7.610 -11.773 -13.861 1.00 1.00 C ATOM 951 SG CYS A 60 -7.507 -10.764 -15.369 1.00 1.00 S ATOM 0 H CYS A 60 -7.786 -12.747 -11.592 1.00 1.00 H new ATOM 0 HA CYS A 60 -5.805 -11.228 -12.898 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -7.212 -12.765 -14.076 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -8.660 -11.901 -13.597 1.00 1.00 H new ATOM 957 N LYS A 61 -8.270 -9.549 -11.511 1.00 1.00 N ATOM 958 CA LYS A 61 -8.740 -8.218 -11.166 1.00 1.00 C ATOM 959 C LYS A 61 -7.791 -7.597 -10.139 1.00 1.00 C ATOM 960 O LYS A 61 -7.489 -6.401 -10.262 1.00 1.00 O ATOM 961 CB LYS A 61 -10.198 -8.268 -10.705 1.00 1.00 C ATOM 962 CG LYS A 61 -11.148 -8.370 -11.899 1.00 1.00 C ATOM 963 CD LYS A 61 -12.593 -8.100 -11.476 1.00 1.00 C ATOM 964 CE LYS A 61 -13.530 -8.111 -12.685 1.00 1.00 C ATOM 965 NZ LYS A 61 -14.755 -8.870 -12.381 1.00 1.00 N ATOM 0 H LYS A 61 -8.769 -10.304 -11.041 1.00 1.00 H new ATOM 0 HA LYS A 61 -8.729 -7.571 -12.043 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -10.345 -9.123 -10.045 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -10.431 -7.374 -10.126 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -10.851 -7.655 -12.667 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -11.075 -9.363 -12.342 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -12.912 -8.855 -10.757 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -12.654 -7.135 -10.973 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -13.788 -7.089 -12.962 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -13.023 -8.555 -13.542 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -15.177 -9.217 -13.266 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -14.520 -9.678 -11.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -15.434 -8.252 -11.893 1.00 1.00 H new ATOM 979 N ASN A 62 -7.348 -8.408 -9.161 1.00 1.00 N ATOM 980 CA ASN A 62 -6.443 -7.941 -8.125 1.00 1.00 C ATOM 981 C ASN A 62 -5.159 -7.420 -8.772 1.00 1.00 C ATOM 982 O ASN A 62 -4.671 -6.362 -8.347 1.00 1.00 O ATOM 983 CB ASN A 62 -6.065 -9.077 -7.172 1.00 1.00 C ATOM 984 CG ASN A 62 -5.685 -8.532 -5.793 1.00 1.00 C ATOM 985 OD1 ASN A 62 -6.526 -8.179 -4.984 1.00 1.00 O ATOM 986 ND2 ASN A 62 -4.374 -8.485 -5.573 1.00 1.00 N ATOM 0 H ASN A 62 -7.610 -9.390 -9.077 1.00 1.00 H new ATOM 0 HA ASN A 62 -6.948 -7.153 -7.566 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -6.901 -9.769 -7.076 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -5.230 -9.642 -7.587 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -4.018 -8.137 -4.682 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -3.724 -8.797 -6.295 1.00 1.00 H new ATOM 993 N ILE A 63 -4.644 -8.160 -9.771 1.00 1.00 N ATOM 994 CA ILE A 63 -3.429 -7.774 -10.468 1.00 1.00 C ATOM 995 C ILE A 63 -3.751 -6.665 -11.471 1.00 1.00 C ATOM 996 O ILE A 63 -3.003 -5.678 -11.519 1.00 1.00 O ATOM 997 CB ILE A 63 -2.761 -8.998 -11.098 1.00 1.00 C ATOM 998 CG1 ILE A 63 -2.485 -10.074 -10.046 1.00 1.00 C ATOM 999 CG2 ILE A 63 -1.494 -8.601 -11.858 1.00 1.00 C ATOM 1000 CD1 ILE A 63 -2.131 -9.444 -8.697 1.00 1.00 C ATOM 0 H ILE A 63 -5.061 -9.029 -10.106 1.00 1.00 H new ATOM 0 HA ILE A 63 -2.701 -7.367 -9.766 1.00 1.00 H new ATOM 0 HB ILE A 63 -3.451 -9.427 -11.825 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -3.362 -10.712 -9.935 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -1.667 -10.712 -10.379 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -1.039 -9.489 -12.296 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -1.750 -7.897 -12.650 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -0.789 -8.133 -11.171 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -1.940 -10.231 -7.967 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -1.240 -8.826 -8.807 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.961 -8.826 -8.355 1.00 1.00 H new ATOM 1012 N CYS A 64 -4.841 -6.845 -12.238 1.00 1.00 N ATOM 1013 CA CYS A 64 -5.256 -5.866 -13.229 1.00 1.00 C ATOM 1014 C CYS A 64 -6.160 -4.826 -12.565 1.00 1.00 C ATOM 1015 O CYS A 64 -5.637 -3.806 -12.092 1.00 1.00 O ATOM 1016 CB CYS A 64 -5.941 -6.542 -14.419 1.00 1.00 C ATOM 1017 SG CYS A 64 -4.976 -7.868 -15.202 1.00 1.00 S ATOM 0 H CYS A 64 -5.444 -7.665 -12.182 1.00 1.00 H new ATOM 0 HA CYS A 64 -4.377 -5.358 -13.624 1.00 1.00 H new ATOM 0 HB2 CYS A 64 -6.894 -6.953 -14.086 1.00 1.00 H new ATOM 0 HB3 CYS A 64 -6.166 -5.784 -15.169 1.00 1.00 H new ATOM 1023 N GLU A 65 -7.477 -5.099 -12.543 1.00 1.00 N ATOM 1024 CA GLU A 65 -8.441 -4.193 -11.942 1.00 1.00 C ATOM 1025 C GLU A 65 -7.792 -3.480 -10.753 1.00 1.00 C ATOM 1026 O GLU A 65 -8.127 -2.311 -10.513 1.00 1.00 O ATOM 1027 CB GLU A 65 -9.712 -4.928 -11.514 1.00 1.00 C ATOM 1028 CG GLU A 65 -10.788 -4.841 -12.598 1.00 1.00 C ATOM 1029 CD GLU A 65 -12.152 -4.508 -11.990 1.00 1.00 C ATOM 1030 OE1 GLU A 65 -12.270 -4.381 -10.762 1.00 1.00 O ATOM 1031 OE2 GLU A 65 -13.112 -4.380 -12.843 1.00 1.00 O ATOM 0 H GLU A 65 -7.887 -5.945 -12.939 1.00 1.00 H new ATOM 0 HA GLU A 65 -8.738 -3.454 -12.686 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -9.480 -5.973 -11.310 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -10.090 -4.498 -10.586 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -10.514 -4.078 -13.327 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -10.846 -5.788 -13.135 1.00 1.00 H new ATOM 1038 N ASP A 66 -6.892 -4.186 -10.046 1.00 1.00 N ATOM 1039 CA ASP A 66 -6.206 -3.625 -8.895 1.00 1.00 C ATOM 1040 C ASP A 66 -7.240 -3.142 -7.875 1.00 1.00 C ATOM 1041 O ASP A 66 -6.890 -2.304 -7.032 1.00 1.00 O ATOM 1042 CB ASP A 66 -5.345 -2.426 -9.298 1.00 1.00 C ATOM 1043 CG ASP A 66 -6.101 -1.104 -9.438 1.00 1.00 C ATOM 1044 OD1 ASP A 66 -6.439 -0.452 -8.439 1.00 1.00 O ATOM 1045 OD2 ASP A 66 -6.347 -0.742 -10.652 1.00 1.00 O ATOM 0 H ASP A 66 -6.630 -5.148 -10.262 1.00 1.00 H new ATOM 0 HA ASP A 66 -5.569 -4.401 -8.471 1.00 1.00 H new ATOM 0 HB2 ASP A 66 -4.556 -2.299 -8.557 1.00 1.00 H new ATOM 0 HB3 ASP A 66 -4.858 -2.651 -10.247 1.00 1.00 H new ATOM 1050 N GLY A 67 -8.472 -3.672 -7.971 1.00 1.00 N ATOM 1051 CA GLY A 67 -9.544 -3.298 -7.063 1.00 1.00 C ATOM 1052 C GLY A 67 -9.838 -1.804 -7.217 1.00 1.00 C ATOM 1053 O GLY A 67 -8.935 -1.065 -7.634 1.00 1.00 O ATOM 0 H GLY A 67 -8.740 -4.361 -8.674 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -10.439 -3.881 -7.279 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -9.259 -3.520 -6.035 1.00 1.00 H new ATOM 1057 N PRO A 68 -11.076 -1.398 -6.884 1.00 1.00 N ATOM 1058 CA PRO A 68 -11.517 -0.016 -6.971 1.00 1.00 C ATOM 1059 C PRO A 68 -10.900 0.829 -5.855 1.00 1.00 C ATOM 1060 O PRO A 68 -9.944 1.567 -6.134 1.00 1.00 O ATOM 1061 CB PRO A 68 -13.034 -0.081 -6.897 1.00 1.00 C ATOM 1062 CG PRO A 68 -13.364 -1.442 -6.306 1.00 1.00 C ATOM 1063 CD PRO A 68 -12.105 -2.293 -6.363 1.00 1.00 C ATOM 0 HA PRO A 68 -11.197 0.469 -7.893 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -13.429 0.722 -6.274 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -13.479 0.034 -7.886 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -13.708 -1.338 -5.277 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -14.171 -1.916 -6.866 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -11.838 -2.672 -5.376 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -12.241 -3.159 -7.011 1.00 1.00 H new ATOM 1071 N ASN A 69 -11.449 0.706 -4.633 1.00 1.00 N ATOM 1072 CA ASN A 69 -10.955 1.452 -3.489 1.00 1.00 C ATOM 1073 C ASN A 69 -9.749 0.724 -2.892 1.00 1.00 C ATOM 1074 O ASN A 69 -9.951 -0.299 -2.220 1.00 1.00 O ATOM 1075 CB ASN A 69 -12.025 1.564 -2.401 1.00 1.00 C ATOM 1076 CG ASN A 69 -13.410 1.779 -3.015 1.00 1.00 C ATOM 1077 OD1 ASN A 69 -14.015 0.879 -3.576 1.00 1.00 O ATOM 1078 ND2 ASN A 69 -13.877 3.016 -2.878 1.00 1.00 N ATOM 0 H ASN A 69 -12.237 0.092 -4.424 1.00 1.00 H new ATOM 0 HA ASN A 69 -10.681 2.450 -3.831 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -12.029 0.658 -1.795 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -11.786 2.393 -1.735 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -14.793 3.260 -3.254 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -13.319 3.722 -2.397 1.00 1.00 H new ATOM 1085 N GLY A 70 -8.540 1.255 -3.143 1.00 1.00 N ATOM 1086 CA GLY A 70 -7.316 0.660 -2.634 1.00 1.00 C ATOM 1087 C GLY A 70 -6.380 0.348 -3.804 1.00 1.00 C ATOM 1088 O GLY A 70 -6.870 0.244 -4.939 1.00 1.00 O ATOM 0 H GLY A 70 -8.396 2.098 -3.698 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -6.830 1.342 -1.936 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -7.544 -0.252 -2.082 1.00 1.00 H new ATOM 1092 N PHE A 71 -5.075 0.207 -3.511 1.00 1.00 N ATOM 1093 CA PHE A 71 -4.085 -0.089 -4.532 1.00 1.00 C ATOM 1094 C PHE A 71 -3.817 1.170 -5.358 1.00 1.00 C ATOM 1095 O PHE A 71 -3.256 1.090 -6.450 1.00 1.00 O ATOM 1096 CB PHE A 71 -4.605 -1.231 -5.427 1.00 1.00 C ATOM 1097 CG PHE A 71 -3.517 -2.099 -6.045 1.00 1.00 C ATOM 1098 CD1 PHE A 71 -2.203 -1.597 -6.199 1.00 1.00 C ATOM 1099 CD2 PHE A 71 -3.818 -3.412 -6.476 1.00 1.00 C ATOM 1100 CE1 PHE A 71 -1.199 -2.403 -6.777 1.00 1.00 C ATOM 1101 CE2 PHE A 71 -2.813 -4.217 -7.052 1.00 1.00 C ATOM 1102 CZ PHE A 71 -1.503 -3.713 -7.203 1.00 1.00 C ATOM 0 H PHE A 71 -4.692 0.296 -2.570 1.00 1.00 H new ATOM 0 HA PHE A 71 -3.150 -0.406 -4.069 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -5.266 -1.866 -4.836 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -5.207 -0.802 -6.228 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -1.968 -0.594 -5.873 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -4.820 -3.799 -6.364 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -0.197 -2.017 -6.893 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -3.046 -5.220 -7.378 1.00 1.00 H new ATOM 0 HZ PHE A 71 -0.734 -4.330 -7.644 1.00 1.00 H new TER 1112 PHE A 71