USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1052 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 82 HIS : no HE2:sc= -0.379 K(o=0.58,f=-6.6!) USER MOD Set 1.2: A 88 SER OG : rot 166:sc= 0.96 USER MOD Set 2.1: A 73 CYS SG : rot -130:sc= 0.0711 USER MOD Set 2.2: A 91 HIS : no HD1:sc= 0.138 K(o=1,f=-6.8!) USER MOD Set 2.3: A 115 HIS : no HE2:sc= 0.799 K(o=1,f=-6.9!) USER MOD Set 3.1: A 46 HIS : no HD1:sc= 0.0664 K(o=0.74,f=-3.7!) USER MOD Set 3.2: A 55 GLN : amide:sc= 0.676 X(o=0.74,f=0.72) USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 1.53 (180deg=1.53) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 0.786 (180deg=0.681) USER MOD Single : A 6 TYR OH : rot -16:sc= 0.904 USER MOD Single : A 9 MET CE :methyl 177:sc= -0.351 (180deg=-0.377) USER MOD Single : A 11 ASN : amide:sc= 0.463 X(o=0.46,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0143 K(o=-0.014,f=-1.4!) USER MOD Single : A 27 THR OG1 : rot 73:sc= 0.562 USER MOD Single : A 30 ASN : amide:sc= -0.0814 K(o=-0.081,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0569 K(o=-0.057,f=-1.7!) USER MOD Single : A 40 TYR OH : rot -92:sc= 1.64 USER MOD Single : A 41 ASN : amide:sc= -0.924 K(o=-0.92,f=-5.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -94:sc= -0.419 USER MOD Single : A 58 CYS SG : rot 161:sc= -0.774 USER MOD Single : A 62 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -58:sc= 0.455 USER MOD Single : A 75 THR OG1 : rot 159:sc= 0.848 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 1.54 K(o=1.5,f=-1) USER MOD Single : A 80 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-4.1!) USER MOD Single : A 84 THR OG1 : rot -69:sc= 0.902 USER MOD Single : A 87 MET CE :methyl 153:sc= 0 (180deg=-0.0752) USER MOD Single : A 89 MET CE :methyl 169:sc= -0.959 (180deg=-1.05) USER MOD Single : A 96 THR OG1 : rot 62:sc= 0.492 USER MOD Single : A 98 SER OG : rot -59:sc= 0.235 USER MOD Single : A 99 CYS SG : rot 170:sc= 0.0275 USER MOD Single : A 100 GLN : amide:sc= 2.06 K(o=2.1,f=-3.3!) USER MOD Single : A 105 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.4!) USER MOD Single : A 108 GLN : amide:sc= 0.756 K(o=0.76,f=-0.12) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 146:sc= 0.463 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0.017) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 170:sc= -0.272 USER MOD Single : A 125 MET CE :methyl -173:sc= 0 (180deg=-0.0611) USER MOD Single : A 130 THR OG1 : rot -75:sc= 0.734 USER MOD Single : A 131 MET CE :methyl 150:sc= -1.69 (180deg=-2.24) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -1.12 K(o=-1.1,f=-6.5!) USER MOD Single : A 137 MET CE :methyl -118:sc= 0 (180deg=-0.0561) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -4.711 0.979 -14.005 1.00 0.00 N ATOM 19 CA ALA A 2 -4.560 0.426 -12.663 1.00 0.00 C ATOM 20 C ALA A 2 -3.330 0.995 -11.968 1.00 0.00 C ATOM 21 O ALA A 2 -2.411 1.492 -12.619 1.00 0.00 O ATOM 22 CB ALA A 2 -4.480 -1.092 -12.722 1.00 0.00 C ATOM 0 HA ALA A 2 -5.437 0.710 -12.081 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.367 -1.490 -11.713 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.392 -1.487 -13.168 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.623 -1.388 -13.327 1.00 0.00 H new ATOM 28 N LYS A 3 -3.318 0.917 -10.642 1.00 0.00 N ATOM 29 CA LYS A 3 -2.177 1.376 -9.858 1.00 0.00 C ATOM 30 C LYS A 3 -1.582 0.242 -9.034 1.00 0.00 C ATOM 31 O LYS A 3 -2.298 -0.468 -8.329 1.00 0.00 O ATOM 32 CB LYS A 3 -2.587 2.532 -8.944 1.00 0.00 C ATOM 33 CG LYS A 3 -2.914 3.827 -9.675 1.00 0.00 C ATOM 34 CD LYS A 3 -3.102 4.980 -8.700 1.00 0.00 C ATOM 35 CE LYS A 3 -3.354 6.290 -9.431 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.131 6.787 -10.119 1.00 0.00 N ATOM 0 H LYS A 3 -4.086 0.540 -10.087 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.414 1.727 -10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.457 2.228 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.781 2.723 -8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.112 4.066 -10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.821 3.695 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.940 4.765 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.216 5.076 -8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.150 6.150 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.701 7.041 -8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.349 7.672 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.384 6.961 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.804 6.075 -10.803 1.00 0.00 H new ATOM 50 N LYS A 4 -0.266 0.077 -9.128 1.00 0.00 N ATOM 51 CA LYS A 4 0.437 -0.928 -8.339 1.00 0.00 C ATOM 52 C LYS A 4 1.711 -0.356 -7.730 1.00 0.00 C ATOM 53 O LYS A 4 2.067 0.796 -7.979 1.00 0.00 O ATOM 54 CB LYS A 4 0.767 -2.149 -9.199 1.00 0.00 C ATOM 55 CG LYS A 4 -0.448 -2.850 -9.790 1.00 0.00 C ATOM 56 CD LYS A 4 -0.044 -4.080 -10.588 1.00 0.00 C ATOM 57 CE LYS A 4 -1.261 -4.860 -11.062 1.00 0.00 C ATOM 58 NZ LYS A 4 -0.880 -6.065 -11.846 1.00 0.00 N ATOM 0 H LYS A 4 0.335 0.626 -9.743 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.221 -1.236 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.423 -1.839 -10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.325 -2.864 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.128 -3.141 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.992 -2.159 -10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.553 -3.777 -11.448 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.585 -4.724 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.856 -5.162 -10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.890 -4.214 -11.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.721 -6.656 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.485 -5.772 -12.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.168 -6.610 -11.320 1.00 0.00 H new ATOM 72 N GLY A 5 2.394 -1.168 -6.930 1.00 0.00 N ATOM 73 CA GLY A 5 3.695 -0.795 -6.389 1.00 0.00 C ATOM 74 C GLY A 5 4.349 -1.966 -5.669 1.00 0.00 C ATOM 75 O GLY A 5 3.813 -3.073 -5.650 1.00 0.00 O ATOM 0 H GLY A 5 2.067 -2.090 -6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.343 -0.454 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.579 0.040 -5.699 1.00 0.00 H new ATOM 79 N TYR A 6 5.512 -1.716 -5.077 1.00 0.00 N ATOM 80 CA TYR A 6 6.214 -2.733 -4.304 1.00 0.00 C ATOM 81 C TYR A 6 7.035 -2.107 -3.184 1.00 0.00 C ATOM 82 O TYR A 6 7.394 -0.931 -3.248 1.00 0.00 O ATOM 83 CB TYR A 6 7.114 -3.571 -5.216 1.00 0.00 C ATOM 84 CG TYR A 6 8.267 -2.797 -5.813 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.444 -2.639 -5.095 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.150 -2.245 -7.081 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.497 -1.932 -5.641 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.203 -1.538 -7.627 1.00 0.00 C ATOM 89 CZ TYR A 6 10.373 -1.381 -6.912 1.00 0.00 C ATOM 90 OH TYR A 6 11.423 -0.676 -7.455 1.00 0.00 O ATOM 0 H TYR A 6 5.989 -0.815 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 6 5.466 -3.384 -3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.509 -4.413 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.511 -3.987 -6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.536 -3.069 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.235 -2.368 -7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.413 -1.807 -5.083 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.111 -1.108 -8.613 1.00 0.00 H new ATOM 0 HH TYR A 6 12.058 -0.439 -6.748 1.00 0.00 H new ATOM 100 N ILE A 7 7.327 -2.899 -2.158 1.00 0.00 N ATOM 101 CA ILE A 7 8.200 -2.459 -1.077 1.00 0.00 C ATOM 102 C ILE A 7 9.445 -3.333 -0.984 1.00 0.00 C ATOM 103 O ILE A 7 9.366 -4.506 -0.619 1.00 0.00 O ATOM 104 CB ILE A 7 7.458 -2.480 0.272 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.259 -1.529 0.235 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.402 -2.108 1.405 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.414 -1.561 1.489 1.00 0.00 C ATOM 0 H ILE A 7 6.972 -3.849 -2.053 1.00 0.00 H new ATOM 0 HA ILE A 7 8.504 -1.437 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 7 7.091 -3.491 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.619 -0.512 0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.633 -1.782 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.861 -2.128 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.225 -2.822 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.798 -1.107 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.585 -0.861 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.023 -2.567 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.024 -1.278 2.346 1.00 0.00 H new ATOM 119 N LEU A 8 10.594 -2.754 -1.318 1.00 0.00 N ATOM 120 CA LEU A 8 11.873 -3.435 -1.147 1.00 0.00 C ATOM 121 C LEU A 8 12.474 -3.141 0.222 1.00 0.00 C ATOM 122 O LEU A 8 12.737 -1.987 0.560 1.00 0.00 O ATOM 123 CB LEU A 8 12.852 -3.004 -2.246 1.00 0.00 C ATOM 124 CG LEU A 8 14.287 -3.528 -2.100 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.289 -5.046 -2.215 1.00 0.00 C ATOM 126 CD2 LEU A 8 15.169 -2.897 -3.167 1.00 0.00 C ATOM 0 H LEU A 8 10.666 -1.815 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 8 11.695 -4.508 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.460 -3.335 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.883 -1.915 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 8 14.684 -3.258 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.309 -5.417 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.666 -5.471 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.894 -5.338 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.188 -3.269 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.787 -3.156 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.165 -1.813 -3.049 1.00 0.00 H new ATOM 138 N MET A 9 12.687 -4.193 1.005 1.00 0.00 N ATOM 139 CA MET A 9 13.262 -4.049 2.338 1.00 0.00 C ATOM 140 C MET A 9 14.776 -4.201 2.305 1.00 0.00 C ATOM 141 O MET A 9 15.325 -4.867 1.427 1.00 0.00 O ATOM 142 CB MET A 9 12.645 -5.072 3.290 1.00 0.00 C ATOM 143 CG MET A 9 11.131 -4.979 3.420 1.00 0.00 C ATOM 144 SD MET A 9 10.586 -3.390 4.079 1.00 0.00 S ATOM 145 CE MET A 9 11.136 -3.521 5.777 1.00 0.00 C ATOM 0 H MET A 9 12.470 -5.154 0.740 1.00 0.00 H new ATOM 0 HA MET A 9 13.035 -3.046 2.699 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.907 -6.073 2.947 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.090 -4.946 4.277 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.676 -5.138 2.442 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.776 -5.779 4.070 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.919 -2.591 6.303 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.615 -4.344 6.266 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.210 -3.707 5.798 1.00 0.00 H new ATOM 155 N GLU A 10 15.449 -3.578 3.267 1.00 0.00 N ATOM 156 CA GLU A 10 16.902 -3.662 3.363 1.00 0.00 C ATOM 157 C GLU A 10 17.358 -5.100 3.571 1.00 0.00 C ATOM 158 O GLU A 10 18.487 -5.459 3.230 1.00 0.00 O ATOM 159 CB GLU A 10 17.412 -2.785 4.508 1.00 0.00 C ATOM 160 CG GLU A 10 18.915 -2.545 4.496 1.00 0.00 C ATOM 161 CD GLU A 10 19.383 -1.823 3.263 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.805 -0.816 2.933 1.00 0.00 O ATOM 163 OE2 GLU A 10 20.319 -2.281 2.651 1.00 0.00 O ATOM 0 H GLU A 10 15.011 -3.009 3.992 1.00 0.00 H new ATOM 0 HA GLU A 10 17.319 -3.302 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.902 -1.822 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.138 -3.250 5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 10 19.192 -1.966 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.431 -3.502 4.568 1.00 0.00 H new ATOM 170 N ASN A 11 16.476 -5.920 4.131 1.00 0.00 N ATOM 171 CA ASN A 11 16.797 -7.315 4.410 1.00 0.00 C ATOM 172 C ASN A 11 16.341 -8.223 3.276 1.00 0.00 C ATOM 173 O ASN A 11 16.307 -9.445 3.421 1.00 0.00 O ATOM 174 CB ASN A 11 16.178 -7.752 5.725 1.00 0.00 C ATOM 175 CG ASN A 11 16.840 -7.115 6.914 1.00 0.00 C ATOM 176 OD1 ASN A 11 18.013 -7.378 7.204 1.00 0.00 O ATOM 177 ND2 ASN A 11 16.112 -6.280 7.611 1.00 0.00 N ATOM 0 H ASN A 11 15.532 -5.643 4.401 1.00 0.00 H new ATOM 0 HA ASN A 11 17.881 -7.399 4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.118 -7.499 5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.247 -8.836 5.813 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.509 -5.817 8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.148 -6.092 7.336 1.00 0.00 H new ATOM 184 N GLY A 12 15.989 -7.619 2.145 1.00 0.00 N ATOM 185 CA GLY A 12 15.693 -8.373 0.933 1.00 0.00 C ATOM 186 C GLY A 12 14.245 -8.845 0.918 1.00 0.00 C ATOM 187 O GLY A 12 13.855 -9.656 0.077 1.00 0.00 O ATOM 0 H GLY A 12 15.902 -6.608 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.885 -7.751 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.359 -9.233 0.865 1.00 0.00 H new ATOM 191 N GLY A 13 13.451 -8.333 1.851 1.00 0.00 N ATOM 192 CA GLY A 13 12.049 -8.718 1.961 1.00 0.00 C ATOM 193 C GLY A 13 11.189 -7.954 0.963 1.00 0.00 C ATOM 194 O GLY A 13 10.330 -7.162 1.348 1.00 0.00 O ATOM 0 H GLY A 13 13.755 -7.649 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.948 -9.789 1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.694 -8.525 2.973 1.00 0.00 H new ATOM 198 N LYS A 14 11.426 -8.197 -0.322 1.00 0.00 N ATOM 199 CA LYS A 14 10.735 -7.469 -1.380 1.00 0.00 C ATOM 200 C LYS A 14 9.331 -8.019 -1.602 1.00 0.00 C ATOM 201 O LYS A 14 9.162 -9.173 -1.993 1.00 0.00 O ATOM 202 CB LYS A 14 11.535 -7.529 -2.682 1.00 0.00 C ATOM 203 CG LYS A 14 10.961 -6.686 -3.813 1.00 0.00 C ATOM 204 CD LYS A 14 11.851 -6.734 -5.045 1.00 0.00 C ATOM 205 CE LYS A 14 11.281 -5.887 -6.174 1.00 0.00 C ATOM 206 NZ LYS A 14 12.123 -5.954 -7.399 1.00 0.00 N ATOM 0 H LYS A 14 12.092 -8.893 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 14 10.647 -6.429 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.555 -7.201 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.592 -8.566 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.964 -7.046 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.852 -5.654 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.849 -6.378 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.957 -7.766 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.272 -6.226 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.201 -4.851 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.700 -5.364 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.079 -5.606 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.179 -6.939 -7.728 1.00 0.00 H new ATOM 220 N ILE A 15 8.328 -7.186 -1.348 1.00 0.00 N ATOM 221 CA ILE A 15 6.938 -7.582 -1.532 1.00 0.00 C ATOM 222 C ILE A 15 6.229 -6.667 -2.522 1.00 0.00 C ATOM 223 O ILE A 15 6.636 -5.523 -2.725 1.00 0.00 O ATOM 224 CB ILE A 15 6.182 -7.571 -0.190 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.087 -6.145 0.358 1.00 0.00 C ATOM 226 CG2 ILE A 15 6.866 -8.486 0.813 1.00 0.00 C ATOM 227 CD1 ILE A 15 4.835 -5.410 -0.065 1.00 0.00 C ATOM 0 H ILE A 15 8.453 -6.231 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 15 6.941 -8.596 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 15 5.171 -7.942 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.125 -6.181 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.958 -5.580 0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.319 -8.466 1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.883 -9.504 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.888 -8.144 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.840 -4.407 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.803 -5.341 -1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.958 -5.951 0.290 1.00 0.00 H new ATOM 239 N GLU A 16 5.167 -7.177 -3.136 1.00 0.00 N ATOM 240 CA GLU A 16 4.408 -6.411 -4.117 1.00 0.00 C ATOM 241 C GLU A 16 2.966 -6.216 -3.667 1.00 0.00 C ATOM 242 O GLU A 16 2.399 -7.067 -2.983 1.00 0.00 O ATOM 243 CB GLU A 16 4.438 -7.109 -5.479 1.00 0.00 C ATOM 244 CG GLU A 16 5.826 -7.237 -6.089 1.00 0.00 C ATOM 245 CD GLU A 16 5.808 -7.851 -7.461 1.00 0.00 C ATOM 246 OE1 GLU A 16 4.747 -8.203 -7.920 1.00 0.00 O ATOM 247 OE2 GLU A 16 6.856 -7.967 -8.053 1.00 0.00 O ATOM 0 H GLU A 16 4.812 -8.119 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 16 4.875 -5.430 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.008 -8.105 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.800 -6.558 -6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.285 -6.250 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.451 -7.843 -5.433 1.00 0.00 H new ATOM 254 N PHE A 17 2.377 -5.090 -4.057 1.00 0.00 N ATOM 255 CA PHE A 17 1.025 -4.746 -3.632 1.00 0.00 C ATOM 256 C PHE A 17 0.273 -4.010 -4.733 1.00 0.00 C ATOM 257 O PHE A 17 0.873 -3.533 -5.695 1.00 0.00 O ATOM 258 CB PHE A 17 1.066 -3.883 -2.369 1.00 0.00 C ATOM 259 CG PHE A 17 1.728 -2.550 -2.567 1.00 0.00 C ATOM 260 CD1 PHE A 17 1.016 -1.474 -3.076 1.00 0.00 C ATOM 261 CD2 PHE A 17 3.065 -2.368 -2.245 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.624 -0.247 -3.259 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.675 -1.143 -2.425 1.00 0.00 C ATOM 264 CZ PHE A 17 2.954 -0.080 -2.933 1.00 0.00 C ATOM 0 H PHE A 17 2.815 -4.400 -4.667 1.00 0.00 H new ATOM 0 HA PHE A 17 0.498 -5.675 -3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.047 -3.723 -2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.593 -4.427 -1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.026 -1.597 -3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.636 -3.195 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.058 0.582 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.716 -1.016 -2.169 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.430 0.879 -3.075 1.00 0.00 H new ATOM 274 N GLU A 18 -1.044 -3.919 -4.583 1.00 0.00 N ATOM 275 CA GLU A 18 -1.876 -3.195 -5.538 1.00 0.00 C ATOM 276 C GLU A 18 -2.648 -2.074 -4.855 1.00 0.00 C ATOM 277 O GLU A 18 -2.933 -2.142 -3.661 1.00 0.00 O ATOM 278 CB GLU A 18 -2.850 -4.152 -6.229 1.00 0.00 C ATOM 279 CG GLU A 18 -2.185 -5.199 -7.110 1.00 0.00 C ATOM 280 CD GLU A 18 -3.174 -6.090 -7.808 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.351 -5.917 -7.600 1.00 0.00 O ATOM 282 OE2 GLU A 18 -2.752 -6.945 -8.551 1.00 0.00 O ATOM 0 H GLU A 18 -1.559 -4.338 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.218 -2.752 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.443 -4.659 -5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.542 -3.570 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.565 -4.699 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.520 -5.810 -6.500 1.00 0.00 H new ATOM 289 N LEU A 19 -2.982 -1.041 -5.622 1.00 0.00 N ATOM 290 CA LEU A 19 -3.688 0.115 -5.084 1.00 0.00 C ATOM 291 C LEU A 19 -5.091 0.225 -5.670 1.00 0.00 C ATOM 292 O LEU A 19 -5.364 -0.293 -6.752 1.00 0.00 O ATOM 293 CB LEU A 19 -2.903 1.400 -5.377 1.00 0.00 C ATOM 294 CG LEU A 19 -1.497 1.473 -4.768 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.798 2.736 -5.251 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.599 1.451 -3.250 1.00 0.00 C ATOM 0 H LEU A 19 -2.775 -0.981 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.775 -0.018 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.817 1.513 -6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.482 2.249 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.909 0.612 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.201 2.787 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.722 2.716 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.372 3.610 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.600 1.503 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.185 2.306 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.085 0.529 -2.931 1.00 0.00 H new ATOM 308 N PHE A 20 -5.975 0.906 -4.949 1.00 0.00 N ATOM 309 CA PHE A 20 -7.356 1.072 -5.389 1.00 0.00 C ATOM 310 C PHE A 20 -7.775 2.537 -5.343 1.00 0.00 C ATOM 311 O PHE A 20 -8.444 2.972 -4.406 1.00 0.00 O ATOM 312 CB PHE A 20 -8.298 0.240 -4.518 1.00 0.00 C ATOM 313 CG PHE A 20 -7.962 -1.224 -4.489 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.164 -2.019 -5.607 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.442 -1.809 -3.344 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.856 -3.365 -5.582 1.00 0.00 C ATOM 317 CE2 PHE A 20 -7.131 -3.156 -3.317 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.339 -3.934 -4.435 1.00 0.00 C ATOM 0 H PHE A 20 -5.760 1.352 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.420 0.725 -6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.275 0.629 -3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.318 0.362 -4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.567 -1.580 -6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.278 -1.206 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.020 -3.973 -6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.725 -3.598 -2.419 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.098 -4.987 -4.414 1.00 0.00 H new ATOM 328 N PRO A 21 -7.379 3.292 -6.363 1.00 0.00 N ATOM 329 CA PRO A 21 -7.733 4.703 -6.452 1.00 0.00 C ATOM 330 C PRO A 21 -9.231 4.883 -6.658 1.00 0.00 C ATOM 331 O PRO A 21 -9.767 5.974 -6.466 1.00 0.00 O ATOM 332 CB PRO A 21 -6.934 5.182 -7.669 1.00 0.00 C ATOM 333 CG PRO A 21 -6.740 3.951 -8.487 1.00 0.00 C ATOM 334 CD PRO A 21 -6.527 2.858 -7.473 1.00 0.00 C ATOM 0 HA PRO A 21 -7.504 5.264 -5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.475 5.948 -8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.980 5.618 -7.373 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.609 3.749 -9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.883 4.048 -9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.825 1.883 -7.858 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.481 2.777 -7.176 1.00 0.00 H new ATOM 342 N ASN A 22 -9.903 3.806 -7.050 1.00 0.00 N ATOM 343 CA ASN A 22 -11.351 3.828 -7.224 1.00 0.00 C ATOM 344 C ASN A 22 -12.069 3.629 -5.896 1.00 0.00 C ATOM 345 O ASN A 22 -13.287 3.787 -5.807 1.00 0.00 O ATOM 346 CB ASN A 22 -11.783 2.774 -8.228 1.00 0.00 C ATOM 347 CG ASN A 22 -11.380 3.119 -9.635 1.00 0.00 C ATOM 348 OD1 ASN A 22 -11.160 4.290 -9.963 1.00 0.00 O ATOM 349 ND2 ASN A 22 -11.277 2.119 -10.473 1.00 0.00 N ATOM 0 H ASN A 22 -9.468 2.906 -7.253 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.628 4.809 -7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.345 1.814 -7.953 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.866 2.656 -8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.005 2.291 -11.441 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.468 1.168 -10.158 1.00 0.00 H new ATOM 356 N GLU A 23 -11.308 3.279 -4.864 1.00 0.00 N ATOM 357 CA GLU A 23 -11.867 3.084 -3.531 1.00 0.00 C ATOM 358 C GLU A 23 -11.461 4.213 -2.593 1.00 0.00 C ATOM 359 O GLU A 23 -12.249 4.646 -1.752 1.00 0.00 O ATOM 360 CB GLU A 23 -11.414 1.740 -2.955 1.00 0.00 C ATOM 361 CG GLU A 23 -11.862 0.528 -3.758 1.00 0.00 C ATOM 362 CD GLU A 23 -13.323 0.218 -3.582 1.00 0.00 C ATOM 363 OE1 GLU A 23 -13.929 0.783 -2.704 1.00 0.00 O ATOM 364 OE2 GLU A 23 -13.833 -0.584 -4.328 1.00 0.00 O ATOM 0 H GLU A 23 -10.302 3.124 -4.925 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.953 3.087 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.326 1.735 -2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.795 1.648 -1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.657 0.702 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.273 -0.339 -3.458 1.00 0.00 H new ATOM 371 N ALA A 24 -10.228 4.684 -2.741 1.00 0.00 N ATOM 372 CA ALA A 24 -9.734 5.801 -1.944 1.00 0.00 C ATOM 373 C ALA A 24 -8.844 6.718 -2.773 1.00 0.00 C ATOM 374 O ALA A 24 -7.618 6.660 -2.679 1.00 0.00 O ATOM 375 CB ALA A 24 -8.978 5.289 -0.727 1.00 0.00 C ATOM 0 H ALA A 24 -9.551 4.309 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.594 6.380 -1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.615 6.134 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.644 4.682 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.132 4.683 -1.052 1.00 0.00 H new ATOM 381 N PRO A 25 -9.468 7.564 -3.585 1.00 0.00 N ATOM 382 CA PRO A 25 -8.733 8.433 -4.498 1.00 0.00 C ATOM 383 C PRO A 25 -7.672 9.237 -3.758 1.00 0.00 C ATOM 384 O PRO A 25 -6.516 9.294 -4.180 1.00 0.00 O ATOM 385 CB PRO A 25 -9.830 9.337 -5.070 1.00 0.00 C ATOM 386 CG PRO A 25 -11.047 8.475 -5.079 1.00 0.00 C ATOM 387 CD PRO A 25 -10.944 7.669 -3.812 1.00 0.00 C ATOM 0 HA PRO A 25 -8.187 7.888 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.975 10.225 -4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.579 9.682 -6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.958 9.074 -5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.072 7.832 -5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.444 8.164 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.404 6.687 -3.922 1.00 0.00 H new ATOM 395 N VAL A 26 -8.069 9.858 -2.653 1.00 0.00 N ATOM 396 CA VAL A 26 -7.210 10.807 -1.955 1.00 0.00 C ATOM 397 C VAL A 26 -6.042 10.098 -1.280 1.00 0.00 C ATOM 398 O VAL A 26 -4.886 10.484 -1.452 1.00 0.00 O ATOM 399 CB VAL A 26 -8.017 11.582 -0.898 1.00 0.00 C ATOM 400 CG1 VAL A 26 -7.096 12.456 -0.059 1.00 0.00 C ATOM 401 CG2 VAL A 26 -9.087 12.423 -1.577 1.00 0.00 C ATOM 0 H VAL A 26 -8.983 9.721 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.815 11.503 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.504 10.869 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.684 12.997 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.361 11.830 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.583 13.169 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.654 12.969 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.615 13.131 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.760 11.773 -2.137 1.00 0.00 H new ATOM 411 N THR A 27 -6.352 9.060 -0.510 1.00 0.00 N ATOM 412 CA THR A 27 -5.335 8.331 0.238 1.00 0.00 C ATOM 413 C THR A 27 -4.320 7.686 -0.697 1.00 0.00 C ATOM 414 O THR A 27 -3.117 7.717 -0.440 1.00 0.00 O ATOM 415 CB THR A 27 -5.972 7.253 1.134 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.875 7.870 2.061 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.901 6.495 1.902 1.00 0.00 C ATOM 0 H THR A 27 -7.300 8.705 -0.388 1.00 0.00 H new ATOM 0 HA THR A 27 -4.819 9.054 0.870 1.00 0.00 H new ATOM 0 HB THR A 27 -6.515 6.551 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.680 8.165 1.586 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.371 5.738 2.530 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.221 6.013 1.199 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.342 7.190 2.529 1.00 0.00 H new ATOM 425 N VAL A 28 -4.813 7.100 -1.783 1.00 0.00 N ATOM 426 CA VAL A 28 -3.947 6.480 -2.779 1.00 0.00 C ATOM 427 C VAL A 28 -3.031 7.509 -3.430 1.00 0.00 C ATOM 428 O VAL A 28 -1.835 7.271 -3.598 1.00 0.00 O ATOM 429 CB VAL A 28 -4.791 5.788 -3.866 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.916 5.384 -5.043 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.498 4.577 -3.279 1.00 0.00 C ATOM 0 H VAL A 28 -5.809 7.041 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.332 5.739 -2.267 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.543 6.488 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.529 4.897 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.448 6.271 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.144 4.694 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.093 4.092 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.758 3.874 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.150 4.895 -2.466 1.00 0.00 H new ATOM 441 N ALA A 29 -3.599 8.653 -3.793 1.00 0.00 N ATOM 442 CA ALA A 29 -2.827 9.736 -4.391 1.00 0.00 C ATOM 443 C ALA A 29 -1.680 10.160 -3.484 1.00 0.00 C ATOM 444 O ALA A 29 -0.535 10.272 -3.923 1.00 0.00 O ATOM 445 CB ALA A 29 -3.729 10.924 -4.695 1.00 0.00 C ATOM 0 H ALA A 29 -4.593 8.855 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.400 9.370 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.139 11.724 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.511 10.619 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.185 11.281 -3.771 1.00 0.00 H new ATOM 451 N ASN A 30 -1.992 10.396 -2.213 1.00 0.00 N ATOM 452 CA ASN A 30 -0.991 10.828 -1.246 1.00 0.00 C ATOM 453 C ASN A 30 0.078 9.763 -1.045 1.00 0.00 C ATOM 454 O ASN A 30 1.270 10.068 -0.992 1.00 0.00 O ATOM 455 CB ASN A 30 -1.646 11.183 0.077 1.00 0.00 C ATOM 456 CG ASN A 30 -2.397 12.484 0.020 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.163 13.312 -0.867 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.296 12.680 0.951 1.00 0.00 N ATOM 0 H ASN A 30 -2.932 10.295 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.505 11.719 -1.643 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.330 10.385 0.365 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.882 11.243 0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.837 13.545 0.964 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.456 11.968 1.664 1.00 0.00 H new ATOM 465 N PHE A 31 -0.354 8.512 -0.937 1.00 0.00 N ATOM 466 CA PHE A 31 0.570 7.390 -0.810 1.00 0.00 C ATOM 467 C PHE A 31 1.558 7.357 -1.968 1.00 0.00 C ATOM 468 O PHE A 31 2.766 7.237 -1.763 1.00 0.00 O ATOM 469 CB PHE A 31 -0.199 6.068 -0.750 1.00 0.00 C ATOM 470 CG PHE A 31 0.685 4.858 -0.648 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.174 4.442 0.580 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.029 4.134 -1.780 1.00 0.00 C ATOM 473 CE1 PHE A 31 1.987 3.328 0.677 1.00 0.00 C ATOM 474 CE2 PHE A 31 1.840 3.020 -1.687 1.00 0.00 C ATOM 475 CZ PHE A 31 2.320 2.617 -0.457 1.00 0.00 C ATOM 0 H PHE A 31 -1.339 8.248 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 31 1.128 7.523 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.872 6.088 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.820 5.979 -1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.917 4.994 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.658 4.445 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.361 3.015 1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.099 2.464 -2.576 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.955 1.747 -0.383 1.00 0.00 H new ATOM 485 N GLU A 32 1.038 7.465 -3.186 1.00 0.00 N ATOM 486 CA GLU A 32 1.876 7.469 -4.379 1.00 0.00 C ATOM 487 C GLU A 32 2.870 8.623 -4.350 1.00 0.00 C ATOM 488 O GLU A 32 4.053 8.445 -4.642 1.00 0.00 O ATOM 489 CB GLU A 32 1.011 7.561 -5.638 1.00 0.00 C ATOM 490 CG GLU A 32 1.800 7.635 -6.939 1.00 0.00 C ATOM 491 CD GLU A 32 0.919 7.629 -8.158 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.271 7.489 -8.007 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.437 7.764 -9.241 1.00 0.00 O ATOM 0 H GLU A 32 0.039 7.551 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 32 2.436 6.534 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.352 6.694 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.374 8.442 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.406 8.541 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.488 6.791 -6.990 1.00 0.00 H new ATOM 500 N LYS A 33 2.383 9.808 -3.996 1.00 0.00 N ATOM 501 CA LYS A 33 3.227 10.995 -3.932 1.00 0.00 C ATOM 502 C LYS A 33 4.383 10.797 -2.961 1.00 0.00 C ATOM 503 O LYS A 33 5.528 11.133 -3.266 1.00 0.00 O ATOM 504 CB LYS A 33 2.403 12.218 -3.527 1.00 0.00 C ATOM 505 CG LYS A 33 1.454 12.723 -4.606 1.00 0.00 C ATOM 506 CD LYS A 33 0.641 13.911 -4.114 1.00 0.00 C ATOM 507 CE LYS A 33 -0.322 14.405 -5.185 1.00 0.00 C ATOM 508 NZ LYS A 33 -1.117 15.574 -4.721 1.00 0.00 N ATOM 0 H LYS A 33 1.407 9.971 -3.749 1.00 0.00 H new ATOM 0 HA LYS A 33 3.642 11.162 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.824 11.972 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.083 13.024 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.024 13.010 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.782 11.919 -4.908 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.082 13.627 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.313 14.719 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.239 14.679 -6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.996 13.597 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.760 15.880 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.672 15.306 -3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.475 16.355 -4.476 1.00 0.00 H new ATOM 522 N LEU A 34 4.079 10.251 -1.789 1.00 0.00 N ATOM 523 CA LEU A 34 5.099 9.970 -0.786 1.00 0.00 C ATOM 524 C LEU A 34 6.163 9.027 -1.331 1.00 0.00 C ATOM 525 O LEU A 34 7.360 9.264 -1.166 1.00 0.00 O ATOM 526 CB LEU A 34 4.456 9.359 0.466 1.00 0.00 C ATOM 527 CG LEU A 34 3.613 10.317 1.317 1.00 0.00 C ATOM 528 CD1 LEU A 34 2.869 9.526 2.385 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.516 11.368 1.945 1.00 0.00 C ATOM 0 H LEU A 34 3.132 9.994 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 34 5.579 10.913 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.825 8.526 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.246 8.946 1.093 1.00 0.00 H new ATOM 0 HG LEU A 34 2.880 10.825 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.270 10.206 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.217 8.794 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.587 9.010 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.916 12.049 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.258 10.880 2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.021 11.930 1.159 1.00 0.00 H new ATOM 541 N ALA A 35 5.720 7.956 -1.981 1.00 0.00 N ATOM 542 CA ALA A 35 6.634 6.988 -2.575 1.00 0.00 C ATOM 543 C ALA A 35 7.528 7.643 -3.619 1.00 0.00 C ATOM 544 O ALA A 35 8.729 7.379 -3.675 1.00 0.00 O ATOM 545 CB ALA A 35 5.857 5.835 -3.192 1.00 0.00 C ATOM 0 H ALA A 35 4.732 7.737 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 35 7.272 6.598 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.553 5.121 -3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.267 5.339 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.193 6.217 -3.967 1.00 0.00 H new ATOM 551 N ASN A 36 6.935 8.498 -4.445 1.00 0.00 N ATOM 552 CA ASN A 36 7.677 9.190 -5.492 1.00 0.00 C ATOM 553 C ASN A 36 8.732 10.117 -4.899 1.00 0.00 C ATOM 554 O ASN A 36 9.803 10.303 -5.477 1.00 0.00 O ATOM 555 CB ASN A 36 6.732 9.965 -6.393 1.00 0.00 C ATOM 556 CG ASN A 36 5.958 9.072 -7.322 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.357 7.931 -7.582 1.00 0.00 O ATOM 558 ND2 ASN A 36 4.857 9.567 -7.827 1.00 0.00 N ATOM 0 H ASN A 36 5.942 8.728 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 36 8.190 8.438 -6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.035 10.535 -5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.303 10.685 -6.979 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.290 9.006 -8.463 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.566 10.514 -7.585 1.00 0.00 H new ATOM 565 N GLU A 37 8.422 10.695 -3.744 1.00 0.00 N ATOM 566 CA GLU A 37 9.339 11.609 -3.074 1.00 0.00 C ATOM 567 C GLU A 37 10.417 10.848 -2.314 1.00 0.00 C ATOM 568 O GLU A 37 11.338 11.447 -1.758 1.00 0.00 O ATOM 569 CB GLU A 37 8.575 12.525 -2.116 1.00 0.00 C ATOM 570 CG GLU A 37 7.662 13.531 -2.802 1.00 0.00 C ATOM 571 CD GLU A 37 6.837 14.329 -1.831 1.00 0.00 C ATOM 572 OE1 GLU A 37 6.941 14.086 -0.652 1.00 0.00 O ATOM 573 OE2 GLU A 37 6.102 15.183 -2.268 1.00 0.00 O ATOM 0 H GLU A 37 7.541 10.546 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 37 9.822 12.216 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.977 11.910 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.293 13.066 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.266 14.211 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.998 13.004 -3.487 1.00 0.00 H new ATOM 580 N GLY A 38 10.298 9.525 -2.292 1.00 0.00 N ATOM 581 CA GLY A 38 11.246 8.682 -1.575 1.00 0.00 C ATOM 582 C GLY A 38 10.997 8.725 -0.073 1.00 0.00 C ATOM 583 O GLY A 38 11.893 8.443 0.723 1.00 0.00 O ATOM 0 H GLY A 38 9.553 9.013 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.164 7.655 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.263 9.012 -1.787 1.00 0.00 H new ATOM 587 N PHE A 39 9.775 9.079 0.308 1.00 0.00 N ATOM 588 CA PHE A 39 9.431 9.252 1.714 1.00 0.00 C ATOM 589 C PHE A 39 9.844 8.037 2.536 1.00 0.00 C ATOM 590 O PHE A 39 10.395 8.173 3.628 1.00 0.00 O ATOM 591 CB PHE A 39 7.928 9.492 1.872 1.00 0.00 C ATOM 592 CG PHE A 39 7.465 9.521 3.300 1.00 0.00 C ATOM 593 CD1 PHE A 39 7.702 10.630 4.099 1.00 0.00 C ATOM 594 CD2 PHE A 39 6.792 8.440 3.849 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.277 10.657 5.415 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.365 8.465 5.162 1.00 0.00 C ATOM 597 CZ PHE A 39 6.608 9.575 5.945 1.00 0.00 C ATOM 0 H PHE A 39 9.005 9.252 -0.338 1.00 0.00 H new ATOM 0 HA PHE A 39 9.975 10.121 2.083 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.669 10.438 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.387 8.709 1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.224 11.482 3.689 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.599 7.568 3.242 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.469 11.526 6.027 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.841 7.616 5.576 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.274 9.596 6.972 1.00 0.00 H new ATOM 607 N TYR A 40 9.575 6.850 2.003 1.00 0.00 N ATOM 608 CA TYR A 40 9.745 5.614 2.759 1.00 0.00 C ATOM 609 C TYR A 40 11.196 5.152 2.740 1.00 0.00 C ATOM 610 O TYR A 40 11.604 4.323 3.553 1.00 0.00 O ATOM 611 CB TYR A 40 8.831 4.519 2.207 1.00 0.00 C ATOM 612 CG TYR A 40 7.376 4.922 2.123 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.538 4.723 3.211 1.00 0.00 C ATOM 614 CD2 TYR A 40 6.879 5.491 0.960 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.208 5.092 3.135 1.00 0.00 C ATOM 616 CE2 TYR A 40 5.549 5.860 0.883 1.00 0.00 C ATOM 617 CZ TYR A 40 4.715 5.657 1.977 1.00 0.00 C ATOM 618 OH TYR A 40 3.391 6.024 1.902 1.00 0.00 O ATOM 0 H TYR A 40 9.238 6.717 1.049 1.00 0.00 H new ATOM 0 HA TYR A 40 9.468 5.814 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.178 4.236 1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.917 3.635 2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.925 4.280 4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.532 5.646 0.114 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.555 4.938 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.160 6.303 -0.022 1.00 0.00 H new ATOM 0 HH TYR A 40 2.865 5.280 1.541 1.00 0.00 H new ATOM 628 N ASN A 41 11.972 5.693 1.807 1.00 0.00 N ATOM 629 CA ASN A 41 13.350 5.260 1.611 1.00 0.00 C ATOM 630 C ASN A 41 14.234 5.694 2.773 1.00 0.00 C ATOM 631 O ASN A 41 14.612 6.861 2.877 1.00 0.00 O ATOM 632 CB ASN A 41 13.896 5.792 0.298 1.00 0.00 C ATOM 633 CG ASN A 41 15.261 5.248 -0.023 1.00 0.00 C ATOM 634 OD1 ASN A 41 16.032 4.902 0.879 1.00 0.00 O ATOM 635 ND2 ASN A 41 15.573 5.165 -1.291 1.00 0.00 N ATOM 0 H ASN A 41 11.669 6.433 1.174 1.00 0.00 H new ATOM 0 HA ASN A 41 13.356 4.171 1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.208 5.536 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.944 6.880 0.343 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.485 4.803 -1.569 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.904 5.463 -2.001 1.00 0.00 H new ATOM 642 N GLY A 42 14.561 4.748 3.647 1.00 0.00 N ATOM 643 CA GLY A 42 15.407 5.029 4.801 1.00 0.00 C ATOM 644 C GLY A 42 14.610 4.963 6.098 1.00 0.00 C ATOM 645 O GLY A 42 15.181 4.910 7.187 1.00 0.00 O ATOM 0 H GLY A 42 14.252 3.778 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.226 4.311 4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.854 6.018 4.696 1.00 0.00 H new ATOM 649 N LEU A 43 13.286 4.966 5.973 1.00 0.00 N ATOM 650 CA LEU A 43 12.408 4.858 7.132 1.00 0.00 C ATOM 651 C LEU A 43 12.245 3.407 7.565 1.00 0.00 C ATOM 652 O LEU A 43 12.560 2.485 6.813 1.00 0.00 O ATOM 653 CB LEU A 43 11.034 5.460 6.813 1.00 0.00 C ATOM 654 CG LEU A 43 11.018 6.968 6.529 1.00 0.00 C ATOM 655 CD1 LEU A 43 9.580 7.442 6.375 1.00 0.00 C ATOM 656 CD2 LEU A 43 11.719 7.706 7.660 1.00 0.00 C ATOM 0 H LEU A 43 12.798 5.042 5.080 1.00 0.00 H new ATOM 0 HA LEU A 43 12.865 5.412 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.623 4.941 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.367 5.260 7.651 1.00 0.00 H new ATOM 0 HG LEU A 43 11.550 7.177 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.570 8.513 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.109 6.912 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.030 7.241 7.294 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.707 8.777 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.202 7.508 8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.751 7.362 7.735 1.00 0.00 H new ATOM 668 N THR A 44 11.750 3.211 8.783 1.00 0.00 N ATOM 669 CA THR A 44 11.583 1.872 9.335 1.00 0.00 C ATOM 670 C THR A 44 10.127 1.601 9.693 1.00 0.00 C ATOM 671 O THR A 44 9.307 2.518 9.736 1.00 0.00 O ATOM 672 CB THR A 44 12.467 1.670 10.579 1.00 0.00 C ATOM 673 OG1 THR A 44 12.032 2.549 11.624 1.00 0.00 O ATOM 674 CG2 THR A 44 13.924 1.960 10.251 1.00 0.00 C ATOM 0 H THR A 44 11.457 3.963 9.407 1.00 0.00 H new ATOM 0 HA THR A 44 11.892 1.166 8.565 1.00 0.00 H new ATOM 0 HB THR A 44 12.378 0.634 10.905 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.594 2.419 12.416 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.534 1.812 11.142 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.261 1.285 9.464 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.022 2.991 9.911 1.00 0.00 H new ATOM 682 N PHE A 45 9.810 0.336 9.947 1.00 0.00 N ATOM 683 CA PHE A 45 8.498 -0.037 10.459 1.00 0.00 C ATOM 684 C PHE A 45 8.409 0.184 11.964 1.00 0.00 C ATOM 685 O PHE A 45 9.219 -0.341 12.727 1.00 0.00 O ATOM 686 CB PHE A 45 8.194 -1.502 10.136 1.00 0.00 C ATOM 687 CG PHE A 45 7.629 -1.714 8.761 1.00 0.00 C ATOM 688 CD1 PHE A 45 8.467 -1.854 7.665 1.00 0.00 C ATOM 689 CD2 PHE A 45 6.258 -1.774 8.560 1.00 0.00 C ATOM 690 CE1 PHE A 45 7.949 -2.050 6.399 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.737 -1.971 7.296 1.00 0.00 C ATOM 692 CZ PHE A 45 6.584 -2.108 6.214 1.00 0.00 C ATOM 0 H PHE A 45 10.446 -0.449 9.806 1.00 0.00 H new ATOM 0 HA PHE A 45 7.760 0.600 9.972 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.110 -2.084 10.236 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.489 -1.888 10.872 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.537 -1.809 7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.590 -1.665 9.402 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.613 -2.158 5.554 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.667 -2.018 7.154 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.178 -2.260 5.225 1.00 0.00 H new ATOM 702 N HIS A 46 7.421 0.967 12.384 1.00 0.00 N ATOM 703 CA HIS A 46 7.249 1.293 13.796 1.00 0.00 C ATOM 704 C HIS A 46 7.155 0.032 14.645 1.00 0.00 C ATOM 705 O HIS A 46 7.911 -0.143 15.600 1.00 0.00 O ATOM 706 CB HIS A 46 5.998 2.151 14.004 1.00 0.00 C ATOM 707 CG HIS A 46 5.760 2.530 15.433 1.00 0.00 C ATOM 708 ND1 HIS A 46 4.560 3.049 15.875 1.00 0.00 N ATOM 709 CD2 HIS A 46 6.566 2.466 16.519 1.00 0.00 C ATOM 710 CE1 HIS A 46 4.640 3.287 17.173 1.00 0.00 C ATOM 711 NE2 HIS A 46 5.846 2.942 17.587 1.00 0.00 N ATOM 0 H HIS A 46 6.727 1.388 11.767 1.00 0.00 H new ATOM 0 HA HIS A 46 8.126 1.859 14.112 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.087 3.058 13.406 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.129 1.608 13.632 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.585 2.108 16.541 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.853 3.694 17.790 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.187 3.017 18.545 1.00 0.00 H new ATOM 718 N ARG A 47 6.221 -0.845 14.291 1.00 0.00 N ATOM 719 CA ARG A 47 5.990 -2.067 15.052 1.00 0.00 C ATOM 720 C ARG A 47 5.256 -3.106 14.215 1.00 0.00 C ATOM 721 O ARG A 47 4.228 -2.812 13.604 1.00 0.00 O ATOM 722 CB ARG A 47 5.186 -1.771 16.308 1.00 0.00 C ATOM 723 CG ARG A 47 5.091 -2.925 17.294 1.00 0.00 C ATOM 724 CD ARG A 47 4.343 -2.541 18.519 1.00 0.00 C ATOM 725 NE ARG A 47 4.098 -3.684 19.385 1.00 0.00 N ATOM 726 CZ ARG A 47 3.660 -3.601 20.656 1.00 0.00 C ATOM 727 NH1 ARG A 47 3.423 -2.424 21.194 1.00 0.00 N ATOM 728 NH2 ARG A 47 3.467 -4.700 21.362 1.00 0.00 N ATOM 0 H ARG A 47 5.611 -0.732 13.481 1.00 0.00 H new ATOM 0 HA ARG A 47 6.964 -2.468 15.333 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.633 -0.915 16.814 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.178 -1.478 16.016 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.598 -3.772 16.817 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.094 -3.253 17.568 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.906 -1.785 19.066 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.392 -2.089 18.237 1.00 0.00 H new ATOM 0 HE ARG A 47 4.270 -4.614 19.003 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.571 -1.575 20.649 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.091 -2.361 22.156 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.650 -5.613 20.945 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.135 -4.636 22.324 1.00 0.00 H new ATOM 742 N VAL A 48 5.789 -4.323 14.191 1.00 0.00 N ATOM 743 CA VAL A 48 5.186 -5.408 13.427 1.00 0.00 C ATOM 744 C VAL A 48 4.649 -6.497 14.347 1.00 0.00 C ATOM 745 O VAL A 48 5.411 -7.163 15.049 1.00 0.00 O ATOM 746 CB VAL A 48 6.218 -6.020 12.461 1.00 0.00 C ATOM 747 CG1 VAL A 48 5.590 -7.146 11.653 1.00 0.00 C ATOM 748 CG2 VAL A 48 6.771 -4.940 11.543 1.00 0.00 C ATOM 0 H VAL A 48 6.638 -4.582 14.693 1.00 0.00 H new ATOM 0 HA VAL A 48 4.355 -4.990 12.858 1.00 0.00 H new ATOM 0 HB VAL A 48 7.040 -6.440 13.041 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.334 -7.567 10.976 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.233 -7.924 12.329 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.752 -6.756 11.075 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.500 -5.379 10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.957 -4.500 10.967 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.253 -4.166 12.141 1.00 0.00 H new ATOM 758 N ILE A 49 3.332 -6.675 14.339 1.00 0.00 N ATOM 759 CA ILE A 49 2.695 -7.719 15.134 1.00 0.00 C ATOM 760 C ILE A 49 2.103 -8.804 14.244 1.00 0.00 C ATOM 761 O ILE A 49 1.057 -8.611 13.624 1.00 0.00 O ATOM 762 CB ILE A 49 1.590 -7.128 16.030 1.00 0.00 C ATOM 763 CG1 ILE A 49 2.165 -6.042 16.941 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.932 -8.225 16.853 1.00 0.00 C ATOM 765 CD1 ILE A 49 1.115 -5.245 17.680 1.00 0.00 C ATOM 0 H ILE A 49 2.684 -6.109 13.790 1.00 0.00 H new ATOM 0 HA ILE A 49 3.465 -8.164 15.764 1.00 0.00 H new ATOM 0 HB ILE A 49 0.831 -6.674 15.392 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.833 -6.506 17.667 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.769 -5.361 16.342 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.154 -7.792 17.481 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.490 -8.965 16.186 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.680 -8.706 17.483 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.600 -4.495 18.305 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.461 -4.751 16.962 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.525 -5.914 18.307 1.00 0.00 H new ATOM 777 N PRO A 50 2.778 -9.947 14.186 1.00 0.00 N ATOM 778 CA PRO A 50 2.327 -11.062 13.361 1.00 0.00 C ATOM 779 C PRO A 50 0.905 -11.474 13.722 1.00 0.00 C ATOM 780 O PRO A 50 0.582 -11.664 14.894 1.00 0.00 O ATOM 781 CB PRO A 50 3.336 -12.165 13.692 1.00 0.00 C ATOM 782 CG PRO A 50 4.573 -11.427 14.073 1.00 0.00 C ATOM 783 CD PRO A 50 4.074 -10.229 14.835 1.00 0.00 C ATOM 0 HA PRO A 50 2.290 -10.826 12.298 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.982 -12.797 14.507 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.509 -12.817 12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.230 -12.043 14.687 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.145 -11.129 13.194 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.956 -10.445 15.897 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.759 -9.385 14.755 1.00 0.00 H new ATOM 791 N GLY A 51 0.058 -11.609 12.706 1.00 0.00 N ATOM 792 CA GLY A 51 -1.316 -12.054 12.908 1.00 0.00 C ATOM 793 C GLY A 51 -2.195 -10.914 13.406 1.00 0.00 C ATOM 794 O GLY A 51 -3.298 -11.140 13.903 1.00 0.00 O ATOM 0 H GLY A 51 0.300 -11.416 11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.716 -12.444 11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.334 -12.872 13.628 1.00 0.00 H new ATOM 798 N PHE A 52 -1.700 -9.688 13.270 1.00 0.00 N ATOM 799 CA PHE A 52 -2.467 -8.506 13.644 1.00 0.00 C ATOM 800 C PHE A 52 -2.246 -7.370 12.654 1.00 0.00 C ATOM 801 O PHE A 52 -2.936 -7.275 11.639 1.00 0.00 O ATOM 802 CB PHE A 52 -2.085 -8.045 15.052 1.00 0.00 C ATOM 803 CG PHE A 52 -2.885 -6.872 15.543 1.00 0.00 C ATOM 804 CD1 PHE A 52 -4.264 -6.957 15.665 1.00 0.00 C ATOM 805 CD2 PHE A 52 -2.260 -5.681 15.882 1.00 0.00 C ATOM 806 CE1 PHE A 52 -5.001 -5.878 16.118 1.00 0.00 C ATOM 807 CE2 PHE A 52 -2.995 -4.602 16.335 1.00 0.00 C ATOM 808 CZ PHE A 52 -4.366 -4.700 16.453 1.00 0.00 C ATOM 0 H PHE A 52 -0.770 -9.487 12.903 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.523 -8.777 13.628 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.215 -8.877 15.744 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.027 -7.782 15.064 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.768 -7.876 15.403 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.187 -5.596 15.791 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.074 -5.958 16.210 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.496 -3.681 16.597 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.941 -3.857 16.807 1.00 0.00 H new ATOM 818 N VAL A 53 -1.280 -6.509 12.956 1.00 0.00 N ATOM 819 CA VAL A 53 -1.027 -5.326 12.143 1.00 0.00 C ATOM 820 C VAL A 53 0.463 -5.015 12.071 1.00 0.00 C ATOM 821 O VAL A 53 1.175 -5.110 13.071 1.00 0.00 O ATOM 822 CB VAL A 53 -1.774 -4.110 12.721 1.00 0.00 C ATOM 823 CG1 VAL A 53 -1.339 -2.832 12.018 1.00 0.00 C ATOM 824 CG2 VAL A 53 -3.276 -4.314 12.588 1.00 0.00 C ATOM 0 H VAL A 53 -0.659 -6.609 13.759 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.390 -5.533 11.136 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.527 -4.014 13.778 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.878 -1.983 12.440 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.268 -2.687 12.157 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.560 -2.909 10.953 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.798 -3.450 12.999 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.536 -4.428 11.536 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.571 -5.210 13.134 1.00 0.00 H new ATOM 834 N SER A 54 0.928 -4.643 10.883 1.00 0.00 N ATOM 835 CA SER A 54 2.278 -4.117 10.719 1.00 0.00 C ATOM 836 C SER A 54 2.255 -2.627 10.408 1.00 0.00 C ATOM 837 O SER A 54 1.845 -2.216 9.322 1.00 0.00 O ATOM 838 CB SER A 54 2.998 -4.864 9.614 1.00 0.00 C ATOM 839 OG SER A 54 4.256 -4.299 9.363 1.00 0.00 O ATOM 0 H SER A 54 0.389 -4.696 10.019 1.00 0.00 H new ATOM 0 HA SER A 54 2.811 -4.260 11.659 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.115 -5.911 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.398 -4.842 8.704 1.00 0.00 H new ATOM 0 HG SER A 54 4.184 -3.653 8.629 1.00 0.00 H new ATOM 845 N GLN A 55 2.699 -1.820 11.366 1.00 0.00 N ATOM 846 CA GLN A 55 2.572 -0.371 11.267 1.00 0.00 C ATOM 847 C GLN A 55 3.912 0.279 10.945 1.00 0.00 C ATOM 848 O GLN A 55 4.919 0.002 11.597 1.00 0.00 O ATOM 849 CB GLN A 55 2.010 0.209 12.568 1.00 0.00 C ATOM 850 CG GLN A 55 1.875 1.721 12.569 1.00 0.00 C ATOM 851 CD GLN A 55 1.148 2.237 13.796 1.00 0.00 C ATOM 852 OE1 GLN A 55 -0.082 2.173 13.880 1.00 0.00 O ATOM 853 NE2 GLN A 55 1.905 2.752 14.758 1.00 0.00 N ATOM 0 H GLN A 55 3.150 -2.146 12.221 1.00 0.00 H new ATOM 0 HA GLN A 55 1.881 -0.154 10.453 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.031 -0.232 12.756 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.657 -0.087 13.394 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.866 2.171 12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.339 2.036 11.674 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.918 2.785 14.647 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.473 3.114 15.608 1.00 0.00 H new ATOM 862 N GLY A 56 3.918 1.144 9.937 1.00 0.00 N ATOM 863 CA GLY A 56 5.141 1.807 9.504 1.00 0.00 C ATOM 864 C GLY A 56 5.482 2.981 10.412 1.00 0.00 C ATOM 865 O GLY A 56 4.624 3.493 11.130 1.00 0.00 O ATOM 0 H GLY A 56 3.088 1.402 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.964 1.093 9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.024 2.159 8.479 1.00 0.00 H new ATOM 869 N GLY A 57 6.742 3.405 10.376 1.00 0.00 N ATOM 870 CA GLY A 57 7.221 4.458 11.262 1.00 0.00 C ATOM 871 C GLY A 57 7.185 5.817 10.575 1.00 0.00 C ATOM 872 O GLY A 57 6.329 6.072 9.728 1.00 0.00 O ATOM 0 H GLY A 57 7.449 3.034 9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.607 4.487 12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.240 4.235 11.578 1.00 0.00 H new ATOM 876 N CYS A 58 8.120 6.686 10.944 1.00 0.00 N ATOM 877 CA CYS A 58 8.069 8.085 10.536 1.00 0.00 C ATOM 878 C CYS A 58 9.460 8.707 10.528 1.00 0.00 C ATOM 879 O CYS A 58 10.401 8.153 11.097 1.00 0.00 O ATOM 880 CB CYS A 58 7.164 8.887 11.470 1.00 0.00 C ATOM 881 SG CYS A 58 7.745 8.956 13.182 1.00 0.00 S ATOM 0 H CYS A 58 8.923 6.446 11.525 1.00 0.00 H new ATOM 0 HA CYS A 58 7.663 8.115 9.525 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.074 9.903 11.087 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.165 8.451 11.454 1.00 0.00 H new ATOM 0 HG CYS A 58 7.180 9.955 13.792 1.00 0.00 H new ATOM 887 N PRO A 59 9.583 9.860 9.879 1.00 0.00 N ATOM 888 CA PRO A 59 10.858 10.566 9.807 1.00 0.00 C ATOM 889 C PRO A 59 11.425 10.820 11.198 1.00 0.00 C ATOM 890 O PRO A 59 12.638 10.781 11.400 1.00 0.00 O ATOM 891 CB PRO A 59 10.486 11.874 9.101 1.00 0.00 C ATOM 892 CG PRO A 59 9.316 11.511 8.252 1.00 0.00 C ATOM 893 CD PRO A 59 8.526 10.547 9.095 1.00 0.00 C ATOM 0 HA PRO A 59 11.634 10.007 9.284 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.231 12.655 9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.313 12.251 8.499 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.725 12.390 7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.632 11.053 7.315 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.814 11.062 9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.955 9.848 8.484 1.00 0.00 H new ATOM 901 N ARG A 60 10.540 11.081 12.154 1.00 0.00 N ATOM 902 CA ARG A 60 10.951 11.341 13.528 1.00 0.00 C ATOM 903 C ARG A 60 11.637 10.125 14.138 1.00 0.00 C ATOM 904 O ARG A 60 12.582 10.258 14.916 1.00 0.00 O ATOM 905 CB ARG A 60 9.753 11.726 14.383 1.00 0.00 C ATOM 906 CG ARG A 60 9.208 13.123 14.129 1.00 0.00 C ATOM 907 CD ARG A 60 8.140 13.479 15.097 1.00 0.00 C ATOM 908 NE ARG A 60 7.657 14.837 14.897 1.00 0.00 N ATOM 909 CZ ARG A 60 6.910 15.521 15.784 1.00 0.00 C ATOM 910 NH1 ARG A 60 6.568 14.964 16.925 1.00 0.00 N ATOM 911 NH2 ARG A 60 6.521 16.754 15.508 1.00 0.00 N ATOM 0 H ARG A 60 9.532 11.118 12.002 1.00 0.00 H new ATOM 0 HA ARG A 60 11.660 12.169 13.505 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.955 11.004 14.211 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.034 11.647 15.433 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.019 13.848 14.198 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.814 13.181 13.114 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.310 12.780 14.995 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.521 13.375 16.113 1.00 0.00 H new ATOM 0 HE ARG A 60 7.902 15.303 14.023 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.869 14.013 17.139 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.002 15.483 17.596 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.787 17.187 14.623 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.955 17.273 16.180 1.00 0.00 H new ATOM 925 N GLY A 61 11.155 8.940 13.781 1.00 0.00 N ATOM 926 CA GLY A 61 11.618 7.705 14.402 1.00 0.00 C ATOM 927 C GLY A 61 10.952 7.486 15.755 1.00 0.00 C ATOM 928 O GLY A 61 11.364 6.620 16.527 1.00 0.00 O ATOM 0 H GLY A 61 10.442 8.809 13.063 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.402 6.862 13.746 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.700 7.741 14.528 1.00 0.00 H new ATOM 932 N ASN A 62 9.920 8.273 16.035 1.00 0.00 N ATOM 933 CA ASN A 62 9.212 8.187 17.306 1.00 0.00 C ATOM 934 C ASN A 62 7.904 7.419 17.157 1.00 0.00 C ATOM 935 O ASN A 62 7.196 7.184 18.136 1.00 0.00 O ATOM 936 CB ASN A 62 8.957 9.571 17.872 1.00 0.00 C ATOM 937 CG ASN A 62 10.222 10.259 18.308 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.192 9.605 18.707 1.00 0.00 O ATOM 939 ND2 ASN A 62 10.229 11.566 18.240 1.00 0.00 N ATOM 0 H ASN A 62 9.554 8.980 15.397 1.00 0.00 H new ATOM 0 HA ASN A 62 9.845 7.640 18.005 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.457 10.181 17.120 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.279 9.493 18.722 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.059 12.087 18.523 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.404 12.064 17.904 1.00 0.00 H new ATOM 946 N GLY A 63 7.589 7.031 15.927 1.00 0.00 N ATOM 947 CA GLY A 63 6.373 6.278 15.648 1.00 0.00 C ATOM 948 C GLY A 63 5.196 7.208 15.386 1.00 0.00 C ATOM 949 O GLY A 63 4.061 6.759 15.219 1.00 0.00 O ATOM 0 H GLY A 63 8.161 7.226 15.105 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.531 5.635 14.782 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.144 5.627 16.491 1.00 0.00 H new ATOM 953 N THR A 64 5.472 8.507 15.352 1.00 0.00 N ATOM 954 CA THR A 64 4.437 9.505 15.106 1.00 0.00 C ATOM 955 C THR A 64 4.710 10.275 13.820 1.00 0.00 C ATOM 956 O THR A 64 5.679 11.030 13.731 1.00 0.00 O ATOM 957 CB THR A 64 4.324 10.488 16.285 1.00 0.00 C ATOM 958 OG1 THR A 64 3.984 9.772 17.478 1.00 0.00 O ATOM 959 CG2 THR A 64 3.254 11.534 16.005 1.00 0.00 C ATOM 0 H THR A 64 6.405 8.894 15.492 1.00 0.00 H new ATOM 0 HA THR A 64 3.492 8.972 15.001 1.00 0.00 H new ATOM 0 HB THR A 64 5.284 10.988 16.415 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.914 10.400 18.228 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.187 12.221 16.849 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.515 12.090 15.104 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.292 11.041 15.861 1.00 0.00 H new ATOM 967 N GLY A 65 3.850 10.082 12.826 1.00 0.00 N ATOM 968 CA GLY A 65 4.032 10.710 11.523 1.00 0.00 C ATOM 969 C GLY A 65 4.067 12.228 11.643 1.00 0.00 C ATOM 970 O GLY A 65 3.376 12.810 12.477 1.00 0.00 O ATOM 0 H GLY A 65 3.019 9.495 12.898 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.960 10.357 11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.221 10.414 10.857 1.00 0.00 H new ATOM 974 N ASP A 66 4.878 12.864 10.803 1.00 0.00 N ATOM 975 CA ASP A 66 5.016 14.314 10.823 1.00 0.00 C ATOM 976 C ASP A 66 5.425 14.848 9.456 1.00 0.00 C ATOM 977 O ASP A 66 6.309 15.698 9.350 1.00 0.00 O ATOM 978 CB ASP A 66 6.044 14.742 11.873 1.00 0.00 C ATOM 979 CG ASP A 66 5.997 16.232 12.177 1.00 0.00 C ATOM 980 OD1 ASP A 66 5.024 16.859 11.831 1.00 0.00 O ATOM 981 OD2 ASP A 66 6.935 16.731 12.753 1.00 0.00 O ATOM 0 H ASP A 66 5.450 12.396 10.100 1.00 0.00 H new ATOM 0 HA ASP A 66 4.044 14.734 11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.870 14.183 12.793 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.043 14.479 11.524 1.00 0.00 H new ATOM 986 N ALA A 67 4.778 14.343 8.412 1.00 0.00 N ATOM 987 CA ALA A 67 5.038 14.805 7.053 1.00 0.00 C ATOM 988 C ALA A 67 4.075 15.917 6.656 1.00 0.00 C ATOM 989 O ALA A 67 4.331 16.666 5.713 1.00 0.00 O ATOM 990 CB ALA A 67 4.940 13.646 6.071 1.00 0.00 C ATOM 0 H ALA A 67 4.069 13.613 8.480 1.00 0.00 H new ATOM 0 HA ALA A 67 6.050 15.208 7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.137 14.007 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.674 12.884 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.939 13.216 6.114 1.00 0.00 H new ATOM 996 N GLY A 68 2.967 16.021 7.382 1.00 0.00 N ATOM 997 CA GLY A 68 1.968 17.047 7.112 1.00 0.00 C ATOM 998 C GLY A 68 0.813 16.489 6.290 1.00 0.00 C ATOM 999 O GLY A 68 -0.153 17.196 6.000 1.00 0.00 O ATOM 0 H GLY A 68 2.738 15.406 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.589 17.446 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.430 17.877 6.578 1.00 0.00 H new ATOM 1003 N TYR A 69 0.918 15.219 5.918 1.00 0.00 N ATOM 1004 CA TYR A 69 -0.106 14.571 5.106 1.00 0.00 C ATOM 1005 C TYR A 69 -1.279 14.111 5.963 1.00 0.00 C ATOM 1006 O TYR A 69 -1.494 12.913 6.148 1.00 0.00 O ATOM 1007 CB TYR A 69 0.488 13.386 4.341 1.00 0.00 C ATOM 1008 CG TYR A 69 1.353 13.790 3.168 1.00 0.00 C ATOM 1009 CD1 TYR A 69 2.570 14.419 3.388 1.00 0.00 C ATOM 1010 CD2 TYR A 69 0.931 13.531 1.873 1.00 0.00 C ATOM 1011 CE1 TYR A 69 3.361 14.787 2.317 1.00 0.00 C ATOM 1012 CE2 TYR A 69 1.722 13.900 0.802 1.00 0.00 C ATOM 1013 CZ TYR A 69 2.933 14.525 1.020 1.00 0.00 C ATOM 1014 OH TYR A 69 3.720 14.893 -0.046 1.00 0.00 O ATOM 0 H TYR A 69 1.703 14.616 6.166 1.00 0.00 H new ATOM 0 HA TYR A 69 -0.477 15.303 4.389 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.082 12.783 5.028 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.324 12.754 3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.899 14.621 4.397 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.016 13.041 1.701 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.309 15.277 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.392 13.699 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 69 3.278 14.638 -0.883 1.00 0.00 H new ATOM 1024 N THR A 70 -2.035 15.071 6.485 1.00 0.00 N ATOM 1025 CA THR A 70 -3.223 14.766 7.275 1.00 0.00 C ATOM 1026 C THR A 70 -4.494 14.996 6.469 1.00 0.00 C ATOM 1027 O THR A 70 -4.741 16.098 5.980 1.00 0.00 O ATOM 1028 CB THR A 70 -3.266 15.612 8.560 1.00 0.00 C ATOM 1029 OG1 THR A 70 -2.189 15.227 9.426 1.00 0.00 O ATOM 1030 CG2 THR A 70 -4.589 15.417 9.284 1.00 0.00 C ATOM 0 H THR A 70 -1.846 16.067 6.375 1.00 0.00 H new ATOM 0 HA THR A 70 -3.167 13.712 7.548 1.00 0.00 H new ATOM 0 HB THR A 70 -3.165 16.663 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.264 14.273 9.637 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.601 16.023 10.190 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.408 15.722 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.707 14.366 9.549 1.00 0.00 H new ATOM 1038 N ILE A 71 -5.299 13.947 6.333 1.00 0.00 N ATOM 1039 CA ILE A 71 -6.564 14.041 5.614 1.00 0.00 C ATOM 1040 C ILE A 71 -7.709 13.462 6.434 1.00 0.00 C ATOM 1041 O ILE A 71 -7.489 12.672 7.353 1.00 0.00 O ATOM 1042 CB ILE A 71 -6.482 13.312 4.260 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -6.151 11.832 4.470 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -5.445 13.971 3.363 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -6.260 10.997 3.214 1.00 0.00 C ATOM 0 H ILE A 71 -5.097 13.022 6.712 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.759 15.099 5.438 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.453 13.381 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.138 11.748 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.822 11.423 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.400 13.443 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.722 15.011 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.469 13.932 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.011 9.961 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.279 11.049 2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.569 11.379 2.462 1.00 0.00 H new ATOM 1057 N PRO A 72 -8.932 13.858 6.098 1.00 0.00 N ATOM 1058 CA PRO A 72 -10.121 13.284 6.716 1.00 0.00 C ATOM 1059 C PRO A 72 -10.358 11.858 6.234 1.00 0.00 C ATOM 1060 O PRO A 72 -9.796 11.431 5.226 1.00 0.00 O ATOM 1061 CB PRO A 72 -11.238 14.227 6.258 1.00 0.00 C ATOM 1062 CG PRO A 72 -10.783 14.711 4.923 1.00 0.00 C ATOM 1063 CD PRO A 72 -9.294 14.879 5.072 1.00 0.00 C ATOM 0 HA PRO A 72 -10.049 13.207 7.801 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.194 13.708 6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.373 15.053 6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.025 13.995 4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.264 15.652 4.657 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.774 14.704 4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.034 15.886 5.398 1.00 0.00 H new ATOM 1071 N CYS A 73 -11.193 11.125 6.963 1.00 0.00 N ATOM 1072 CA CYS A 73 -11.485 9.736 6.627 1.00 0.00 C ATOM 1073 C CYS A 73 -12.390 9.642 5.406 1.00 0.00 C ATOM 1074 O CYS A 73 -13.359 10.392 5.280 1.00 0.00 O ATOM 1075 CB CYS A 73 -12.153 9.027 7.805 1.00 0.00 C ATOM 1076 SG CYS A 73 -11.093 8.859 9.262 1.00 0.00 S ATOM 0 H CYS A 73 -11.680 11.470 7.791 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.537 9.249 6.400 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -13.052 9.577 8.084 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -12.473 8.035 7.485 1.00 0.00 H new ATOM 0 HG CYS A 73 -11.109 7.625 9.670 1.00 0.00 H new ATOM 1082 N GLU A 74 -12.068 8.719 4.507 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.848 8.531 3.289 1.00 0.00 C ATOM 1084 C GLU A 74 -13.969 7.523 3.502 1.00 0.00 C ATOM 1085 O GLU A 74 -14.805 7.313 2.623 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.945 8.069 2.143 1.00 0.00 C ATOM 1087 CG GLU A 74 -10.920 9.101 1.695 1.00 0.00 C ATOM 1088 CD GLU A 74 -10.258 8.743 0.393 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -10.950 8.621 -0.589 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -9.060 8.588 0.382 1.00 0.00 O ATOM 0 H GLU A 74 -11.271 8.089 4.599 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.295 9.491 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.421 7.164 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.569 7.801 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.408 10.070 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.158 9.207 2.467 1.00 0.00 H new ATOM 1097 N THR A 75 -13.982 6.900 4.676 1.00 0.00 N ATOM 1098 CA THR A 75 -14.990 5.897 5.000 1.00 0.00 C ATOM 1099 C THR A 75 -16.366 6.530 5.159 1.00 0.00 C ATOM 1100 O THR A 75 -17.382 5.836 5.163 1.00 0.00 O ATOM 1101 CB THR A 75 -14.620 5.135 6.287 1.00 0.00 C ATOM 1102 OG1 THR A 75 -14.570 6.050 7.389 1.00 0.00 O ATOM 1103 CG2 THR A 75 -13.267 4.457 6.134 1.00 0.00 C ATOM 0 H THR A 75 -13.305 7.072 5.419 1.00 0.00 H new ATOM 0 HA THR A 75 -15.022 5.192 4.169 1.00 0.00 H new ATOM 0 HB THR A 75 -15.378 4.374 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.675 5.556 8.229 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.021 3.924 7.052 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.305 3.752 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 75 -12.503 5.209 5.936 1.00 0.00 H new ATOM 1111 N ASP A 76 -16.392 7.853 5.289 1.00 0.00 N ATOM 1112 CA ASP A 76 -17.647 8.590 5.369 1.00 0.00 C ATOM 1113 C ASP A 76 -18.453 8.446 4.083 1.00 0.00 C ATOM 1114 O ASP A 76 -19.682 8.388 4.113 1.00 0.00 O ATOM 1115 CB ASP A 76 -17.383 10.071 5.650 1.00 0.00 C ATOM 1116 CG ASP A 76 -16.938 10.331 7.082 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -17.065 9.445 7.894 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -16.476 11.414 7.351 1.00 0.00 O ATOM 0 H ASP A 76 -15.557 8.436 5.341 1.00 0.00 H new ATOM 0 HA ASP A 76 -18.227 8.168 6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.617 10.435 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -18.289 10.642 5.447 1.00 0.00 H new ATOM 1123 N ASN A 77 -17.753 8.390 2.956 1.00 0.00 N ATOM 1124 CA ASN A 77 -18.403 8.271 1.656 1.00 0.00 C ATOM 1125 C ASN A 77 -18.251 6.864 1.091 1.00 0.00 C ATOM 1126 O ASN A 77 -19.086 6.405 0.311 1.00 0.00 O ATOM 1127 CB ASN A 77 -17.849 9.298 0.686 1.00 0.00 C ATOM 1128 CG ASN A 77 -18.193 10.708 1.078 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -19.360 11.114 1.020 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -17.201 11.462 1.477 1.00 0.00 N ATOM 0 H ASN A 77 -16.734 8.425 2.916 1.00 0.00 H new ATOM 0 HA ASN A 77 -19.467 8.464 1.795 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.765 9.194 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -18.239 9.097 -0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -17.375 12.428 1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.254 11.084 1.509 1.00 0.00 H new ATOM 1137 N ASN A 78 -17.181 6.184 1.490 1.00 0.00 N ATOM 1138 CA ASN A 78 -16.927 4.823 1.035 1.00 0.00 C ATOM 1139 C ASN A 78 -16.309 3.978 2.143 1.00 0.00 C ATOM 1140 O ASN A 78 -15.090 3.819 2.207 1.00 0.00 O ATOM 1141 CB ASN A 78 -16.035 4.827 -0.193 1.00 0.00 C ATOM 1142 CG ASN A 78 -15.808 3.448 -0.747 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -16.600 2.531 -0.507 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -14.738 3.284 -1.484 1.00 0.00 N ATOM 0 H ASN A 78 -16.476 6.554 2.128 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.884 4.376 0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -16.485 5.454 -0.963 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.074 5.275 0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.531 2.370 -1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.112 4.070 -1.656 1.00 0.00 H new ATOM 1151 N PRO A 79 -17.157 3.440 3.013 1.00 0.00 N ATOM 1152 CA PRO A 79 -16.695 2.614 4.122 1.00 0.00 C ATOM 1153 C PRO A 79 -15.758 1.515 3.638 1.00 0.00 C ATOM 1154 O PRO A 79 -16.066 0.798 2.685 1.00 0.00 O ATOM 1155 CB PRO A 79 -17.997 2.039 4.688 1.00 0.00 C ATOM 1156 CG PRO A 79 -19.015 3.089 4.403 1.00 0.00 C ATOM 1157 CD PRO A 79 -18.630 3.625 3.051 1.00 0.00 C ATOM 0 HA PRO A 79 -16.119 3.168 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -18.256 1.094 4.211 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.915 1.844 5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -20.023 2.674 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -19.000 3.873 5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.124 3.079 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.906 4.674 2.941 1.00 0.00 H new ATOM 1165 N HIS A 80 -14.613 1.387 4.299 1.00 0.00 N ATOM 1166 CA HIS A 80 -13.601 0.416 3.899 1.00 0.00 C ATOM 1167 C HIS A 80 -13.483 -0.709 4.920 1.00 0.00 C ATOM 1168 O HIS A 80 -13.573 -0.477 6.126 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.240 1.094 3.719 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.227 2.143 2.650 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -12.213 3.493 2.932 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -12.226 2.040 1.300 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -12.204 4.175 1.799 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -12.212 3.317 0.796 1.00 0.00 N ATOM 0 H HIS A 80 -14.362 1.944 5.116 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.915 -0.011 2.946 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.942 1.547 4.664 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.495 0.335 3.480 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -12.235 1.125 0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.192 5.251 1.710 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.208 3.563 -0.194 1.00 0.00 H new ATOM 1181 N ARG A 81 -13.282 -1.927 4.430 1.00 0.00 N ATOM 1182 CA ARG A 81 -13.151 -3.091 5.298 1.00 0.00 C ATOM 1183 C ARG A 81 -11.695 -3.513 5.439 1.00 0.00 C ATOM 1184 O ARG A 81 -10.915 -3.409 4.493 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.965 -4.257 4.756 1.00 0.00 C ATOM 1186 CG ARG A 81 -15.435 -3.954 4.514 1.00 0.00 C ATOM 1187 CD ARG A 81 -16.187 -3.828 5.789 1.00 0.00 C ATOM 1188 NE ARG A 81 -16.142 -5.054 6.570 1.00 0.00 N ATOM 1189 CZ ARG A 81 -16.898 -6.143 6.328 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -17.750 -6.143 5.325 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -16.784 -7.211 7.096 1.00 0.00 N ATOM 0 H ARG A 81 -13.206 -2.134 3.434 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.530 -2.811 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.518 -4.588 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.891 -5.089 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.527 -3.029 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.875 -4.746 3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.772 -3.009 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.225 -3.572 5.574 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.493 -5.092 7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.838 -5.319 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.322 -6.967 5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.123 -7.212 7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.357 -8.035 6.912 1.00 0.00 H new ATOM 1205 N HIS A 82 -11.334 -3.989 6.626 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.955 -4.361 6.915 1.00 0.00 C ATOM 1207 C HIS A 82 -9.808 -5.872 7.047 1.00 0.00 C ATOM 1208 O HIS A 82 -10.255 -6.465 8.029 1.00 0.00 O ATOM 1209 CB HIS A 82 -9.468 -3.681 8.198 1.00 0.00 C ATOM 1210 CG HIS A 82 -9.318 -2.197 8.073 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -10.398 -1.340 8.039 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -8.215 -1.417 7.972 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -9.966 -0.096 7.923 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -8.647 -0.116 7.879 1.00 0.00 N ATOM 0 H HIS A 82 -11.979 -4.126 7.404 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.342 -4.024 6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.169 -3.900 9.003 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.509 -4.111 8.485 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -11.377 -1.622 8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.189 -1.754 7.966 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.587 0.786 7.873 1.00 0.00 H new ATOM 1221 N VAL A 83 -9.179 -6.489 6.054 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.998 -7.936 6.042 1.00 0.00 C ATOM 1223 C VAL A 83 -7.540 -8.307 5.808 1.00 0.00 C ATOM 1224 O VAL A 83 -6.679 -7.436 5.682 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.870 -8.574 4.944 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.344 -8.315 5.217 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.470 -8.029 3.582 1.00 0.00 C ATOM 0 H VAL A 83 -8.785 -6.009 5.245 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.302 -8.316 7.017 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.710 -9.652 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.945 -8.773 4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.617 -8.746 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.527 -7.241 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.091 -8.485 2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.609 -6.948 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.423 -8.263 3.390 1.00 0.00 H new ATOM 1237 N THR A 84 -7.267 -9.606 5.750 1.00 0.00 N ATOM 1238 CA THR A 84 -5.916 -10.096 5.503 1.00 0.00 C ATOM 1239 C THR A 84 -5.343 -9.505 4.222 1.00 0.00 C ATOM 1240 O THR A 84 -5.881 -9.717 3.134 1.00 0.00 O ATOM 1241 CB THR A 84 -5.890 -11.634 5.421 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.376 -12.189 6.650 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.474 -12.130 5.171 1.00 0.00 C ATOM 0 H THR A 84 -7.965 -10.340 5.871 1.00 0.00 H new ATOM 0 HA THR A 84 -5.298 -9.778 6.343 1.00 0.00 H new ATOM 0 HB THR A 84 -6.527 -11.950 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.727 -12.020 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.474 -13.219 5.116 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.105 -11.719 4.231 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.826 -11.808 5.987 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.249 -8.764 4.355 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.544 -8.222 3.199 1.00 0.00 C ATOM 1253 C GLY A 85 -3.817 -6.732 3.038 1.00 0.00 C ATOM 1254 O GLY A 85 -3.068 -6.023 2.366 1.00 0.00 O ATOM 0 H GLY A 85 -3.830 -8.524 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.473 -8.388 3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.856 -8.751 2.298 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.894 -6.262 3.658 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.369 -4.900 3.445 1.00 0.00 C ATOM 1260 C ALA A 86 -4.327 -3.879 3.884 1.00 0.00 C ATOM 1261 O ALA A 86 -3.623 -4.082 4.873 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.677 -4.672 4.187 1.00 0.00 C ATOM 0 H ALA A 86 -5.455 -6.806 4.313 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.542 -4.768 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.018 -3.651 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.429 -5.371 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.522 -4.831 5.254 1.00 0.00 H new ATOM 1268 N MET A 87 -4.234 -2.779 3.143 1.00 0.00 N ATOM 1269 CA MET A 87 -3.364 -1.673 3.521 1.00 0.00 C ATOM 1270 C MET A 87 -4.164 -0.397 3.752 1.00 0.00 C ATOM 1271 O MET A 87 -4.950 0.016 2.900 1.00 0.00 O ATOM 1272 CB MET A 87 -2.299 -1.449 2.448 1.00 0.00 C ATOM 1273 CG MET A 87 -1.360 -2.627 2.237 1.00 0.00 C ATOM 1274 SD MET A 87 -0.265 -2.399 0.821 1.00 0.00 S ATOM 1275 CE MET A 87 0.861 -1.162 1.461 1.00 0.00 C ATOM 0 H MET A 87 -4.751 -2.631 2.277 1.00 0.00 H new ATOM 0 HA MET A 87 -2.872 -1.933 4.458 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.794 -1.222 1.504 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.708 -0.573 2.717 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.760 -2.774 3.135 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.948 -3.534 2.094 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.824 -1.252 0.958 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.450 -0.168 1.283 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.996 -1.312 2.532 1.00 0.00 H new ATOM 1285 N SER A 88 -3.958 0.223 4.908 1.00 0.00 N ATOM 1286 CA SER A 88 -4.828 1.300 5.365 1.00 0.00 C ATOM 1287 C SER A 88 -4.027 2.405 6.043 1.00 0.00 C ATOM 1288 O SER A 88 -3.055 2.137 6.748 1.00 0.00 O ATOM 1289 CB SER A 88 -5.870 0.759 6.324 1.00 0.00 C ATOM 1290 OG SER A 88 -6.736 1.774 6.751 1.00 0.00 O ATOM 0 H SER A 88 -3.195 -0.002 5.547 1.00 0.00 H new ATOM 0 HA SER A 88 -5.325 1.723 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.442 -0.031 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.377 0.310 7.186 1.00 0.00 H new ATOM 0 HG SER A 88 -7.523 1.375 7.178 1.00 0.00 H new ATOM 1296 N MET A 89 -4.442 3.648 5.824 1.00 0.00 N ATOM 1297 CA MET A 89 -3.796 4.793 6.455 1.00 0.00 C ATOM 1298 C MET A 89 -4.054 4.812 7.956 1.00 0.00 C ATOM 1299 O MET A 89 -5.178 4.590 8.405 1.00 0.00 O ATOM 1300 CB MET A 89 -4.280 6.092 5.814 1.00 0.00 C ATOM 1301 CG MET A 89 -3.656 7.353 6.396 1.00 0.00 C ATOM 1302 SD MET A 89 -4.279 8.858 5.621 1.00 0.00 S ATOM 1303 CE MET A 89 -3.067 9.098 4.324 1.00 0.00 C ATOM 0 H MET A 89 -5.223 3.888 5.214 1.00 0.00 H new ATOM 0 HA MET A 89 -2.721 4.703 6.301 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.068 6.056 4.745 1.00 0.00 H new ATOM 0 HB3 MET A 89 -5.363 6.154 5.922 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.855 7.391 7.467 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.574 7.308 6.274 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.416 9.870 3.638 1.00 0.00 H new ATOM 0 HE2 MET A 89 -2.119 9.406 4.765 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.927 8.164 3.779 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.006 5.080 8.728 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.142 5.260 10.169 1.00 0.00 C ATOM 1315 C ALA A 90 -3.694 6.640 10.502 1.00 0.00 C ATOM 1316 O ALA A 90 -3.472 7.602 9.767 1.00 0.00 O ATOM 1317 CB ALA A 90 -1.803 5.046 10.858 1.00 0.00 C ATOM 0 H ALA A 90 -2.052 5.177 8.380 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.850 4.517 10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.921 5.184 11.933 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.449 4.035 10.658 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.079 5.766 10.477 1.00 0.00 H new ATOM 1323 N HIS A 91 -4.414 6.731 11.615 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.035 7.985 12.026 1.00 0.00 C ATOM 1325 C HIS A 91 -4.697 8.317 13.474 1.00 0.00 C ATOM 1326 O HIS A 91 -4.557 7.424 14.309 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.555 7.919 11.853 1.00 0.00 C ATOM 1328 CG HIS A 91 -6.998 7.902 10.423 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -6.855 6.794 9.613 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -7.578 8.854 9.657 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -7.329 7.067 8.410 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -7.774 8.310 8.412 1.00 0.00 N ATOM 0 H HIS A 91 -4.582 5.950 12.249 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.638 8.773 11.387 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.930 7.025 12.351 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.006 8.776 12.354 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.838 9.855 9.967 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.349 6.389 7.569 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.196 8.789 7.616 1.00 0.00 H new ATOM 1339 N ARG A 92 -4.567 9.607 13.765 1.00 0.00 N ATOM 1340 CA ARG A 92 -4.303 10.063 15.124 1.00 0.00 C ATOM 1341 C ARG A 92 -5.578 10.551 15.800 1.00 0.00 C ATOM 1342 O ARG A 92 -5.537 11.100 16.901 1.00 0.00 O ATOM 1343 CB ARG A 92 -3.273 11.184 15.122 1.00 0.00 C ATOM 1344 CG ARG A 92 -1.901 10.791 14.599 1.00 0.00 C ATOM 1345 CD ARG A 92 -0.971 11.949 14.572 1.00 0.00 C ATOM 1346 NE ARG A 92 -0.665 12.429 15.909 1.00 0.00 N ATOM 1347 CZ ARG A 92 0.029 13.554 16.179 1.00 0.00 C ATOM 1348 NH1 ARG A 92 0.480 14.299 15.194 1.00 0.00 N ATOM 1349 NH2 ARG A 92 0.255 13.906 17.432 1.00 0.00 N ATOM 0 H ARG A 92 -4.640 10.356 13.076 1.00 0.00 H new ATOM 0 HA ARG A 92 -3.913 9.213 15.684 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.654 12.007 14.517 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.164 11.560 16.139 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.484 10.004 15.227 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.999 10.379 13.595 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.048 11.661 14.069 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.413 12.757 13.989 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.998 11.876 16.699 1.00 0.00 H new ATOM 0 HH11 ARG A 92 0.305 14.026 14.227 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.005 15.150 15.397 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.095 13.327 18.195 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.780 14.757 17.636 1.00 0.00 H new ATOM 1363 N GLY A 93 -6.710 10.346 15.135 1.00 0.00 N ATOM 1364 CA GLY A 93 -7.998 10.775 15.664 1.00 0.00 C ATOM 1365 C GLY A 93 -9.041 10.878 14.558 1.00 0.00 C ATOM 1366 O GLY A 93 -8.781 10.518 13.411 1.00 0.00 O ATOM 0 H GLY A 93 -6.761 9.884 14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.336 10.069 16.422 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.889 11.742 16.156 1.00 0.00 H new ATOM 1370 N ARG A 94 -10.223 11.372 14.912 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.318 11.495 13.956 1.00 0.00 C ATOM 1372 C ARG A 94 -10.929 12.388 12.785 1.00 0.00 C ATOM 1373 O ARG A 94 -10.603 13.561 12.968 1.00 0.00 O ATOM 1374 CB ARG A 94 -12.558 12.062 14.634 1.00 0.00 C ATOM 1375 CG ARG A 94 -13.800 12.107 13.758 1.00 0.00 C ATOM 1376 CD ARG A 94 -14.974 12.639 14.498 1.00 0.00 C ATOM 1377 NE ARG A 94 -15.350 11.780 15.608 1.00 0.00 N ATOM 1378 CZ ARG A 94 -16.105 10.670 15.495 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -16.555 10.299 14.317 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -16.393 9.955 16.568 1.00 0.00 N ATOM 0 H ARG A 94 -10.447 11.694 15.854 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.537 10.497 13.577 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.776 11.464 15.519 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.337 13.072 14.978 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.607 12.730 12.885 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.024 11.105 13.392 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -14.745 13.637 14.873 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.818 12.740 13.815 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.019 12.035 16.538 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.332 10.851 13.489 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.127 9.459 14.231 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -16.044 10.243 17.482 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.965 9.115 16.482 1.00 0.00 H new ATOM 1394 N ASP A 95 -10.966 11.825 11.582 1.00 0.00 N ATOM 1395 CA ASP A 95 -10.633 12.574 10.376 1.00 0.00 C ATOM 1396 C ASP A 95 -9.272 13.246 10.503 1.00 0.00 C ATOM 1397 O ASP A 95 -9.056 14.337 9.976 1.00 0.00 O ATOM 1398 CB ASP A 95 -11.703 13.629 10.086 1.00 0.00 C ATOM 1399 CG ASP A 95 -13.048 13.021 9.707 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -13.072 12.171 8.848 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -14.037 13.410 10.279 1.00 0.00 O ATOM 0 H ASP A 95 -11.223 10.852 11.416 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.594 11.866 9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.830 14.261 10.965 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -11.360 14.274 9.277 1.00 0.00 H new ATOM 1406 N THR A 96 -8.356 12.588 11.206 1.00 0.00 N ATOM 1407 CA THR A 96 -7.007 13.111 11.387 1.00 0.00 C ATOM 1408 C THR A 96 -5.960 12.089 10.966 1.00 0.00 C ATOM 1409 O THR A 96 -5.229 11.555 11.800 1.00 0.00 O ATOM 1410 CB THR A 96 -6.765 13.528 12.848 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.792 14.437 13.265 1.00 0.00 O ATOM 1412 CG2 THR A 96 -5.408 14.201 12.994 1.00 0.00 C ATOM 0 H THR A 96 -8.524 11.690 11.660 1.00 0.00 H new ATOM 0 HA THR A 96 -6.914 13.991 10.750 1.00 0.00 H new ATOM 0 HB THR A 96 -6.785 12.635 13.472 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.663 13.990 13.219 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.255 14.489 14.034 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.624 13.508 12.690 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.372 15.089 12.363 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.891 11.818 9.667 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.949 10.840 9.135 1.00 0.00 C ATOM 1422 C GLY A 97 -3.511 11.309 9.312 1.00 0.00 C ATOM 1423 O GLY A 97 -3.253 12.500 9.490 1.00 0.00 O ATOM 0 H GLY A 97 -6.478 12.263 8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.088 9.885 9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.152 10.673 8.077 1.00 0.00 H new ATOM 1427 N SER A 98 -2.576 10.366 9.262 1.00 0.00 N ATOM 1428 CA SER A 98 -1.155 10.695 9.263 1.00 0.00 C ATOM 1429 C SER A 98 -0.477 10.207 7.989 1.00 0.00 C ATOM 1430 O SER A 98 -1.125 9.651 7.103 1.00 0.00 O ATOM 1431 CB SER A 98 -0.479 10.082 10.473 1.00 0.00 C ATOM 1432 OG SER A 98 -0.348 8.694 10.326 1.00 0.00 O ATOM 0 H SER A 98 -2.777 9.367 9.220 1.00 0.00 H new ATOM 0 HA SER A 98 -1.060 11.780 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.505 10.531 10.611 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.059 10.303 11.369 1.00 0.00 H new ATOM 0 HG SER A 98 -1.234 8.293 10.207 1.00 0.00 H new ATOM 1438 N CYS A 99 0.831 10.420 7.903 1.00 0.00 N ATOM 1439 CA CYS A 99 1.619 9.911 6.786 1.00 0.00 C ATOM 1440 C CYS A 99 2.004 8.455 7.001 1.00 0.00 C ATOM 1441 O CYS A 99 2.712 7.863 6.187 1.00 0.00 O ATOM 1442 CB CYS A 99 2.885 10.747 6.597 1.00 0.00 C ATOM 1443 SG CYS A 99 3.978 10.767 8.038 1.00 0.00 S ATOM 0 H CYS A 99 1.369 10.942 8.594 1.00 0.00 H new ATOM 0 HA CYS A 99 1.001 9.981 5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.438 10.361 5.740 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.599 11.771 6.357 1.00 0.00 H new ATOM 0 HG CYS A 99 5.112 11.315 7.715 1.00 0.00 H new ATOM 1449 N GLN A 100 1.535 7.879 8.104 1.00 0.00 N ATOM 1450 CA GLN A 100 1.829 6.489 8.428 1.00 0.00 C ATOM 1451 C GLN A 100 0.776 5.553 7.848 1.00 0.00 C ATOM 1452 O GLN A 100 -0.407 5.889 7.798 1.00 0.00 O ATOM 1453 CB GLN A 100 1.918 6.300 9.945 1.00 0.00 C ATOM 1454 CG GLN A 100 3.099 7.001 10.592 1.00 0.00 C ATOM 1455 CD GLN A 100 3.101 6.860 12.102 1.00 0.00 C ATOM 1456 OE1 GLN A 100 2.503 7.669 12.816 1.00 0.00 O ATOM 1457 NE2 GLN A 100 3.774 5.828 12.598 1.00 0.00 N ATOM 0 H GLN A 100 0.949 8.356 8.789 1.00 0.00 H new ATOM 0 HA GLN A 100 2.791 6.240 7.981 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.998 6.667 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.978 5.234 10.164 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.026 6.591 10.191 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.079 8.059 10.329 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.254 5.183 11.970 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.810 5.680 13.607 1.00 0.00 H new ATOM 1466 N PHE A 101 1.214 4.378 7.409 1.00 0.00 N ATOM 1467 CA PHE A 101 0.297 3.342 6.949 1.00 0.00 C ATOM 1468 C PHE A 101 0.603 2.003 7.607 1.00 0.00 C ATOM 1469 O PHE A 101 1.724 1.764 8.056 1.00 0.00 O ATOM 1470 CB PHE A 101 0.374 3.198 5.427 1.00 0.00 C ATOM 1471 CG PHE A 101 0.130 4.481 4.684 1.00 0.00 C ATOM 1472 CD1 PHE A 101 1.172 5.358 4.426 1.00 0.00 C ATOM 1473 CD2 PHE A 101 -1.142 4.814 4.243 1.00 0.00 C ATOM 1474 CE1 PHE A 101 0.951 6.539 3.743 1.00 0.00 C ATOM 1475 CE2 PHE A 101 -1.367 5.992 3.559 1.00 0.00 C ATOM 1476 CZ PHE A 101 -0.319 6.856 3.309 1.00 0.00 C ATOM 0 H PHE A 101 2.200 4.119 7.362 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.712 3.643 7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.358 2.814 5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.357 2.457 5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.169 5.115 4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.966 4.144 4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.772 7.213 3.549 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.362 6.238 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 101 -0.494 7.778 2.775 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.398 1.132 7.661 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.254 -0.164 8.312 1.00 0.00 C ATOM 1488 C PHE A 102 -0.918 -1.266 7.498 1.00 0.00 C ATOM 1489 O PHE A 102 -1.886 -1.023 6.778 1.00 0.00 O ATOM 1490 CB PHE A 102 -0.858 -0.126 9.717 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.340 0.117 9.733 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -3.232 -0.943 9.670 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -2.845 1.406 9.810 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -4.596 -0.720 9.685 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -4.208 1.632 9.826 1.00 0.00 C ATOM 1496 CZ PHE A 102 -5.084 0.567 9.764 1.00 0.00 C ATOM 0 H PHE A 102 -1.321 1.301 7.260 1.00 0.00 H new ATOM 0 HA PHE A 102 0.812 -0.382 8.384 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.649 -1.071 10.218 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.365 0.657 10.293 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.857 -1.954 9.609 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.165 2.243 9.858 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -5.280 -1.554 9.635 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -4.588 2.641 9.887 1.00 0.00 H new ATOM 0 HZ PHE A 102 -6.150 0.742 9.777 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.391 -2.481 7.617 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.907 -3.617 6.862 1.00 0.00 C ATOM 1508 C ILE A 103 -1.621 -4.606 7.775 1.00 0.00 C ATOM 1509 O ILE A 103 -1.042 -5.102 8.742 1.00 0.00 O ATOM 1510 CB ILE A 103 0.226 -4.337 6.110 1.00 0.00 C ATOM 1511 CG1 ILE A 103 0.943 -3.366 5.167 1.00 0.00 C ATOM 1512 CG2 ILE A 103 -0.321 -5.527 5.338 1.00 0.00 C ATOM 1513 CD1 ILE A 103 2.184 -2.743 5.761 1.00 0.00 C ATOM 0 H ILE A 103 0.394 -2.704 8.230 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.623 -3.228 6.138 1.00 0.00 H new ATOM 0 HB ILE A 103 0.948 -4.704 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.215 -3.895 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.251 -2.574 4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.493 -6.025 4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.787 -6.227 6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.062 -5.183 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.636 -2.068 5.034 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.917 -2.184 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.896 -3.527 6.020 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.880 -4.890 7.462 1.00 0.00 N ATOM 1526 CA VAL A 104 -3.685 -5.800 8.270 1.00 0.00 C ATOM 1527 C VAL A 104 -3.401 -7.252 7.912 1.00 0.00 C ATOM 1528 O VAL A 104 -3.326 -7.609 6.736 1.00 0.00 O ATOM 1529 CB VAL A 104 -5.184 -5.508 8.070 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -6.029 -6.506 8.848 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -5.497 -4.084 8.502 1.00 0.00 C ATOM 0 H VAL A 104 -3.366 -4.503 6.653 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.418 -5.640 9.315 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.426 -5.612 7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.085 -6.285 8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.815 -7.516 8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.793 -6.433 9.910 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.559 -3.885 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.244 -3.959 9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.912 -3.385 7.904 1.00 0.00 H new ATOM 1541 N HIS A 105 -3.242 -8.088 8.933 1.00 0.00 N ATOM 1542 CA HIS A 105 -2.915 -9.494 8.727 1.00 0.00 C ATOM 1543 C HIS A 105 -4.118 -10.386 9.010 1.00 0.00 C ATOM 1544 O HIS A 105 -4.276 -11.443 8.398 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.742 -9.913 9.619 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.480 -9.154 9.347 1.00 0.00 C ATOM 1547 ND1 HIS A 105 0.136 -9.151 8.113 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.283 -8.375 10.150 1.00 0.00 C ATOM 1549 CE1 HIS A 105 1.223 -8.401 8.168 1.00 0.00 C ATOM 1550 NE2 HIS A 105 1.334 -7.919 9.393 1.00 0.00 N ATOM 0 H HIS A 105 -3.334 -7.816 9.912 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.630 -9.615 7.682 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -2.022 -9.773 10.663 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.553 -10.977 9.480 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -0.195 -9.650 7.287 1.00 0.00 H new ATOM 0 HD2 HIS A 105 0.099 -8.154 11.191 1.00 0.00 H new ATOM 0 HE1 HIS A 105 1.904 -8.214 7.351 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.963 -9.954 9.939 1.00 0.00 N ATOM 1558 CA GLU A 106 -6.234 -10.622 10.189 1.00 0.00 C ATOM 1559 C GLU A 106 -7.384 -9.624 10.221 1.00 0.00 C ATOM 1560 O GLU A 106 -7.206 -8.470 10.608 1.00 0.00 O ATOM 1561 CB GLU A 106 -6.180 -11.395 11.509 1.00 0.00 C ATOM 1562 CG GLU A 106 -5.207 -12.565 11.513 1.00 0.00 C ATOM 1563 CD GLU A 106 -5.225 -13.337 12.803 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -5.949 -12.956 13.691 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -4.512 -14.309 12.901 1.00 0.00 O ATOM 0 H GLU A 106 -4.790 -9.143 10.532 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.409 -11.321 9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.905 -10.707 12.308 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.178 -11.768 11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.451 -13.237 10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.199 -12.193 11.332 1.00 0.00 H new ATOM 1572 N PRO A 107 -8.565 -10.077 9.812 1.00 0.00 N ATOM 1573 CA PRO A 107 -9.731 -9.207 9.725 1.00 0.00 C ATOM 1574 C PRO A 107 -9.939 -8.431 11.019 1.00 0.00 C ATOM 1575 O PRO A 107 -9.863 -8.995 12.111 1.00 0.00 O ATOM 1576 CB PRO A 107 -10.877 -10.189 9.464 1.00 0.00 C ATOM 1577 CG PRO A 107 -10.247 -11.285 8.674 1.00 0.00 C ATOM 1578 CD PRO A 107 -8.874 -11.437 9.273 1.00 0.00 C ATOM 0 HA PRO A 107 -9.642 -8.444 8.951 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.301 -10.563 10.396 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.689 -9.716 8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.819 -12.210 8.751 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.193 -11.031 7.615 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.863 -12.191 10.060 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.144 -11.746 8.525 1.00 0.00 H new ATOM 1586 N GLN A 108 -10.200 -7.135 10.892 1.00 0.00 N ATOM 1587 CA GLN A 108 -10.405 -6.277 12.053 1.00 0.00 C ATOM 1588 C GLN A 108 -11.739 -5.545 11.967 1.00 0.00 C ATOM 1589 O GLN A 108 -11.812 -4.424 11.463 1.00 0.00 O ATOM 1590 CB GLN A 108 -9.262 -5.267 12.182 1.00 0.00 C ATOM 1591 CG GLN A 108 -7.888 -5.897 12.324 1.00 0.00 C ATOM 1592 CD GLN A 108 -7.766 -6.746 13.575 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -8.130 -6.315 14.673 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -7.254 -7.962 13.416 1.00 0.00 N ATOM 0 H GLN A 108 -10.275 -6.655 9.995 1.00 0.00 H new ATOM 0 HA GLN A 108 -10.419 -6.913 12.938 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.264 -4.619 11.305 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.449 -4.632 13.048 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.682 -6.513 11.449 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.132 -5.112 12.346 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.966 -8.277 12.490 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.149 -8.580 14.220 1.00 0.00 H new ATOM 1603 N PRO A 109 -12.792 -6.185 12.463 1.00 0.00 N ATOM 1604 CA PRO A 109 -14.117 -5.576 12.489 1.00 0.00 C ATOM 1605 C PRO A 109 -14.086 -4.220 13.180 1.00 0.00 C ATOM 1606 O PRO A 109 -14.852 -3.319 12.835 1.00 0.00 O ATOM 1607 CB PRO A 109 -14.948 -6.594 13.276 1.00 0.00 C ATOM 1608 CG PRO A 109 -14.268 -7.895 13.024 1.00 0.00 C ATOM 1609 CD PRO A 109 -12.802 -7.556 13.013 1.00 0.00 C ATOM 0 HA PRO A 109 -14.521 -5.376 11.496 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -14.968 -6.355 14.339 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -15.983 -6.613 12.934 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -14.502 -8.622 13.801 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -14.582 -8.330 12.075 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -12.370 -7.595 14.013 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.231 -8.246 12.392 1.00 0.00 H new ATOM 1617 N HIS A 110 -13.198 -4.080 14.158 1.00 0.00 N ATOM 1618 CA HIS A 110 -13.136 -2.870 14.968 1.00 0.00 C ATOM 1619 C HIS A 110 -12.586 -1.696 14.167 1.00 0.00 C ATOM 1620 O HIS A 110 -12.851 -0.537 14.485 1.00 0.00 O ATOM 1621 CB HIS A 110 -12.270 -3.096 16.213 1.00 0.00 C ATOM 1622 CG HIS A 110 -12.864 -4.060 17.192 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -14.016 -3.787 17.900 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -12.466 -5.294 17.582 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -14.300 -4.813 18.682 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -13.376 -5.739 18.509 1.00 0.00 N ATOM 0 H HIS A 110 -12.511 -4.791 14.409 1.00 0.00 H new ATOM 0 HA HIS A 110 -14.153 -2.631 15.278 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.292 -3.463 15.903 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -12.108 -2.140 16.711 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.596 -5.828 17.230 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.146 -4.882 19.350 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.343 -6.640 18.987 1.00 0.00 H new ATOM 1633 N LEU A 111 -11.819 -2.005 13.127 1.00 0.00 N ATOM 1634 CA LEU A 111 -11.177 -0.976 12.317 1.00 0.00 C ATOM 1635 C LEU A 111 -11.997 -0.664 11.072 1.00 0.00 C ATOM 1636 O LEU A 111 -11.713 0.296 10.355 1.00 0.00 O ATOM 1637 CB LEU A 111 -9.768 -1.426 11.909 1.00 0.00 C ATOM 1638 CG LEU A 111 -8.798 -1.705 13.065 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -7.442 -2.108 12.504 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -8.682 -0.466 13.940 1.00 0.00 C ATOM 0 H LEU A 111 -11.627 -2.960 12.825 1.00 0.00 H new ATOM 0 HA LEU A 111 -11.108 -0.070 12.919 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.855 -2.330 11.306 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.332 -0.658 11.270 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.174 -2.525 13.678 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.753 -2.306 13.325 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.552 -3.007 11.897 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.049 -1.300 11.887 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.993 -0.664 14.761 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.307 0.366 13.344 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.663 -0.212 14.342 1.00 0.00 H new ATOM 1652 N ASP A 112 -13.015 -1.480 10.820 1.00 0.00 N ATOM 1653 CA ASP A 112 -13.855 -1.314 9.640 1.00 0.00 C ATOM 1654 C ASP A 112 -14.624 0.000 9.691 1.00 0.00 C ATOM 1655 O ASP A 112 -15.337 0.277 10.656 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.838 -2.482 9.512 1.00 0.00 C ATOM 1657 CG ASP A 112 -14.154 -3.793 9.151 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -12.966 -3.780 8.929 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -14.826 -4.796 9.101 1.00 0.00 O ATOM 0 H ASP A 112 -13.278 -2.263 11.418 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.200 -1.298 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -15.374 -2.604 10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.581 -2.244 8.751 1.00 0.00 H new ATOM 1664 N GLY A 113 -14.475 0.808 8.647 1.00 0.00 N ATOM 1665 CA GLY A 113 -15.157 2.094 8.570 1.00 0.00 C ATOM 1666 C GLY A 113 -14.466 3.137 9.439 1.00 0.00 C ATOM 1667 O GLY A 113 -14.947 4.262 9.578 1.00 0.00 O ATOM 0 H GLY A 113 -13.887 0.594 7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -15.179 2.436 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -16.193 1.979 8.890 1.00 0.00 H new ATOM 1671 N VAL A 114 -13.335 2.756 10.025 1.00 0.00 N ATOM 1672 CA VAL A 114 -12.595 3.644 10.914 1.00 0.00 C ATOM 1673 C VAL A 114 -11.380 4.239 10.213 1.00 0.00 C ATOM 1674 O VAL A 114 -11.151 5.447 10.265 1.00 0.00 O ATOM 1675 CB VAL A 114 -12.139 2.882 12.171 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -11.310 3.787 13.071 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -13.348 2.341 12.917 1.00 0.00 C ATOM 0 H VAL A 114 -12.911 1.837 9.900 1.00 0.00 H new ATOM 0 HA VAL A 114 -13.262 4.456 11.202 1.00 0.00 H new ATOM 0 HB VAL A 114 -11.513 2.043 11.867 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -10.996 3.232 13.955 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -10.430 4.133 12.528 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -11.909 4.645 13.375 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -13.017 1.803 13.805 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -13.993 3.168 13.213 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -13.903 1.663 12.268 1.00 0.00 H new ATOM 1687 N HIS A 115 -10.603 3.382 9.559 1.00 0.00 N ATOM 1688 CA HIS A 115 -9.456 3.829 8.778 1.00 0.00 C ATOM 1689 C HIS A 115 -9.704 3.657 7.285 1.00 0.00 C ATOM 1690 O HIS A 115 -10.571 2.885 6.876 1.00 0.00 O ATOM 1691 CB HIS A 115 -8.193 3.062 9.185 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.792 3.278 10.611 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.944 4.294 11.000 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -8.120 2.608 11.740 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.769 4.240 12.309 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -7.472 3.226 12.781 1.00 0.00 N ATOM 0 H HIS A 115 -10.747 2.372 9.555 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.311 4.889 8.984 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -8.356 1.997 9.020 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -7.371 3.363 8.536 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -6.519 4.979 10.376 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -8.770 1.748 11.809 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.156 4.910 12.893 1.00 0.00 H new ATOM 1703 N THR A 116 -8.937 4.379 6.476 1.00 0.00 N ATOM 1704 CA THR A 116 -9.142 4.388 5.033 1.00 0.00 C ATOM 1705 C THR A 116 -8.210 3.402 4.338 1.00 0.00 C ATOM 1706 O THR A 116 -6.998 3.611 4.284 1.00 0.00 O ATOM 1707 CB THR A 116 -8.929 5.797 4.451 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.878 6.704 5.028 1.00 0.00 O ATOM 1709 CG2 THR A 116 -9.102 5.784 2.941 1.00 0.00 C ATOM 0 H THR A 116 -8.167 4.966 6.796 1.00 0.00 H new ATOM 0 HA THR A 116 -10.173 4.084 4.852 1.00 0.00 H new ATOM 0 HB THR A 116 -7.915 6.120 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.468 7.589 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.948 6.789 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.374 5.105 2.497 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.109 5.448 2.693 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.784 2.328 3.807 1.00 0.00 N ATOM 1718 CA VAL A 117 -8.026 1.371 3.010 1.00 0.00 C ATOM 1719 C VAL A 117 -7.766 1.906 1.607 1.00 0.00 C ATOM 1720 O VAL A 117 -8.664 2.446 0.962 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.788 0.035 2.913 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -8.048 -0.935 2.004 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.971 -0.559 4.301 1.00 0.00 C ATOM 0 H VAL A 117 -9.772 2.098 3.914 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.069 1.211 3.506 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.772 0.219 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.600 -1.873 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.960 -0.504 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.053 -1.124 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.510 -1.503 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.995 -0.734 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.539 0.134 4.921 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.531 1.754 1.141 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.100 2.377 -0.104 1.00 0.00 C ATOM 1735 C PHE A 118 -5.488 1.352 -1.051 1.00 0.00 C ATOM 1736 O PHE A 118 -5.322 1.614 -2.242 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.086 3.487 0.178 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.779 2.990 0.726 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.612 2.790 2.088 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.714 2.719 -0.120 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.411 2.334 2.594 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.511 2.261 0.384 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.359 2.069 1.741 1.00 0.00 C ATOM 0 H PHE A 118 -5.810 1.204 1.608 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.981 2.806 -0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -4.897 4.036 -0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.521 4.192 0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.432 2.993 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -2.826 2.867 -1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.295 2.185 3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.689 2.053 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.419 1.712 2.135 1.00 0.00 H new ATOM 1753 N GLY A 119 -5.154 0.183 -0.514 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.551 -0.880 -1.307 1.00 0.00 C ATOM 1755 C GLY A 119 -4.487 -2.184 -0.523 1.00 0.00 C ATOM 1756 O GLY A 119 -5.114 -2.319 0.527 1.00 0.00 O ATOM 0 H GLY A 119 -5.291 -0.052 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.129 -1.029 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.546 -0.586 -1.611 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.727 -3.143 -1.040 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.479 -4.392 -0.330 1.00 0.00 C ATOM 1762 C GLN A 120 -2.233 -5.090 -0.859 1.00 0.00 C ATOM 1763 O GLN A 120 -1.893 -4.966 -2.036 1.00 0.00 O ATOM 1764 CB GLN A 120 -4.689 -5.323 -0.446 1.00 0.00 C ATOM 1765 CG GLN A 120 -4.908 -5.889 -1.840 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.056 -6.878 -1.888 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.224 -6.491 -1.990 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -5.732 -8.163 -1.815 1.00 0.00 N ATOM 0 H GLN A 120 -3.271 -3.079 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.315 -4.150 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -4.566 -6.149 0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.583 -4.778 -0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -5.106 -5.072 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -3.995 -6.379 -2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -4.753 -8.438 -1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -6.462 -8.875 -1.843 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.555 -5.824 0.016 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.400 -6.619 -0.382 1.00 0.00 C ATOM 1779 C VAL A 121 -0.830 -7.904 -1.079 1.00 0.00 C ATOM 1780 O VAL A 121 -1.679 -8.640 -0.575 1.00 0.00 O ATOM 1781 CB VAL A 121 0.460 -6.968 0.847 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.625 -7.862 0.447 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.960 -5.693 1.507 1.00 0.00 C ATOM 0 H VAL A 121 -1.786 -5.885 1.008 1.00 0.00 H new ATOM 0 HA VAL A 121 0.187 -6.022 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.153 -7.515 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.222 -8.098 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.242 -8.784 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.246 -7.345 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.568 -5.947 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.562 -5.127 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.109 -5.089 1.823 1.00 0.00 H new ATOM 1793 N THR A 122 -0.239 -8.169 -2.239 1.00 0.00 N ATOM 1794 CA THR A 122 -0.684 -9.264 -3.093 1.00 0.00 C ATOM 1795 C THR A 122 0.363 -10.368 -3.163 1.00 0.00 C ATOM 1796 O THR A 122 0.060 -11.502 -3.533 1.00 0.00 O ATOM 1797 CB THR A 122 -1.004 -8.764 -4.513 1.00 0.00 C ATOM 1798 OG1 THR A 122 0.168 -8.178 -5.092 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.118 -7.729 -4.476 1.00 0.00 C ATOM 0 H THR A 122 0.550 -7.640 -2.610 1.00 0.00 H new ATOM 0 HA THR A 122 -1.593 -9.671 -2.649 1.00 0.00 H new ATOM 0 HB THR A 122 -1.330 -9.612 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.037 -7.862 -5.997 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.331 -7.387 -5.489 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.015 -8.176 -4.048 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.807 -6.882 -3.865 1.00 0.00 H new ATOM 1807 N SER A 123 1.598 -10.030 -2.806 1.00 0.00 N ATOM 1808 CA SER A 123 2.657 -11.022 -2.675 1.00 0.00 C ATOM 1809 C SER A 123 3.490 -10.777 -1.423 1.00 0.00 C ATOM 1810 O SER A 123 3.694 -9.635 -1.016 1.00 0.00 O ATOM 1811 CB SER A 123 3.550 -10.998 -3.901 1.00 0.00 C ATOM 1812 OG SER A 123 4.342 -9.842 -3.921 1.00 0.00 O ATOM 0 H SER A 123 1.890 -9.074 -2.602 1.00 0.00 H new ATOM 0 HA SER A 123 2.190 -12.003 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 123 4.189 -11.881 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.938 -11.040 -4.802 1.00 0.00 H new ATOM 0 HG SER A 123 5.019 -9.922 -4.625 1.00 0.00 H new ATOM 1818 N GLY A 124 3.968 -11.858 -0.817 1.00 0.00 N ATOM 1819 CA GLY A 124 4.856 -11.760 0.336 1.00 0.00 C ATOM 1820 C GLY A 124 4.127 -11.187 1.544 1.00 0.00 C ATOM 1821 O GLY A 124 4.710 -10.454 2.344 1.00 0.00 O ATOM 0 H GLY A 124 3.755 -12.813 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.250 -12.747 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.709 -11.128 0.089 1.00 0.00 H new ATOM 1825 N MET A 125 2.848 -11.524 1.673 1.00 0.00 N ATOM 1826 CA MET A 125 2.067 -11.139 2.842 1.00 0.00 C ATOM 1827 C MET A 125 2.675 -11.703 4.120 1.00 0.00 C ATOM 1828 O MET A 125 2.698 -11.037 5.155 1.00 0.00 O ATOM 1829 CB MET A 125 0.621 -11.606 2.688 1.00 0.00 C ATOM 1830 CG MET A 125 -0.178 -10.846 1.639 1.00 0.00 C ATOM 1831 SD MET A 125 -1.946 -11.190 1.727 1.00 0.00 S ATOM 1832 CE MET A 125 -1.987 -12.895 1.182 1.00 0.00 C ATOM 0 H MET A 125 2.330 -12.064 0.980 1.00 0.00 H new ATOM 0 HA MET A 125 2.081 -10.052 2.916 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.620 -12.665 2.431 1.00 0.00 H new ATOM 0 HB3 MET A 125 0.117 -11.511 3.650 1.00 0.00 H new ATOM 0 HG2 MET A 125 -0.013 -9.776 1.767 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.190 -11.108 0.647 1.00 0.00 H new ATOM 0 HE1 MET A 125 -3.022 -13.214 1.063 1.00 0.00 H new ATOM 0 HE2 MET A 125 -1.468 -12.985 0.228 1.00 0.00 H new ATOM 0 HE3 MET A 125 -1.496 -13.526 1.923 1.00 0.00 H new ATOM 1842 N ASP A 126 3.166 -12.936 4.042 1.00 0.00 N ATOM 1843 CA ASP A 126 3.885 -13.545 5.155 1.00 0.00 C ATOM 1844 C ASP A 126 5.183 -12.804 5.444 1.00 0.00 C ATOM 1845 O ASP A 126 5.560 -12.622 6.603 1.00 0.00 O ATOM 1846 CB ASP A 126 4.184 -15.016 4.858 1.00 0.00 C ATOM 1847 CG ASP A 126 2.948 -15.901 4.936 1.00 0.00 C ATOM 1848 OD1 ASP A 126 1.947 -15.446 5.436 1.00 0.00 O ATOM 1849 OD2 ASP A 126 3.016 -17.024 4.496 1.00 0.00 O ATOM 0 H ASP A 126 3.079 -13.533 3.219 1.00 0.00 H new ATOM 0 HA ASP A 126 3.247 -13.480 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 126 4.621 -15.099 3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 126 4.930 -15.380 5.565 1.00 0.00 H new ATOM 1854 N VAL A 127 5.864 -12.378 4.386 1.00 0.00 N ATOM 1855 CA VAL A 127 7.099 -11.615 4.526 1.00 0.00 C ATOM 1856 C VAL A 127 6.862 -10.321 5.295 1.00 0.00 C ATOM 1857 O VAL A 127 7.654 -9.948 6.161 1.00 0.00 O ATOM 1858 CB VAL A 127 7.683 -11.285 3.140 1.00 0.00 C ATOM 1859 CG1 VAL A 127 8.859 -10.328 3.271 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.106 -12.566 2.438 1.00 0.00 C ATOM 0 H VAL A 127 5.581 -12.548 3.421 1.00 0.00 H new ATOM 0 HA VAL A 127 7.806 -12.228 5.084 1.00 0.00 H new ATOM 0 HB VAL A 127 6.915 -10.796 2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.259 -10.106 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.525 -9.404 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.636 -10.788 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 127 8.518 -12.325 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.863 -13.075 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.241 -13.218 2.317 1.00 0.00 H new ATOM 1870 N VAL A 128 5.768 -9.640 4.974 1.00 0.00 N ATOM 1871 CA VAL A 128 5.355 -8.458 5.720 1.00 0.00 C ATOM 1872 C VAL A 128 5.031 -8.804 7.168 1.00 0.00 C ATOM 1873 O VAL A 128 5.430 -8.095 8.090 1.00 0.00 O ATOM 1874 CB VAL A 128 4.120 -7.814 5.061 1.00 0.00 C ATOM 1875 CG1 VAL A 128 3.607 -6.657 5.907 1.00 0.00 C ATOM 1876 CG2 VAL A 128 4.469 -7.342 3.658 1.00 0.00 C ATOM 0 H VAL A 128 5.150 -9.887 4.201 1.00 0.00 H new ATOM 0 HA VAL A 128 6.186 -7.753 5.708 1.00 0.00 H new ATOM 0 HB VAL A 128 3.327 -8.559 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.735 -6.214 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.330 -7.024 6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 128 4.389 -5.904 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.591 -6.888 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.272 -6.607 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.794 -8.192 3.058 1.00 0.00 H new ATOM 1886 N ARG A 129 4.306 -9.901 7.360 1.00 0.00 N ATOM 1887 CA ARG A 129 3.939 -10.354 8.697 1.00 0.00 C ATOM 1888 C ARG A 129 5.176 -10.643 9.538 1.00 0.00 C ATOM 1889 O ARG A 129 5.189 -10.401 10.744 1.00 0.00 O ATOM 1890 CB ARG A 129 3.078 -11.604 8.621 1.00 0.00 C ATOM 1891 CG ARG A 129 2.463 -12.038 9.943 1.00 0.00 C ATOM 1892 CD ARG A 129 1.610 -13.244 9.783 1.00 0.00 C ATOM 1893 NE ARG A 129 0.436 -12.974 8.967 1.00 0.00 N ATOM 1894 CZ ARG A 129 -0.302 -13.918 8.352 1.00 0.00 C ATOM 1895 NH1 ARG A 129 0.024 -15.186 8.469 1.00 0.00 N ATOM 1896 NH2 ARG A 129 -1.354 -13.569 7.632 1.00 0.00 N ATOM 0 H ARG A 129 3.960 -10.494 6.605 1.00 0.00 H new ATOM 0 HA ARG A 129 3.371 -9.553 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.276 -11.432 7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.684 -12.422 8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.255 -12.246 10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.867 -11.222 10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.194 -14.043 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.296 -13.599 10.764 1.00 0.00 H new ATOM 0 HE ARG A 129 0.152 -12.001 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.836 -15.455 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.535 -15.901 8.003 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -1.607 -12.585 7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.913 -14.284 7.166 1.00 0.00 H new ATOM 1910 N THR A 130 6.216 -11.163 8.893 1.00 0.00 N ATOM 1911 CA THR A 130 7.417 -11.594 9.599 1.00 0.00 C ATOM 1912 C THR A 130 8.487 -10.510 9.578 1.00 0.00 C ATOM 1913 O THR A 130 9.661 -10.779 9.833 1.00 0.00 O ATOM 1914 CB THR A 130 7.981 -12.891 8.990 1.00 0.00 C ATOM 1915 OG1 THR A 130 8.254 -12.689 7.597 1.00 0.00 O ATOM 1916 CG2 THR A 130 6.987 -14.031 9.148 1.00 0.00 C ATOM 0 H THR A 130 6.251 -11.296 7.882 1.00 0.00 H new ATOM 0 HA THR A 130 7.133 -11.785 10.634 1.00 0.00 H new ATOM 0 HB THR A 130 8.901 -13.150 9.514 1.00 0.00 H new ATOM 0 HG1 THR A 130 7.412 -12.691 7.095 1.00 0.00 H new ATOM 0 HG21 THR A 130 7.403 -14.939 8.712 1.00 0.00 H new ATOM 0 HG22 THR A 130 6.787 -14.195 10.207 1.00 0.00 H new ATOM 0 HG23 THR A 130 6.058 -13.776 8.639 1.00 0.00 H new ATOM 1924 N MET A 131 8.076 -9.285 9.271 1.00 0.00 N ATOM 1925 CA MET A 131 8.947 -8.125 9.416 1.00 0.00 C ATOM 1926 C MET A 131 9.286 -7.870 10.879 1.00 0.00 C ATOM 1927 O MET A 131 8.585 -8.333 11.778 1.00 0.00 O ATOM 1928 CB MET A 131 8.292 -6.892 8.798 1.00 0.00 C ATOM 1929 CG MET A 131 8.300 -6.872 7.275 1.00 0.00 C ATOM 1930 SD MET A 131 7.507 -5.400 6.596 1.00 0.00 S ATOM 1931 CE MET A 131 7.755 -5.663 4.842 1.00 0.00 C ATOM 0 H MET A 131 7.143 -9.069 8.919 1.00 0.00 H new ATOM 0 HA MET A 131 9.878 -8.333 8.888 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.260 -6.831 9.145 1.00 0.00 H new ATOM 0 HB3 MET A 131 8.804 -6.002 9.164 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.329 -6.922 6.920 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.790 -7.760 6.901 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.937 -5.205 4.286 1.00 0.00 H new ATOM 0 HE2 MET A 131 8.699 -5.212 4.536 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.780 -6.733 4.634 1.00 0.00 H new ATOM 1941 N LYS A 132 10.364 -7.130 11.112 1.00 0.00 N ATOM 1942 CA LYS A 132 10.835 -6.866 12.465 1.00 0.00 C ATOM 1943 C LYS A 132 10.499 -5.445 12.899 1.00 0.00 C ATOM 1944 O LYS A 132 10.260 -4.572 12.065 1.00 0.00 O ATOM 1945 CB LYS A 132 12.343 -7.102 12.564 1.00 0.00 C ATOM 1946 CG LYS A 132 12.774 -8.538 12.295 1.00 0.00 C ATOM 1947 CD LYS A 132 14.281 -8.698 12.426 1.00 0.00 C ATOM 1948 CE LYS A 132 14.710 -10.139 12.190 1.00 0.00 C ATOM 1949 NZ LYS A 132 16.178 -10.316 12.348 1.00 0.00 N ATOM 0 H LYS A 132 10.929 -6.702 10.379 1.00 0.00 H new ATOM 0 HA LYS A 132 10.324 -7.557 13.135 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.849 -6.445 11.856 1.00 0.00 H new ATOM 0 HB3 LYS A 132 12.679 -6.815 13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.273 -9.207 12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.461 -8.832 11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 132 14.781 -8.046 11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 132 14.597 -8.381 13.420 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.189 -10.792 12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.414 -10.446 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 16.428 -11.311 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 16.676 -9.713 11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 16.458 -10.048 13.313 1.00 0.00 H new ATOM 1963 N ASN A 133 10.481 -5.220 14.208 1.00 0.00 N ATOM 1964 CA ASN A 133 10.309 -3.878 14.752 1.00 0.00 C ATOM 1965 C ASN A 133 11.527 -3.008 14.469 1.00 0.00 C ATOM 1966 O ASN A 133 12.601 -3.226 15.029 1.00 0.00 O ATOM 1967 CB ASN A 133 10.031 -3.938 16.243 1.00 0.00 C ATOM 1968 CG ASN A 133 9.725 -2.587 16.828 1.00 0.00 C ATOM 1969 OD1 ASN A 133 10.206 -1.560 16.336 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.934 -2.568 17.871 1.00 0.00 N ATOM 0 H ASN A 133 10.584 -5.950 14.913 1.00 0.00 H new ATOM 0 HA ASN A 133 9.451 -3.424 14.257 1.00 0.00 H new ATOM 0 HB2 ASN A 133 9.191 -4.608 16.426 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.895 -4.364 16.753 1.00 0.00 H new ATOM 0 HD21 ASN A 133 8.692 -1.680 18.311 1.00 0.00 H new ATOM 0 HD22 ASN A 133 8.560 -3.441 18.243 1.00 0.00 H new ATOM 1977 N GLY A 134 11.353 -2.022 13.596 1.00 0.00 N ATOM 1978 CA GLY A 134 12.457 -1.165 13.178 1.00 0.00 C ATOM 1979 C GLY A 134 13.122 -1.701 11.918 1.00 0.00 C ATOM 1980 O GLY A 134 14.208 -1.260 11.542 1.00 0.00 O ATOM 0 H GLY A 134 10.457 -1.796 13.164 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.089 -0.155 12.997 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.192 -1.097 13.980 1.00 0.00 H new ATOM 1984 N ASP A 135 12.466 -2.657 11.269 1.00 0.00 N ATOM 1985 CA ASP A 135 12.928 -3.167 9.983 1.00 0.00 C ATOM 1986 C ASP A 135 12.983 -2.060 8.939 1.00 0.00 C ATOM 1987 O ASP A 135 12.039 -1.284 8.791 1.00 0.00 O ATOM 1988 CB ASP A 135 12.016 -4.294 9.493 1.00 0.00 C ATOM 1989 CG ASP A 135 12.638 -5.113 8.369 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.731 -4.798 7.966 1.00 0.00 O ATOM 1991 OD2 ASP A 135 12.011 -6.046 7.926 1.00 0.00 O ATOM 0 H ASP A 135 11.611 -3.095 11.613 1.00 0.00 H new ATOM 0 HA ASP A 135 13.935 -3.558 10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.780 -4.953 10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 135 11.074 -3.868 9.147 1.00 0.00 H new ATOM 1996 N VAL A 136 14.096 -1.991 8.215 1.00 0.00 N ATOM 1997 CA VAL A 136 14.391 -0.837 7.373 1.00 0.00 C ATOM 1998 C VAL A 136 13.800 -1.005 5.980 1.00 0.00 C ATOM 1999 O VAL A 136 14.002 -2.029 5.328 1.00 0.00 O ATOM 2000 CB VAL A 136 15.914 -0.635 7.260 1.00 0.00 C ATOM 2001 CG1 VAL A 136 16.230 0.532 6.336 1.00 0.00 C ATOM 2002 CG2 VAL A 136 16.510 -0.407 8.641 1.00 0.00 C ATOM 0 H VAL A 136 14.808 -2.721 8.195 1.00 0.00 H new ATOM 0 HA VAL A 136 13.939 0.038 7.840 1.00 0.00 H new ATOM 0 HB VAL A 136 16.359 -1.533 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 136 17.310 0.660 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.825 0.331 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.781 1.442 6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 136 17.587 -0.265 8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 136 16.062 0.480 9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 136 16.308 -1.273 9.272 1.00 0.00 H new ATOM 2012 N MET A 137 13.068 0.008 5.527 1.00 0.00 N ATOM 2013 CA MET A 137 12.583 0.049 4.153 1.00 0.00 C ATOM 2014 C MET A 137 13.628 0.641 3.217 1.00 0.00 C ATOM 2015 O MET A 137 14.090 1.764 3.416 1.00 0.00 O ATOM 2016 CB MET A 137 11.284 0.850 4.075 1.00 0.00 C ATOM 2017 CG MET A 137 10.087 0.173 4.728 1.00 0.00 C ATOM 2018 SD MET A 137 8.587 1.172 4.636 1.00 0.00 S ATOM 2019 CE MET A 137 8.839 2.289 6.011 1.00 0.00 C ATOM 0 H MET A 137 12.798 0.812 6.093 1.00 0.00 H new ATOM 0 HA MET A 137 12.388 -0.974 3.833 1.00 0.00 H new ATOM 0 HB2 MET A 137 11.440 1.819 4.548 1.00 0.00 H new ATOM 0 HB3 MET A 137 11.051 1.040 3.027 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.909 -0.787 4.244 1.00 0.00 H new ATOM 0 HG3 MET A 137 10.317 -0.034 5.773 1.00 0.00 H new ATOM 0 HE1 MET A 137 8.046 2.146 6.746 1.00 0.00 H new ATOM 0 HE2 MET A 137 9.804 2.084 6.474 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.820 3.318 5.652 1.00 0.00 H new ATOM 2029 N LYS A 138 14.000 -0.123 2.195 1.00 0.00 N ATOM 2030 CA LYS A 138 15.075 0.272 1.294 1.00 0.00 C ATOM 2031 C LYS A 138 14.542 1.085 0.121 1.00 0.00 C ATOM 2032 O LYS A 138 15.159 2.063 -0.300 1.00 0.00 O ATOM 2033 CB LYS A 138 15.826 -0.959 0.783 1.00 0.00 C ATOM 2034 CG LYS A 138 17.012 -0.644 -0.118 1.00 0.00 C ATOM 2035 CD LYS A 138 17.810 -1.898 -0.441 1.00 0.00 C ATOM 2036 CE LYS A 138 19.025 -1.576 -1.299 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.892 -2.768 -1.504 1.00 0.00 N ATOM 0 H LYS A 138 13.571 -1.021 1.970 1.00 0.00 H new ATOM 0 HA LYS A 138 15.766 0.900 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.178 -1.535 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.129 -1.594 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.658 -0.188 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.659 0.085 0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 138 18.132 -2.375 0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 138 17.173 -2.612 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.696 -1.196 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.604 -0.783 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.708 -2.506 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 20.227 -3.116 -0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 19.347 -3.516 -1.979 1.00 0.00 H new ATOM 2051 N GLU A 139 13.393 0.673 -0.403 1.00 0.00 N ATOM 2052 CA GLU A 139 12.757 1.382 -1.507 1.00 0.00 C ATOM 2053 C GLU A 139 11.264 1.083 -1.566 1.00 0.00 C ATOM 2054 O GLU A 139 10.845 -0.066 -1.423 1.00 0.00 O ATOM 2055 CB GLU A 139 13.415 1.002 -2.835 1.00 0.00 C ATOM 2056 CG GLU A 139 12.838 1.715 -4.050 1.00 0.00 C ATOM 2057 CD GLU A 139 13.542 1.354 -5.329 1.00 0.00 C ATOM 2058 OE1 GLU A 139 13.479 0.213 -5.717 1.00 0.00 O ATOM 2059 OE2 GLU A 139 14.142 2.222 -5.917 1.00 0.00 O ATOM 0 H GLU A 139 12.883 -0.149 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 139 12.887 2.450 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.481 1.220 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.317 -0.074 -2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.780 1.468 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.902 2.792 -3.897 1.00 0.00 H new ATOM 2066 N VAL A 140 10.466 2.124 -1.776 1.00 0.00 N ATOM 2067 CA VAL A 140 9.044 1.956 -2.051 1.00 0.00 C ATOM 2068 C VAL A 140 8.633 2.709 -3.310 1.00 0.00 C ATOM 2069 O VAL A 140 8.787 3.928 -3.394 1.00 0.00 O ATOM 2070 CB VAL A 140 8.206 2.458 -0.860 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.721 2.338 -1.165 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.566 1.673 0.392 1.00 0.00 C ATOM 0 H VAL A 140 10.780 3.094 -1.761 1.00 0.00 H new ATOM 0 HA VAL A 140 8.860 0.893 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 140 8.430 3.511 -0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.144 2.697 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.481 2.936 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.472 1.294 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.970 2.033 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.362 0.615 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 140 9.624 1.808 0.614 1.00 0.00 H new ATOM 2082 N LYS A 141 8.111 1.977 -4.288 1.00 0.00 N ATOM 2083 CA LYS A 141 7.829 2.542 -5.602 1.00 0.00 C ATOM 2084 C LYS A 141 6.388 2.273 -6.019 1.00 0.00 C ATOM 2085 O LYS A 141 5.895 1.153 -5.894 1.00 0.00 O ATOM 2086 CB LYS A 141 8.793 1.979 -6.646 1.00 0.00 C ATOM 2087 CG LYS A 141 8.622 2.564 -8.042 1.00 0.00 C ATOM 2088 CD LYS A 141 9.674 2.028 -9.000 1.00 0.00 C ATOM 2089 CE LYS A 141 9.505 2.613 -10.394 1.00 0.00 C ATOM 2090 NZ LYS A 141 10.585 2.171 -11.317 1.00 0.00 N ATOM 0 H LYS A 141 7.874 0.989 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 141 7.969 3.621 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.815 2.159 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.660 0.898 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 141 7.628 2.324 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 141 8.691 3.651 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.668 2.267 -8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 141 9.604 0.941 -9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 141 8.538 2.314 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 141 9.503 3.701 -10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 10.433 2.592 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 11.507 2.478 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 10.571 1.134 -11.396 1.00 0.00 H new ATOM 2104 N VAL A 142 5.719 3.308 -6.515 1.00 0.00 N ATOM 2105 CA VAL A 142 4.379 3.159 -7.070 1.00 0.00 C ATOM 2106 C VAL A 142 4.348 3.542 -8.544 1.00 0.00 C ATOM 2107 O VAL A 142 4.985 4.512 -8.957 1.00 0.00 O ATOM 2108 CB VAL A 142 3.377 4.035 -6.295 1.00 0.00 C ATOM 2109 CG1 VAL A 142 1.998 3.957 -6.932 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.325 3.595 -4.839 1.00 0.00 C ATOM 0 H VAL A 142 6.083 4.260 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 142 4.097 2.110 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 142 3.708 5.073 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.303 4.582 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.053 4.309 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.649 2.924 -6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.615 4.218 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.009 2.553 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.314 3.698 -4.392 1.00 0.00 H new ATOM 2120 N PHE A 143 3.605 2.775 -9.334 1.00 0.00 N ATOM 2121 CA PHE A 143 3.570 2.970 -10.779 1.00 0.00 C ATOM 2122 C PHE A 143 2.192 2.650 -11.344 1.00 0.00 C ATOM 2123 O PHE A 143 1.361 2.040 -10.671 1.00 0.00 O ATOM 2124 CB PHE A 143 4.622 2.095 -11.463 1.00 0.00 C ATOM 2125 CG PHE A 143 4.446 0.625 -11.209 1.00 0.00 C ATOM 2126 CD1 PHE A 143 5.026 0.024 -10.102 1.00 0.00 C ATOM 2127 CD2 PHE A 143 3.700 -0.159 -12.076 1.00 0.00 C ATOM 2128 CE1 PHE A 143 4.866 -1.328 -9.868 1.00 0.00 C ATOM 2129 CE2 PHE A 143 3.537 -1.511 -11.843 1.00 0.00 C ATOM 2130 CZ PHE A 143 4.120 -2.096 -10.739 1.00 0.00 C ATOM 0 H PHE A 143 3.018 2.012 -8.998 1.00 0.00 H new ATOM 0 HA PHE A 143 3.791 4.019 -10.977 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.588 2.275 -12.537 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.611 2.398 -11.120 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.609 0.620 -9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 143 3.241 0.292 -12.943 1.00 0.00 H new ATOM 0 HE1 PHE A 143 5.325 -1.784 -9.003 1.00 0.00 H new ATOM 0 HE2 PHE A 143 2.953 -2.110 -12.526 1.00 0.00 H new ATOM 0 HZ PHE A 143 3.993 -3.153 -10.556 1.00 0.00 H new ATOM 2140 N ASP A 144 1.955 3.066 -12.584 1.00 0.00 N ATOM 2141 CA ASP A 144 0.678 2.820 -13.244 1.00 0.00 C ATOM 2142 C ASP A 144 0.776 1.649 -14.213 1.00 0.00 C ATOM 2143 O ASP A 144 1.836 1.390 -14.785 1.00 0.00 O ATOM 2144 CB ASP A 144 0.212 4.071 -13.992 1.00 0.00 C ATOM 2145 CG ASP A 144 -0.093 5.239 -13.062 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -0.815 5.043 -12.112 1.00 0.00 O ATOM 2147 OD2 ASP A 144 0.399 6.313 -13.309 1.00 0.00 O ATOM 0 H ASP A 144 2.631 3.576 -13.152 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.051 2.571 -12.473 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.982 4.371 -14.703 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -0.680 3.831 -14.570 1.00 0.00 H new ATOM 2152 N GLU A 145 -0.335 0.944 -14.395 1.00 0.00 N ATOM 2153 CA GLU A 145 -0.377 -0.201 -15.296 1.00 0.00 C ATOM 2154 C GLU A 145 -1.485 -0.050 -16.330 1.00 0.00 C ATOM 2155 O GLU A 145 -2.632 0.237 -15.986 1.00 0.00 O ATOM 2156 CB GLU A 145 -0.577 -1.496 -14.504 1.00 0.00 C ATOM 2157 CG GLU A 145 -0.510 -2.764 -15.344 1.00 0.00 C ATOM 2158 CD GLU A 145 -0.875 -3.999 -14.569 1.00 0.00 C ATOM 2159 OE1 GLU A 145 -2.019 -4.135 -14.209 1.00 0.00 O ATOM 2160 OE2 GLU A 145 -0.007 -4.808 -14.336 1.00 0.00 O ATOM 0 H GLU A 145 -1.220 1.146 -13.930 1.00 0.00 H new ATOM 0 HA GLU A 145 0.577 -0.246 -15.821 1.00 0.00 H new ATOM 0 HB2 GLU A 145 0.182 -1.551 -13.724 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -1.545 -1.456 -14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -1.181 -2.665 -16.197 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.498 -2.876 -15.743 1.00 0.00 H new ATOM 2167 N PRO A 146 -1.137 -0.245 -17.597 1.00 0.00 N ATOM 2168 CA PRO A 146 -2.098 -0.109 -18.684 1.00 0.00 C ATOM 2169 C PRO A 146 -2.964 -1.356 -18.813 1.00 0.00 C ATOM 2170 O PRO A 146 -3.956 -1.288 -18.711 1.00 0.00 O ATOM 2171 CB PRO A 146 -1.203 0.085 -19.913 1.00 0.00 C ATOM 2172 CG PRO A 146 0.022 -0.705 -19.602 1.00 0.00 C ATOM 2173 CD PRO A 146 0.231 -0.506 -18.124 1.00 0.00 C ATOM 2174 OXT PRO A 146 -2.455 -2.419 -19.037 1.00 0.00 O ATOM 0 HA PRO A 146 -2.802 0.710 -18.537 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -1.689 -0.274 -20.820 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -0.968 1.137 -20.073 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -0.112 -1.759 -19.846 1.00 0.00 H new ATOM 0 HG3 PRO A 146 0.879 -0.352 -20.176 1.00 0.00 H new ATOM 0 HD2 PRO A 146 0.675 -1.388 -17.662 1.00 0.00 H new ATOM 0 HD3 PRO A 146 0.901 0.330 -17.925 1.00 0.00 H new