USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 379 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 5 GLN : amide:sc= -4.79! C(o=-11!,f=-7.8!) USER MOD Set 1.2: A 15 GLN : amide:sc= -6.3! K(o=-11!,f=-6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 9 SER OG : rot 180:sc= 0.522! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -5.69! K(o=-5.7!,f=-3.3) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -3.37! C(o=-3.4!,f=-10!) USER MOD Single : B 24 ASN : amide:sc= 0.181 K(o=0.18,f=-1.6!) USER MOD Single : B 25 GLN : amide:sc= -2.21! C(o=-2.2!,f=-1.8!) USER MOD Single : B 26 HIS : no HD1:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -25:sc= -0.858 USER MOD Single : B 47 TYR OH : rot 180:sc= -0.8 USER MOD Single : B 48 THR OG1 : rot -72:sc= 1.14 USER MOD Single : B 49 LYS NZ :NH3+ -162:sc= -0.0666 (180deg=-0.759) USER MOD Single : B 51 THR OG1 : rot -36:sc= 0.444 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.331 4.440 2.368 1.00 0.00 N ATOM 2 CA GLY A 1 -8.624 3.617 1.290 1.00 0.00 C ATOM 3 C GLY A 1 -7.184 3.861 1.001 1.00 0.00 C ATOM 4 O GLY A 1 -6.616 4.852 1.415 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.325 4.141 2.437 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.860 4.291 3.283 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.290 5.449 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.728 2.567 1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.172 3.761 0.359 1.00 0.00 H new ATOM 10 N ILE A 2 -6.554 2.968 0.288 1.00 0.00 N ATOM 11 CA ILE A 2 -5.112 3.154 -0.033 1.00 0.00 C ATOM 12 C ILE A 2 -4.961 4.232 -1.106 1.00 0.00 C ATOM 13 O ILE A 2 -4.030 5.010 -1.093 1.00 0.00 O ATOM 14 CB ILE A 2 -4.529 1.829 -0.538 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.019 1.993 -0.774 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.213 1.423 -1.848 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.340 0.628 -1.009 1.00 0.00 C ATOM 0 H ILE A 2 -6.976 2.118 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.575 3.466 0.863 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.700 1.053 0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.851 2.639 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.565 2.485 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.794 0.481 -2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.283 1.303 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.050 2.196 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.273 0.776 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.488 -0.007 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.779 0.149 -1.885 1.00 0.00 H new ATOM 29 N VAL A 3 -5.872 4.282 -2.033 1.00 0.00 N ATOM 30 CA VAL A 3 -5.796 5.302 -3.108 1.00 0.00 C ATOM 31 C VAL A 3 -5.694 6.692 -2.496 1.00 0.00 C ATOM 32 O VAL A 3 -4.992 7.552 -2.987 1.00 0.00 O ATOM 33 CB VAL A 3 -7.070 5.221 -3.940 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.885 6.020 -5.219 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.360 3.761 -4.281 1.00 0.00 C ATOM 0 H VAL A 3 -6.673 3.653 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.919 5.117 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.906 5.632 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.794 5.965 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.677 7.061 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.051 5.609 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.271 3.700 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.527 3.348 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.489 3.191 -3.361 1.00 0.00 H new ATOM 45 N GLU A 4 -6.405 6.922 -1.437 1.00 0.00 N ATOM 46 CA GLU A 4 -6.370 8.267 -0.800 1.00 0.00 C ATOM 47 C GLU A 4 -5.073 8.444 -0.006 1.00 0.00 C ATOM 48 O GLU A 4 -4.613 9.545 0.207 1.00 0.00 O ATOM 49 CB GLU A 4 -7.572 8.415 0.136 1.00 0.00 C ATOM 50 CG GLU A 4 -8.817 7.827 -0.535 1.00 0.00 C ATOM 51 CD GLU A 4 -10.069 8.313 0.197 1.00 0.00 C ATOM 52 OE1 GLU A 4 -10.508 9.415 -0.088 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.567 7.576 1.032 1.00 0.00 O ATOM 0 H GLU A 4 -7.011 6.240 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.412 9.031 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.378 7.903 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.735 9.467 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.855 8.128 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.772 6.738 -0.518 1.00 0.00 H new ATOM 60 N GLN A 5 -4.482 7.373 0.445 1.00 0.00 N ATOM 61 CA GLN A 5 -3.219 7.493 1.235 1.00 0.00 C ATOM 62 C GLN A 5 -2.001 7.415 0.311 1.00 0.00 C ATOM 63 O GLN A 5 -0.957 7.966 0.597 1.00 0.00 O ATOM 64 CB GLN A 5 -3.156 6.349 2.248 1.00 0.00 C ATOM 65 CG GLN A 5 -1.837 6.423 3.025 1.00 0.00 C ATOM 66 CD GLN A 5 -1.953 5.615 4.319 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.060 5.629 5.142 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.027 4.910 4.534 1.00 0.00 N ATOM 0 H GLN A 5 -4.816 6.420 0.302 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.210 8.454 1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.999 6.412 2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.234 5.391 1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.022 6.034 2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.597 7.461 3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.777 4.899 3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.118 4.369 5.394 1.00 0.00 H new ATOM 77 N CYS A 6 -2.117 6.710 -0.780 1.00 0.00 N ATOM 78 CA CYS A 6 -0.965 6.559 -1.713 1.00 0.00 C ATOM 79 C CYS A 6 -1.005 7.622 -2.821 1.00 0.00 C ATOM 80 O CYS A 6 0.021 8.030 -3.328 1.00 0.00 O ATOM 81 CB CYS A 6 -1.061 5.170 -2.350 1.00 0.00 C ATOM 82 SG CYS A 6 -0.420 3.909 -1.222 1.00 0.00 S ATOM 0 H CYS A 6 -2.968 6.228 -1.068 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.034 6.682 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.099 4.949 -2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.498 5.152 -3.283 1.00 0.00 H new ATOM 87 N CYS A 7 -2.172 8.060 -3.221 1.00 0.00 N ATOM 88 CA CYS A 7 -2.255 9.078 -4.319 1.00 0.00 C ATOM 89 C CYS A 7 -2.336 10.483 -3.729 1.00 0.00 C ATOM 90 O CYS A 7 -1.452 11.294 -3.919 1.00 0.00 O ATOM 91 CB CYS A 7 -3.499 8.802 -5.169 1.00 0.00 C ATOM 92 SG CYS A 7 -3.413 9.716 -6.740 1.00 0.00 S ATOM 0 H CYS A 7 -3.069 7.760 -2.838 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.362 9.010 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.581 7.733 -5.367 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.394 9.094 -4.620 1.00 0.00 H new ATOM 97 N THR A 8 -3.377 10.782 -3.008 1.00 0.00 N ATOM 98 CA THR A 8 -3.491 12.129 -2.409 1.00 0.00 C ATOM 99 C THR A 8 -2.269 12.365 -1.529 1.00 0.00 C ATOM 100 O THR A 8 -2.048 13.444 -1.018 1.00 0.00 O ATOM 101 CB THR A 8 -4.765 12.194 -1.567 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.819 11.534 -2.253 1.00 0.00 O ATOM 103 CG2 THR A 8 -5.143 13.647 -1.332 1.00 0.00 C ATOM 0 H THR A 8 -4.152 10.149 -2.810 1.00 0.00 H new ATOM 0 HA THR A 8 -3.540 12.894 -3.184 1.00 0.00 H new ATOM 0 HB THR A 8 -4.593 11.705 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.636 11.574 -1.713 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.052 13.694 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.334 14.153 -0.806 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.315 14.138 -2.290 1.00 0.00 H new ATOM 111 N SER A 9 -1.477 11.346 -1.349 1.00 0.00 N ATOM 112 CA SER A 9 -0.264 11.477 -0.506 1.00 0.00 C ATOM 113 C SER A 9 0.746 10.413 -0.904 1.00 0.00 C ATOM 114 O SER A 9 0.829 10.002 -2.045 1.00 0.00 O ATOM 115 CB SER A 9 -0.639 11.269 0.954 1.00 0.00 C ATOM 116 OG SER A 9 0.510 11.453 1.769 1.00 0.00 O ATOM 0 H SER A 9 -1.622 10.421 -1.755 1.00 0.00 H new ATOM 0 HA SER A 9 0.165 12.469 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.420 11.972 1.244 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.043 10.267 1.098 1.00 0.00 H new ATOM 0 HG SER A 9 0.269 11.321 2.710 1.00 0.00 H new ATOM 122 N ILE A 10 1.519 9.974 0.043 1.00 0.00 N ATOM 123 CA ILE A 10 2.553 8.943 -0.214 1.00 0.00 C ATOM 124 C ILE A 10 2.418 7.848 0.849 1.00 0.00 C ATOM 125 O ILE A 10 2.088 8.128 1.984 1.00 0.00 O ATOM 126 CB ILE A 10 3.901 9.622 -0.076 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.001 10.787 -1.062 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.028 8.626 -0.347 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.274 11.600 -0.783 1.00 0.00 C ATOM 0 H ILE A 10 1.475 10.296 1.010 1.00 0.00 H new ATOM 0 HA ILE A 10 2.446 8.500 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 10 3.998 9.999 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.017 10.409 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.123 11.427 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.990 9.128 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.969 7.806 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.930 8.233 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.339 12.428 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.240 11.992 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.148 10.958 -0.896 1.00 0.00 H new ATOM 141 N CYS A 11 2.663 6.605 0.497 1.00 0.00 N ATOM 142 CA CYS A 11 2.541 5.490 1.499 1.00 0.00 C ATOM 143 C CYS A 11 3.903 4.827 1.715 1.00 0.00 C ATOM 144 O CYS A 11 4.765 4.844 0.859 1.00 0.00 O ATOM 145 CB CYS A 11 1.535 4.440 0.985 1.00 0.00 C ATOM 146 SG CYS A 11 1.474 4.480 -0.819 1.00 0.00 S ATOM 0 H CYS A 11 2.942 6.313 -0.440 1.00 0.00 H new ATOM 0 HA CYS A 11 2.189 5.901 2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.827 3.447 1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.545 4.640 1.396 1.00 0.00 H new ATOM 151 N SER A 12 4.086 4.224 2.861 1.00 0.00 N ATOM 152 CA SER A 12 5.370 3.528 3.163 1.00 0.00 C ATOM 153 C SER A 12 5.185 2.035 2.907 1.00 0.00 C ATOM 154 O SER A 12 4.103 1.501 3.054 1.00 0.00 O ATOM 155 CB SER A 12 5.740 3.752 4.629 1.00 0.00 C ATOM 156 OG SER A 12 6.193 5.089 4.800 1.00 0.00 O ATOM 0 H SER A 12 3.392 4.184 3.608 1.00 0.00 H new ATOM 0 HA SER A 12 6.166 3.921 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.876 3.564 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.518 3.051 4.931 1.00 0.00 H new ATOM 0 HG SER A 12 6.430 5.237 5.740 1.00 0.00 H new ATOM 162 N LEU A 13 6.228 1.360 2.517 1.00 0.00 N ATOM 163 CA LEU A 13 6.126 -0.097 2.239 1.00 0.00 C ATOM 164 C LEU A 13 5.317 -0.788 3.343 1.00 0.00 C ATOM 165 O LEU A 13 4.610 -1.739 3.098 1.00 0.00 O ATOM 166 CB LEU A 13 7.556 -0.675 2.188 1.00 0.00 C ATOM 167 CG LEU A 13 7.676 -1.765 1.110 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.415 -1.170 -0.292 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.087 -2.363 1.177 1.00 0.00 C ATOM 0 H LEU A 13 7.156 1.760 2.378 1.00 0.00 H new ATOM 0 HA LEU A 13 5.618 -0.265 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.267 0.125 1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.818 -1.091 3.161 1.00 0.00 H new ATOM 0 HG LEU A 13 6.933 -2.542 1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.504 -1.955 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.411 -0.747 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.146 -0.388 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.190 -3.139 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.823 -1.580 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.252 -2.796 2.164 1.00 0.00 H new ATOM 181 N TYR A 14 5.409 -0.324 4.553 1.00 0.00 N ATOM 182 CA TYR A 14 4.635 -0.987 5.639 1.00 0.00 C ATOM 183 C TYR A 14 3.139 -0.806 5.359 1.00 0.00 C ATOM 184 O TYR A 14 2.335 -1.673 5.641 1.00 0.00 O ATOM 185 CB TYR A 14 5.043 -0.385 7.008 1.00 0.00 C ATOM 186 CG TYR A 14 3.921 0.434 7.615 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.007 1.823 7.643 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.808 -0.210 8.155 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.978 2.579 8.218 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.775 0.539 8.727 1.00 0.00 C ATOM 191 CZ TYR A 14 1.860 1.935 8.762 1.00 0.00 C ATOM 192 OH TYR A 14 0.844 2.676 9.329 1.00 0.00 O ATOM 0 H TYR A 14 5.977 0.474 4.838 1.00 0.00 H new ATOM 0 HA TYR A 14 4.852 -2.055 5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.319 -1.188 7.691 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.925 0.243 6.882 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.869 2.318 7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.744 -1.288 8.131 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.047 3.657 8.242 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.912 0.040 9.142 1.00 0.00 H new ATOM 0 HH TYR A 14 0.144 2.074 9.657 1.00 0.00 H new ATOM 202 N GLN A 15 2.762 0.311 4.802 1.00 0.00 N ATOM 203 CA GLN A 15 1.329 0.537 4.503 1.00 0.00 C ATOM 204 C GLN A 15 0.982 -0.224 3.228 1.00 0.00 C ATOM 205 O GLN A 15 -0.129 -0.666 3.037 1.00 0.00 O ATOM 206 CB GLN A 15 1.069 2.027 4.284 1.00 0.00 C ATOM 207 CG GLN A 15 1.666 2.835 5.434 1.00 0.00 C ATOM 208 CD GLN A 15 1.495 4.321 5.137 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.926 5.163 5.900 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.878 4.680 4.046 1.00 0.00 N ATOM 0 H GLN A 15 3.387 1.074 4.543 1.00 0.00 H new ATOM 0 HA GLN A 15 0.718 0.190 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.507 2.346 3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.003 2.212 4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.171 2.579 6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.722 2.594 5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.517 3.971 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.756 5.670 3.831 1.00 0.00 H new ATOM 219 N LEU A 16 1.936 -0.373 2.351 1.00 0.00 N ATOM 220 CA LEU A 16 1.690 -1.099 1.084 1.00 0.00 C ATOM 221 C LEU A 16 1.642 -2.601 1.372 1.00 0.00 C ATOM 222 O LEU A 16 0.721 -3.291 0.982 1.00 0.00 O ATOM 223 CB LEU A 16 2.844 -0.771 0.117 1.00 0.00 C ATOM 224 CG LEU A 16 2.369 -0.767 -1.344 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.254 0.277 -1.548 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.562 -0.457 -2.274 1.00 0.00 C ATOM 0 H LEU A 16 2.885 -0.017 2.464 1.00 0.00 H new ATOM 0 HA LEU A 16 0.742 -0.800 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.264 0.203 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.642 -1.503 0.239 1.00 0.00 H new ATOM 0 HG LEU A 16 1.967 -1.750 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.930 0.265 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.409 0.038 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.633 1.268 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.224 -0.454 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.974 0.521 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.331 -1.218 -2.145 1.00 0.00 H new ATOM 238 N GLU A 17 2.623 -3.107 2.065 1.00 0.00 N ATOM 239 CA GLU A 17 2.625 -4.561 2.392 1.00 0.00 C ATOM 240 C GLU A 17 1.378 -4.861 3.215 1.00 0.00 C ATOM 241 O GLU A 17 0.873 -5.966 3.243 1.00 0.00 O ATOM 242 CB GLU A 17 3.864 -4.899 3.230 1.00 0.00 C ATOM 243 CG GLU A 17 5.141 -4.548 2.453 1.00 0.00 C ATOM 244 CD GLU A 17 6.298 -4.312 3.430 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.469 -3.181 3.854 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.993 -5.267 3.736 1.00 0.00 O ATOM 0 H GLU A 17 3.421 -2.579 2.418 1.00 0.00 H new ATOM 0 HA GLU A 17 2.637 -5.151 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.838 -4.347 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.863 -5.959 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.393 -5.356 1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.976 -3.656 1.849 1.00 0.00 H new ATOM 253 N ASN A 18 0.898 -3.865 3.895 1.00 0.00 N ATOM 254 CA ASN A 18 -0.308 -4.024 4.753 1.00 0.00 C ATOM 255 C ASN A 18 -1.521 -4.435 3.894 1.00 0.00 C ATOM 256 O ASN A 18 -2.360 -5.197 4.331 1.00 0.00 O ATOM 257 CB ASN A 18 -0.555 -2.674 5.461 1.00 0.00 C ATOM 258 CG ASN A 18 -0.105 -2.725 6.914 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.313 -3.709 7.595 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.509 -1.699 7.419 1.00 0.00 N ATOM 0 H ASN A 18 1.297 -2.926 3.894 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.158 -4.809 5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.018 -1.883 4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.615 -2.424 5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.819 -1.717 8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.682 -0.874 6.844 1.00 0.00 H new ATOM 267 N TYR A 19 -1.625 -3.951 2.679 1.00 0.00 N ATOM 268 CA TYR A 19 -2.791 -4.344 1.824 1.00 0.00 C ATOM 269 C TYR A 19 -2.494 -5.679 1.148 1.00 0.00 C ATOM 270 O TYR A 19 -3.332 -6.241 0.470 1.00 0.00 O ATOM 271 CB TYR A 19 -3.041 -3.278 0.757 1.00 0.00 C ATOM 272 CG TYR A 19 -3.500 -2.005 1.426 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.830 -1.868 1.844 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.593 -0.965 1.630 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.249 -0.686 2.469 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.009 0.218 2.254 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.338 0.356 2.674 1.00 0.00 C ATOM 278 OH TYR A 19 -4.749 1.521 3.290 1.00 0.00 O ATOM 0 H TYR A 19 -0.962 -3.308 2.246 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.679 -4.437 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.130 -3.096 0.187 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.795 -3.624 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.532 -2.673 1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.568 -1.072 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.274 -0.579 2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.306 1.023 2.411 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.993 2.141 3.355 1.00 0.00 H new ATOM 288 N CYS A 20 -1.307 -6.194 1.331 1.00 0.00 N ATOM 289 CA CYS A 20 -0.942 -7.497 0.706 1.00 0.00 C ATOM 290 C CYS A 20 -1.057 -8.612 1.743 1.00 0.00 C ATOM 291 O CYS A 20 -0.802 -8.416 2.915 1.00 0.00 O ATOM 292 CB CYS A 20 0.489 -7.429 0.183 1.00 0.00 C ATOM 293 SG CYS A 20 1.047 -9.092 -0.251 1.00 0.00 S ATOM 0 H CYS A 20 -0.570 -5.764 1.891 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.620 -7.704 -0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.539 -6.777 -0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.145 -6.999 0.940 1.00 0.00 H new ATOM 298 N ASN A 21 -1.440 -9.782 1.317 1.00 0.00 N ATOM 299 CA ASN A 21 -1.575 -10.914 2.266 1.00 0.00 C ATOM 300 C ASN A 21 -0.183 -11.392 2.688 1.00 0.00 C ATOM 301 O ASN A 21 0.774 -10.690 2.405 1.00 0.00 O ATOM 302 CB ASN A 21 -2.330 -12.049 1.574 1.00 0.00 C ATOM 303 CG ASN A 21 -1.856 -12.169 0.126 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.820 -11.645 -0.232 1.00 0.00 O ATOM 305 ND2 ASN A 21 -2.576 -12.842 -0.727 1.00 0.00 N ATOM 306 OXT ASN A 21 -0.098 -12.452 3.287 1.00 0.00 O ATOM 0 H ASN A 21 -1.666 -10.001 0.347 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.125 -10.598 3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.161 -12.987 2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.403 -11.856 1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.270 -12.929 -1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.446 -13.282 -0.425 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 22 12.052 1.452 0.238 1.00 0.00 N ATOM 315 CA PHE B 22 11.271 1.891 -0.953 1.00 0.00 C ATOM 316 C PHE B 22 11.267 3.423 -1.012 1.00 0.00 C ATOM 317 O PHE B 22 11.487 4.090 -0.020 1.00 0.00 O ATOM 318 CB PHE B 22 9.830 1.357 -0.837 1.00 0.00 C ATOM 319 CG PHE B 22 9.235 1.138 -2.213 1.00 0.00 C ATOM 320 CD1 PHE B 22 8.329 2.065 -2.746 1.00 0.00 C ATOM 321 CD2 PHE B 22 9.589 0.003 -2.952 1.00 0.00 C ATOM 322 CE1 PHE B 22 7.780 1.855 -4.017 1.00 0.00 C ATOM 323 CE2 PHE B 22 9.040 -0.206 -4.222 1.00 0.00 C ATOM 324 CZ PHE B 22 8.135 0.720 -4.755 1.00 0.00 C ATOM 0 HA PHE B 22 11.722 1.500 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE B 22 9.826 0.421 -0.279 1.00 0.00 H new ATOM 0 HB3 PHE B 22 9.217 2.064 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE B 22 8.054 2.941 -2.177 1.00 0.00 H new ATOM 0 HD2 PHE B 22 10.287 -0.712 -2.541 1.00 0.00 H new ATOM 0 HE1 PHE B 22 7.082 2.569 -4.428 1.00 0.00 H new ATOM 0 HE2 PHE B 22 9.314 -1.082 -4.791 1.00 0.00 H new ATOM 0 HZ PHE B 22 7.711 0.558 -5.735 1.00 0.00 H new ATOM 336 N VAL B 23 11.027 3.986 -2.164 1.00 0.00 N ATOM 337 CA VAL B 23 11.019 5.472 -2.277 1.00 0.00 C ATOM 338 C VAL B 23 9.668 6.023 -1.821 1.00 0.00 C ATOM 339 O VAL B 23 8.659 5.349 -1.879 1.00 0.00 O ATOM 340 CB VAL B 23 11.257 5.880 -3.732 1.00 0.00 C ATOM 341 CG1 VAL B 23 10.065 5.443 -4.590 1.00 0.00 C ATOM 342 CG2 VAL B 23 11.407 7.402 -3.809 1.00 0.00 C ATOM 0 H VAL B 23 10.836 3.483 -3.030 1.00 0.00 H new ATOM 0 HA VAL B 23 11.810 5.877 -1.646 1.00 0.00 H new ATOM 0 HB VAL B 23 12.163 5.401 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.236 5.735 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL B 23 9.952 4.360 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL B 23 9.158 5.923 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL B 23 11.577 7.699 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL B 23 10.498 7.876 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL B 23 12.253 7.716 -3.198 1.00 0.00 H new ATOM 352 N ASN B 24 9.644 7.255 -1.385 1.00 0.00 N ATOM 353 CA ASN B 24 8.363 7.883 -0.939 1.00 0.00 C ATOM 354 C ASN B 24 7.837 8.758 -2.082 1.00 0.00 C ATOM 355 O ASN B 24 8.179 9.918 -2.193 1.00 0.00 O ATOM 356 CB ASN B 24 8.605 8.748 0.325 1.00 0.00 C ATOM 357 CG ASN B 24 10.108 8.890 0.594 1.00 0.00 C ATOM 358 OD1 ASN B 24 10.826 9.470 -0.197 1.00 0.00 O ATOM 359 ND2 ASN B 24 10.614 8.381 1.683 1.00 0.00 N ATOM 0 H ASN B 24 10.463 7.859 -1.318 1.00 0.00 H new ATOM 0 HA ASN B 24 7.634 7.112 -0.690 1.00 0.00 H new ATOM 0 HB2 ASN B 24 8.158 9.733 0.191 1.00 0.00 H new ATOM 0 HB3 ASN B 24 8.116 8.291 1.186 1.00 0.00 H new ATOM 0 HD21 ASN B 24 11.613 8.470 1.871 1.00 0.00 H new ATOM 0 HD22 ASN B 24 10.011 7.894 2.346 1.00 0.00 H new ATOM 366 N GLN B 25 7.019 8.202 -2.936 1.00 0.00 N ATOM 367 CA GLN B 25 6.470 8.984 -4.088 1.00 0.00 C ATOM 368 C GLN B 25 4.965 8.746 -4.207 1.00 0.00 C ATOM 369 O GLN B 25 4.474 7.658 -3.980 1.00 0.00 O ATOM 370 CB GLN B 25 7.167 8.523 -5.376 1.00 0.00 C ATOM 371 CG GLN B 25 6.551 9.218 -6.622 1.00 0.00 C ATOM 372 CD GLN B 25 5.834 8.191 -7.502 1.00 0.00 C ATOM 373 OE1 GLN B 25 4.654 8.306 -7.759 1.00 0.00 O ATOM 374 NE2 GLN B 25 6.512 7.186 -7.975 1.00 0.00 N ATOM 0 H GLN B 25 6.704 7.233 -2.886 1.00 0.00 H new ATOM 0 HA GLN B 25 6.648 10.047 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN B 25 8.232 8.749 -5.318 1.00 0.00 H new ATOM 0 HB3 GLN B 25 7.076 7.441 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN B 25 5.849 9.990 -6.307 1.00 0.00 H new ATOM 0 HG3 GLN B 25 7.334 9.714 -7.195 1.00 0.00 H new ATOM 0 HE21 GLN B 25 7.504 7.092 -7.757 1.00 0.00 H new ATOM 0 HE22 GLN B 25 6.051 6.492 -8.564 1.00 0.00 H new ATOM 383 N HIS B 26 4.230 9.767 -4.554 1.00 0.00 N ATOM 384 CA HIS B 26 2.759 9.627 -4.683 1.00 0.00 C ATOM 385 C HIS B 26 2.410 8.727 -5.863 1.00 0.00 C ATOM 386 O HIS B 26 2.569 9.096 -7.009 1.00 0.00 O ATOM 387 CB HIS B 26 2.165 11.011 -4.919 1.00 0.00 C ATOM 388 CG HIS B 26 2.816 11.976 -3.987 1.00 0.00 C ATOM 389 ND1 HIS B 26 4.167 12.279 -4.033 1.00 0.00 N ATOM 390 CD2 HIS B 26 2.310 12.686 -2.952 1.00 0.00 C ATOM 391 CE1 HIS B 26 4.413 13.142 -3.032 1.00 0.00 C ATOM 392 NE2 HIS B 26 3.311 13.426 -2.350 1.00 0.00 N ATOM 0 H HIS B 26 4.593 10.699 -4.755 1.00 0.00 H new ATOM 0 HA HIS B 26 2.356 9.182 -3.773 1.00 0.00 H new ATOM 0 HB2 HIS B 26 2.323 11.319 -5.953 1.00 0.00 H new ATOM 0 HB3 HIS B 26 1.088 10.993 -4.753 1.00 0.00 H new ATOM 0 HD2 HIS B 26 1.276 12.676 -2.642 1.00 0.00 H new ATOM 0 HE1 HIS B 26 5.387 13.553 -2.811 1.00 0.00 H new ATOM 0 HE2 HIS B 26 3.221 14.055 -1.552 1.00 0.00 H new ATOM 401 N LEU B 27 1.918 7.552 -5.590 1.00 0.00 N ATOM 402 CA LEU B 27 1.541 6.624 -6.687 1.00 0.00 C ATOM 403 C LEU B 27 0.063 6.811 -7.022 1.00 0.00 C ATOM 404 O LEU B 27 -0.745 7.120 -6.170 1.00 0.00 O ATOM 405 CB LEU B 27 1.755 5.181 -6.241 1.00 0.00 C ATOM 406 CG LEU B 27 3.121 5.019 -5.560 1.00 0.00 C ATOM 407 CD1 LEU B 27 3.150 3.696 -4.799 1.00 0.00 C ATOM 408 CD2 LEU B 27 4.222 5.015 -6.618 1.00 0.00 C ATOM 0 H LEU B 27 1.760 7.194 -4.648 1.00 0.00 H new ATOM 0 HA LEU B 27 2.158 6.838 -7.560 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.963 4.887 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU B 27 1.692 4.516 -7.102 1.00 0.00 H new ATOM 0 HG LEU B 27 3.283 5.846 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU B 27 4.119 3.577 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU B 27 2.363 3.693 -4.045 1.00 0.00 H new ATOM 0 HD13 LEU B 27 2.989 2.872 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU B 27 5.192 4.900 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU B 27 4.061 4.187 -7.308 1.00 0.00 H new ATOM 0 HD23 LEU B 27 4.201 5.955 -7.169 1.00 0.00 H new ATOM 420 N CYS B 28 -0.292 6.599 -8.251 1.00 0.00 N ATOM 421 CA CYS B 28 -1.712 6.736 -8.668 1.00 0.00 C ATOM 422 C CYS B 28 -1.927 5.879 -9.914 1.00 0.00 C ATOM 423 O CYS B 28 -1.024 5.207 -10.372 1.00 0.00 O ATOM 424 CB CYS B 28 -2.018 8.200 -8.988 1.00 0.00 C ATOM 425 SG CYS B 28 -1.622 9.236 -7.554 1.00 0.00 S ATOM 0 H CYS B 28 0.349 6.332 -8.998 1.00 0.00 H new ATOM 0 HA CYS B 28 -2.374 6.409 -7.866 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -1.438 8.522 -9.853 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -3.070 8.313 -9.250 1.00 0.00 H new ATOM 430 N GLY B 29 -3.104 5.884 -10.471 1.00 0.00 N ATOM 431 CA GLY B 29 -3.339 5.052 -11.685 1.00 0.00 C ATOM 432 C GLY B 29 -2.884 3.622 -11.404 1.00 0.00 C ATOM 433 O GLY B 29 -3.038 3.115 -10.311 1.00 0.00 O ATOM 0 H GLY B 29 -3.907 6.421 -10.144 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -4.396 5.065 -11.952 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -2.791 5.461 -12.534 1.00 0.00 H new ATOM 437 N SER B 30 -2.324 2.968 -12.380 1.00 0.00 N ATOM 438 CA SER B 30 -1.859 1.568 -12.163 1.00 0.00 C ATOM 439 C SER B 30 -0.519 1.575 -11.418 1.00 0.00 C ATOM 440 O SER B 30 -0.123 0.585 -10.838 1.00 0.00 O ATOM 441 CB SER B 30 -1.700 0.860 -13.510 1.00 0.00 C ATOM 442 OG SER B 30 -2.759 1.252 -14.374 1.00 0.00 O ATOM 0 H SER B 30 -2.167 3.339 -13.317 1.00 0.00 H new ATOM 0 HA SER B 30 -2.598 1.035 -11.564 1.00 0.00 H new ATOM 0 HB2 SER B 30 -0.738 1.114 -13.956 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.711 -0.221 -13.369 1.00 0.00 H new ATOM 0 HG SER B 30 -2.659 0.802 -15.239 1.00 0.00 H new ATOM 448 N ASP B 31 0.181 2.684 -11.419 1.00 0.00 N ATOM 449 CA ASP B 31 1.490 2.740 -10.695 1.00 0.00 C ATOM 450 C ASP B 31 1.302 2.148 -9.301 1.00 0.00 C ATOM 451 O ASP B 31 1.938 1.184 -8.923 1.00 0.00 O ATOM 452 CB ASP B 31 1.946 4.197 -10.561 1.00 0.00 C ATOM 453 CG ASP B 31 1.875 4.883 -11.926 1.00 0.00 C ATOM 454 OD1 ASP B 31 2.301 4.277 -12.895 1.00 0.00 O ATOM 455 OD2 ASP B 31 1.395 6.004 -11.980 1.00 0.00 O ATOM 0 H ASP B 31 -0.095 3.547 -11.887 1.00 0.00 H new ATOM 0 HA ASP B 31 2.241 2.177 -11.249 1.00 0.00 H new ATOM 0 HB2 ASP B 31 1.314 4.722 -9.845 1.00 0.00 H new ATOM 0 HB3 ASP B 31 2.965 4.236 -10.175 1.00 0.00 H new ATOM 460 N LEU B 32 0.410 2.718 -8.547 1.00 0.00 N ATOM 461 CA LEU B 32 0.129 2.209 -7.180 1.00 0.00 C ATOM 462 C LEU B 32 -0.076 0.697 -7.242 1.00 0.00 C ATOM 463 O LEU B 32 0.597 -0.059 -6.570 1.00 0.00 O ATOM 464 CB LEU B 32 -1.147 2.889 -6.691 1.00 0.00 C ATOM 465 CG LEU B 32 -1.638 2.255 -5.394 1.00 0.00 C ATOM 466 CD1 LEU B 32 -0.501 2.208 -4.367 1.00 0.00 C ATOM 467 CD2 LEU B 32 -2.784 3.105 -4.857 1.00 0.00 C ATOM 0 H LEU B 32 -0.145 3.528 -8.824 1.00 0.00 H new ATOM 0 HA LEU B 32 0.956 2.423 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.960 3.951 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.921 2.811 -7.454 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.976 1.235 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.862 1.753 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU B 32 0.324 1.616 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.155 3.221 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.154 2.672 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.428 4.118 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -3.590 3.134 -5.590 1.00 0.00 H new ATOM 479 N VAL B 33 -0.993 0.247 -8.054 1.00 0.00 N ATOM 480 CA VAL B 33 -1.227 -1.217 -8.164 1.00 0.00 C ATOM 481 C VAL B 33 0.096 -1.905 -8.440 1.00 0.00 C ATOM 482 O VAL B 33 0.527 -2.774 -7.708 1.00 0.00 O ATOM 483 CB VAL B 33 -2.164 -1.508 -9.341 1.00 0.00 C ATOM 484 CG1 VAL B 33 -2.069 -2.997 -9.730 1.00 0.00 C ATOM 485 CG2 VAL B 33 -3.593 -1.167 -8.940 1.00 0.00 C ATOM 0 H VAL B 33 -1.588 0.829 -8.644 1.00 0.00 H new ATOM 0 HA VAL B 33 -1.670 -1.578 -7.236 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.872 -0.901 -10.198 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -2.737 -3.198 -10.567 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -1.045 -3.233 -10.019 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -2.358 -3.614 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -4.264 -1.372 -9.774 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.885 -1.773 -8.082 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -3.655 -0.111 -8.676 1.00 0.00 H new ATOM 495 N GLU B 34 0.719 -1.532 -9.522 1.00 0.00 N ATOM 496 CA GLU B 34 1.999 -2.153 -9.911 1.00 0.00 C ATOM 497 C GLU B 34 2.870 -2.312 -8.667 1.00 0.00 C ATOM 498 O GLU B 34 3.493 -3.332 -8.459 1.00 0.00 O ATOM 499 CB GLU B 34 2.683 -1.251 -10.942 1.00 0.00 C ATOM 500 CG GLU B 34 2.249 -1.642 -12.360 1.00 0.00 C ATOM 501 CD GLU B 34 2.967 -0.754 -13.378 1.00 0.00 C ATOM 502 OE1 GLU B 34 4.168 -0.911 -13.528 1.00 0.00 O ATOM 503 OE2 GLU B 34 2.305 0.067 -13.990 1.00 0.00 O ATOM 0 H GLU B 34 0.383 -0.810 -10.159 1.00 0.00 H new ATOM 0 HA GLU B 34 1.837 -3.137 -10.351 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.428 -0.209 -10.750 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.766 -1.336 -10.849 1.00 0.00 H new ATOM 0 HG2 GLU B 34 2.483 -2.690 -12.547 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.169 -1.533 -12.464 1.00 0.00 H new ATOM 510 N ALA B 35 2.884 -1.320 -7.822 1.00 0.00 N ATOM 511 CA ALA B 35 3.681 -1.433 -6.579 1.00 0.00 C ATOM 512 C ALA B 35 3.191 -2.660 -5.820 1.00 0.00 C ATOM 513 O ALA B 35 3.925 -3.592 -5.606 1.00 0.00 O ATOM 514 CB ALA B 35 3.490 -0.173 -5.735 1.00 0.00 C ATOM 0 H ALA B 35 2.379 -0.442 -7.941 1.00 0.00 H new ATOM 0 HA ALA B 35 4.742 -1.536 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA B 35 4.076 -0.256 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA B 35 3.821 0.698 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA B 35 2.436 -0.061 -5.481 1.00 0.00 H new ATOM 520 N LEU B 36 1.945 -2.696 -5.441 1.00 0.00 N ATOM 521 CA LEU B 36 1.441 -3.904 -4.732 1.00 0.00 C ATOM 522 C LEU B 36 1.803 -5.128 -5.562 1.00 0.00 C ATOM 523 O LEU B 36 2.339 -6.097 -5.065 1.00 0.00 O ATOM 524 CB LEU B 36 -0.079 -3.833 -4.589 1.00 0.00 C ATOM 525 CG LEU B 36 -0.468 -2.691 -3.634 1.00 0.00 C ATOM 526 CD1 LEU B 36 -1.904 -2.257 -3.915 1.00 0.00 C ATOM 527 CD2 LEU B 36 -0.387 -3.172 -2.184 1.00 0.00 C ATOM 0 H LEU B 36 1.262 -1.953 -5.588 1.00 0.00 H new ATOM 0 HA LEU B 36 1.888 -3.962 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.537 -3.673 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.461 -4.781 -4.210 1.00 0.00 H new ATOM 0 HG LEU B 36 0.217 -1.858 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -2.179 -1.448 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -1.984 -1.911 -4.945 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -2.576 -3.102 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -0.664 -2.358 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.070 -4.009 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.631 -3.493 -1.963 1.00 0.00 H new ATOM 539 N TYR B 37 1.537 -5.076 -6.836 1.00 0.00 N ATOM 540 CA TYR B 37 1.892 -6.219 -7.709 1.00 0.00 C ATOM 541 C TYR B 37 3.385 -6.499 -7.517 1.00 0.00 C ATOM 542 O TYR B 37 3.857 -7.602 -7.697 1.00 0.00 O ATOM 543 CB TYR B 37 1.595 -5.848 -9.167 1.00 0.00 C ATOM 544 CG TYR B 37 1.545 -7.097 -10.013 1.00 0.00 C ATOM 545 CD1 TYR B 37 0.322 -7.738 -10.244 1.00 0.00 C ATOM 546 CD2 TYR B 37 2.722 -7.614 -10.567 1.00 0.00 C ATOM 547 CE1 TYR B 37 0.276 -8.896 -11.030 1.00 0.00 C ATOM 548 CE2 TYR B 37 2.676 -8.772 -11.352 1.00 0.00 C ATOM 549 CZ TYR B 37 1.453 -9.413 -11.584 1.00 0.00 C ATOM 550 OH TYR B 37 1.408 -10.555 -12.358 1.00 0.00 O ATOM 0 H TYR B 37 1.089 -4.290 -7.307 1.00 0.00 H new ATOM 0 HA TYR B 37 1.313 -7.107 -7.457 1.00 0.00 H new ATOM 0 HB2 TYR B 37 0.645 -5.317 -9.230 1.00 0.00 H new ATOM 0 HB3 TYR B 37 2.364 -5.173 -9.544 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -0.586 -7.339 -9.816 1.00 0.00 H new ATOM 0 HD2 TYR B 37 3.665 -7.119 -10.389 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.668 -9.390 -11.209 1.00 0.00 H new ATOM 0 HE2 TYR B 37 3.584 -9.171 -11.779 1.00 0.00 H new ATOM 0 HH TYR B 37 2.312 -10.778 -12.665 1.00 0.00 H new ATOM 560 N LEU B 38 4.118 -5.491 -7.123 1.00 0.00 N ATOM 561 CA LEU B 38 5.575 -5.648 -6.874 1.00 0.00 C ATOM 562 C LEU B 38 5.761 -6.167 -5.440 1.00 0.00 C ATOM 563 O LEU B 38 6.255 -7.253 -5.211 1.00 0.00 O ATOM 564 CB LEU B 38 6.223 -4.262 -7.030 1.00 0.00 C ATOM 565 CG LEU B 38 7.692 -4.371 -7.448 1.00 0.00 C ATOM 566 CD1 LEU B 38 7.799 -4.606 -8.957 1.00 0.00 C ATOM 567 CD2 LEU B 38 8.387 -3.055 -7.103 1.00 0.00 C ATOM 0 H LEU B 38 3.759 -4.550 -6.961 1.00 0.00 H new ATOM 0 HA LEU B 38 6.034 -6.349 -7.571 1.00 0.00 H new ATOM 0 HB2 LEU B 38 5.674 -3.685 -7.774 1.00 0.00 H new ATOM 0 HB3 LEU B 38 6.151 -3.718 -6.088 1.00 0.00 H new ATOM 0 HG LEU B 38 8.158 -5.207 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU B 38 8.849 -4.681 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU B 38 7.285 -5.531 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU B 38 7.339 -3.773 -9.488 1.00 0.00 H new ATOM 0 HD21 LEU B 38 9.436 -3.111 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU B 38 7.905 -2.238 -7.640 1.00 0.00 H new ATOM 0 HD23 LEU B 38 8.316 -2.876 -6.030 1.00 0.00 H new ATOM 579 N VAL B 39 5.347 -5.382 -4.482 1.00 0.00 N ATOM 580 CA VAL B 39 5.458 -5.777 -3.052 1.00 0.00 C ATOM 581 C VAL B 39 4.812 -7.146 -2.844 1.00 0.00 C ATOM 582 O VAL B 39 5.432 -8.080 -2.376 1.00 0.00 O ATOM 583 CB VAL B 39 4.711 -4.734 -2.204 1.00 0.00 C ATOM 584 CG1 VAL B 39 4.887 -5.020 -0.716 1.00 0.00 C ATOM 585 CG2 VAL B 39 5.260 -3.347 -2.500 1.00 0.00 C ATOM 0 H VAL B 39 4.928 -4.465 -4.636 1.00 0.00 H new ATOM 0 HA VAL B 39 6.507 -5.828 -2.760 1.00 0.00 H new ATOM 0 HB VAL B 39 3.652 -4.785 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.350 -4.270 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.490 -6.009 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL B 39 5.946 -4.986 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL B 39 4.729 -2.609 -1.898 1.00 0.00 H new ATOM 0 HG22 VAL B 39 6.322 -3.317 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.123 -3.119 -3.557 1.00 0.00 H new ATOM 595 N CYS B 40 3.558 -7.253 -3.168 1.00 0.00 N ATOM 596 CA CYS B 40 2.831 -8.536 -2.973 1.00 0.00 C ATOM 597 C CYS B 40 3.336 -9.598 -3.960 1.00 0.00 C ATOM 598 O CYS B 40 3.298 -10.779 -3.679 1.00 0.00 O ATOM 599 CB CYS B 40 1.330 -8.273 -3.175 1.00 0.00 C ATOM 600 SG CYS B 40 0.343 -9.371 -2.124 1.00 0.00 S ATOM 0 H CYS B 40 2.998 -6.498 -3.564 1.00 0.00 H new ATOM 0 HA CYS B 40 3.007 -8.916 -1.967 1.00 0.00 H new ATOM 0 HB2 CYS B 40 1.102 -7.233 -2.939 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.066 -8.428 -4.221 1.00 0.00 H new ATOM 605 N GLY B 41 3.809 -9.199 -5.106 1.00 0.00 N ATOM 606 CA GLY B 41 4.309 -10.207 -6.084 1.00 0.00 C ATOM 607 C GLY B 41 3.211 -11.235 -6.367 1.00 0.00 C ATOM 608 O GLY B 41 2.075 -10.889 -6.624 1.00 0.00 O ATOM 0 H GLY B 41 3.872 -8.227 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.607 -9.714 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.194 -10.705 -5.688 1.00 0.00 H new ATOM 612 N GLU B 42 3.542 -12.499 -6.328 1.00 0.00 N ATOM 613 CA GLU B 42 2.519 -13.551 -6.600 1.00 0.00 C ATOM 614 C GLU B 42 1.708 -13.835 -5.333 1.00 0.00 C ATOM 615 O GLU B 42 0.760 -14.596 -5.352 1.00 0.00 O ATOM 616 CB GLU B 42 3.219 -14.834 -7.054 1.00 0.00 C ATOM 617 CG GLU B 42 4.380 -15.147 -6.107 1.00 0.00 C ATOM 618 CD GLU B 42 4.917 -16.549 -6.402 1.00 0.00 C ATOM 619 OE1 GLU B 42 5.295 -17.227 -5.461 1.00 0.00 O ATOM 620 OE2 GLU B 42 4.941 -16.920 -7.564 1.00 0.00 O ATOM 0 H GLU B 42 4.477 -12.848 -6.119 1.00 0.00 H new ATOM 0 HA GLU B 42 1.846 -13.201 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.511 -15.663 -7.064 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.588 -14.718 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU B 42 5.173 -14.409 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.045 -15.085 -5.072 1.00 0.00 H new ATOM 627 N ARG B 43 2.067 -13.233 -4.233 1.00 0.00 N ATOM 628 CA ARG B 43 1.308 -13.478 -2.973 1.00 0.00 C ATOM 629 C ARG B 43 -0.162 -13.116 -3.185 1.00 0.00 C ATOM 630 O ARG B 43 -1.056 -13.827 -2.773 1.00 0.00 O ATOM 631 CB ARG B 43 1.881 -12.613 -1.850 1.00 0.00 C ATOM 632 CG ARG B 43 3.371 -12.903 -1.671 1.00 0.00 C ATOM 633 CD ARG B 43 3.975 -11.903 -0.675 1.00 0.00 C ATOM 634 NE ARG B 43 5.450 -11.866 -0.859 1.00 0.00 N ATOM 635 CZ ARG B 43 6.149 -10.891 -0.344 1.00 0.00 C ATOM 636 NH1 ARG B 43 7.443 -10.856 -0.513 1.00 0.00 N ATOM 637 NH2 ARG B 43 5.555 -9.952 0.340 1.00 0.00 N ATOM 0 H ARG B 43 2.850 -12.584 -4.151 1.00 0.00 H new ATOM 0 HA ARG B 43 1.393 -14.530 -2.702 1.00 0.00 H new ATOM 0 HB2 ARG B 43 1.733 -11.558 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG B 43 1.349 -12.813 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG B 43 3.513 -13.922 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG B 43 3.884 -12.831 -2.630 1.00 0.00 H new ATOM 0 HD2 ARG B 43 3.551 -10.911 -0.833 1.00 0.00 H new ATOM 0 HD3 ARG B 43 3.730 -12.195 0.346 1.00 0.00 H new ATOM 0 HE ARG B 43 5.916 -12.603 -1.388 1.00 0.00 H new ATOM 0 HH11 ARG B 43 7.908 -11.590 -1.047 1.00 0.00 H new ATOM 0 HH12 ARG B 43 7.989 -10.094 -0.111 1.00 0.00 H new ATOM 0 HH21 ARG B 43 4.544 -9.979 0.473 1.00 0.00 H new ATOM 0 HH22 ARG B 43 6.102 -9.191 0.742 1.00 0.00 H new ATOM 651 N GLY B 44 -0.410 -12.011 -3.832 1.00 0.00 N ATOM 652 CA GLY B 44 -1.818 -11.572 -4.095 1.00 0.00 C ATOM 653 C GLY B 44 -2.204 -10.442 -3.133 1.00 0.00 C ATOM 654 O GLY B 44 -2.073 -10.566 -1.929 1.00 0.00 O ATOM 0 H GLY B 44 0.308 -11.384 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -1.915 -11.232 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -2.499 -12.414 -3.972 1.00 0.00 H new ATOM 658 N TYR B 45 -2.685 -9.339 -3.661 1.00 0.00 N ATOM 659 CA TYR B 45 -3.095 -8.184 -2.803 1.00 0.00 C ATOM 660 C TYR B 45 -4.554 -7.853 -3.087 1.00 0.00 C ATOM 661 O TYR B 45 -5.178 -8.454 -3.939 1.00 0.00 O ATOM 662 CB TYR B 45 -2.236 -6.958 -3.137 1.00 0.00 C ATOM 663 CG TYR B 45 -2.351 -6.656 -4.609 1.00 0.00 C ATOM 664 CD1 TYR B 45 -3.133 -5.586 -5.056 1.00 0.00 C ATOM 665 CD2 TYR B 45 -1.665 -7.450 -5.525 1.00 0.00 C ATOM 666 CE1 TYR B 45 -3.228 -5.314 -6.423 1.00 0.00 C ATOM 667 CE2 TYR B 45 -1.758 -7.183 -6.895 1.00 0.00 C ATOM 668 CZ TYR B 45 -2.540 -6.113 -7.345 1.00 0.00 C ATOM 669 OH TYR B 45 -2.635 -5.849 -8.696 1.00 0.00 O ATOM 0 H TYR B 45 -2.811 -9.191 -4.662 1.00 0.00 H new ATOM 0 HA TYR B 45 -2.962 -8.447 -1.754 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -2.564 -6.099 -2.551 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.195 -7.146 -2.873 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.663 -4.970 -4.345 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -1.060 -8.274 -5.177 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.832 -4.488 -6.769 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -1.227 -7.801 -7.604 1.00 0.00 H new ATOM 0 HH TYR B 45 -3.476 -5.380 -8.879 1.00 0.00 H new ATOM 679 N PHE B 46 -5.100 -6.895 -2.382 1.00 0.00 N ATOM 680 CA PHE B 46 -6.527 -6.504 -2.605 1.00 0.00 C ATOM 681 C PHE B 46 -6.590 -5.019 -2.958 1.00 0.00 C ATOM 682 O PHE B 46 -6.302 -4.163 -2.145 1.00 0.00 O ATOM 683 CB PHE B 46 -7.331 -6.760 -1.327 1.00 0.00 C ATOM 684 CG PHE B 46 -6.846 -8.034 -0.672 1.00 0.00 C ATOM 685 CD1 PHE B 46 -6.477 -8.035 0.681 1.00 0.00 C ATOM 686 CD2 PHE B 46 -6.768 -9.217 -1.418 1.00 0.00 C ATOM 687 CE1 PHE B 46 -6.031 -9.217 1.284 1.00 0.00 C ATOM 688 CE2 PHE B 46 -6.322 -10.398 -0.814 1.00 0.00 C ATOM 689 CZ PHE B 46 -5.953 -10.399 0.537 1.00 0.00 C ATOM 0 H PHE B 46 -4.617 -6.364 -1.658 1.00 0.00 H new ATOM 0 HA PHE B 46 -6.947 -7.093 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -7.220 -5.921 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -8.392 -6.841 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -6.537 -7.124 1.258 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -7.052 -9.218 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -5.747 -9.217 2.326 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -6.262 -11.309 -1.390 1.00 0.00 H new ATOM 0 HZ PHE B 46 -5.609 -11.311 1.002 1.00 0.00 H new ATOM 699 N TYR B 47 -6.980 -4.715 -4.165 1.00 0.00 N ATOM 700 CA TYR B 47 -7.090 -3.290 -4.601 1.00 0.00 C ATOM 701 C TYR B 47 -8.455 -3.079 -5.259 1.00 0.00 C ATOM 702 O TYR B 47 -8.691 -3.534 -6.358 1.00 0.00 O ATOM 703 CB TYR B 47 -5.989 -2.984 -5.618 1.00 0.00 C ATOM 704 CG TYR B 47 -6.042 -1.521 -5.976 1.00 0.00 C ATOM 705 CD1 TYR B 47 -5.399 -0.580 -5.165 1.00 0.00 C ATOM 706 CD2 TYR B 47 -6.745 -1.102 -7.113 1.00 0.00 C ATOM 707 CE1 TYR B 47 -5.457 0.776 -5.488 1.00 0.00 C ATOM 708 CE2 TYR B 47 -6.801 0.258 -7.438 1.00 0.00 C ATOM 709 CZ TYR B 47 -6.157 1.198 -6.625 1.00 0.00 C ATOM 710 OH TYR B 47 -6.213 2.540 -6.942 1.00 0.00 O ATOM 0 H TYR B 47 -7.231 -5.400 -4.878 1.00 0.00 H new ATOM 0 HA TYR B 47 -6.984 -2.630 -3.740 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -5.013 -3.234 -5.202 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -6.121 -3.595 -6.511 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -4.857 -0.903 -4.288 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -7.243 -1.828 -7.738 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -4.961 1.501 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -7.341 0.582 -8.316 1.00 0.00 H new ATOM 0 HH TYR B 47 -6.737 2.661 -7.761 1.00 0.00 H new ATOM 720 N THR B 48 -9.350 -2.392 -4.598 1.00 0.00 N ATOM 721 CA THR B 48 -10.705 -2.147 -5.182 1.00 0.00 C ATOM 722 C THR B 48 -11.635 -1.606 -4.098 1.00 0.00 C ATOM 723 O THR B 48 -12.486 -2.309 -3.591 1.00 0.00 O ATOM 724 CB THR B 48 -11.300 -3.455 -5.721 1.00 0.00 C ATOM 725 OG1 THR B 48 -12.717 -3.347 -5.730 1.00 0.00 O ATOM 726 CG2 THR B 48 -10.890 -4.641 -4.831 1.00 0.00 C ATOM 0 H THR B 48 -9.201 -1.987 -3.674 1.00 0.00 H new ATOM 0 HA THR B 48 -10.607 -1.428 -5.995 1.00 0.00 H new ATOM 0 HB THR B 48 -10.925 -3.627 -6.730 1.00 0.00 H new ATOM 0 HG1 THR B 48 -13.054 -3.383 -4.810 1.00 0.00 H new ATOM 0 HG21 THR B 48 -11.321 -5.560 -5.228 1.00 0.00 H new ATOM 0 HG22 THR B 48 -9.803 -4.726 -4.816 1.00 0.00 H new ATOM 0 HG23 THR B 48 -11.255 -4.478 -3.817 1.00 0.00 H new ATOM 734 N LYS B 49 -11.481 -0.365 -3.739 1.00 0.00 N ATOM 735 CA LYS B 49 -12.351 0.231 -2.689 1.00 0.00 C ATOM 736 C LYS B 49 -12.661 1.684 -3.050 1.00 0.00 C ATOM 737 O LYS B 49 -12.504 2.574 -2.240 1.00 0.00 O ATOM 738 CB LYS B 49 -11.622 0.175 -1.347 1.00 0.00 C ATOM 739 CG LYS B 49 -12.624 0.387 -0.218 1.00 0.00 C ATOM 740 CD LYS B 49 -11.915 0.264 1.133 1.00 0.00 C ATOM 741 CE LYS B 49 -12.956 0.106 2.244 1.00 0.00 C ATOM 742 NZ LYS B 49 -14.142 0.955 1.938 1.00 0.00 N ATOM 0 H LYS B 49 -10.784 0.268 -4.131 1.00 0.00 H new ATOM 0 HA LYS B 49 -13.285 -0.327 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -11.125 -0.788 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -10.847 0.941 -1.309 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -13.086 1.370 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -13.425 -0.349 -0.287 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.242 -0.594 1.126 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.303 1.147 1.316 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -13.256 -0.938 2.330 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -12.526 0.395 3.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -14.702 1.093 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -13.825 1.878 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -14.728 0.487 1.217 1.00 0.00 H new ATOM 756 N PRO B 50 -13.108 1.916 -4.260 1.00 0.00 N ATOM 757 CA PRO B 50 -13.468 3.265 -4.756 1.00 0.00 C ATOM 758 C PRO B 50 -13.954 4.198 -3.634 1.00 0.00 C ATOM 759 O PRO B 50 -15.090 4.133 -3.209 1.00 0.00 O ATOM 760 CB PRO B 50 -14.600 2.969 -5.764 1.00 0.00 C ATOM 761 CG PRO B 50 -14.513 1.492 -6.092 1.00 0.00 C ATOM 762 CD PRO B 50 -13.323 0.921 -5.314 1.00 0.00 C ATOM 0 HA PRO B 50 -12.617 3.788 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -15.573 3.214 -5.337 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -14.485 3.573 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -15.435 0.982 -5.813 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -14.378 1.344 -7.163 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -13.546 -0.063 -4.901 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -12.443 0.808 -5.948 1.00 0.00 H new ATOM 770 N THR B 51 -13.102 5.064 -3.156 1.00 0.00 N ATOM 771 CA THR B 51 -13.519 5.995 -2.069 1.00 0.00 C ATOM 772 C THR B 51 -12.522 7.152 -1.976 1.00 0.00 C ATOM 773 O THR B 51 -12.764 8.055 -1.192 1.00 0.00 O ATOM 774 CB THR B 51 -13.559 5.240 -0.736 1.00 0.00 C ATOM 775 OG1 THR B 51 -14.128 6.077 0.261 1.00 0.00 O ATOM 776 CG2 THR B 51 -12.141 4.842 -0.320 1.00 0.00 C ATOM 777 OXT THR B 51 -11.534 7.116 -2.692 1.00 0.00 O ATOM 0 H THR B 51 -12.137 5.167 -3.470 1.00 0.00 H new ATOM 0 HA THR B 51 -14.510 6.390 -2.290 1.00 0.00 H new ATOM 0 HB THR B 51 -14.164 4.340 -0.850 1.00 0.00 H new ATOM 0 HG1 THR B 51 -13.845 7.003 0.111 1.00 0.00 H new ATOM 0 HG21 THR B 51 -12.177 4.306 0.628 1.00 0.00 H new ATOM 0 HG22 THR B 51 -11.705 4.199 -1.084 1.00 0.00 H new ATOM 0 HG23 THR B 51 -11.530 5.738 -0.207 1.00 0.00 H new TER 785 THR B 51