USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 419 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 36 CYS SG : rot -168:sc=0.000739 USER MOD Set 1.2: A 41 ASN : amide:sc= -1.97 K(o=-2,f=-5.8!) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.25 K(o=-1.5,f=-0.018) USER MOD Set 2.2: A 24 THR OG1 : rot -130:sc= -0.263 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= -0.0829 USER MOD Set 3.2: A 10 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 7 CYS SG : rot 81:sc= -0.578 USER MOD Set 4.2: A 43 CYS SG : rot -6:sc= 1.47 USER MOD Set 5.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 15 LYS NZ :NH3+ -129:sc= 0.477 (180deg=0) USER MOD Set 5.3: A 40 ASN : amide:sc= -0.125 K(o=0.35,f=-13!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 30:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 148:sc= 0.321 (180deg=-0.183) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0324) USER MOD Single : A 12 ASN : amide:sc= -0.942 X(o=-0.94,f=-0.78) USER MOD Single : A 14 CYS SG : rot -130:sc= -0.299 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.318 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 147:sc= -0.0991 (180deg=-0.712) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.191) USER MOD Single : A 28 CYS SG : rot -171:sc= -1.19! USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= -1.87 (180deg=-5.52!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 50 ASN : amide:sc= -0.364 X(o=-0.36,f=0) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 -13.017 2.199 -1.409 1.00 0.00 N ATOM 12 CA LYS A 2 -11.761 1.462 -1.481 1.00 0.00 C ATOM 13 C LYS A 2 -10.657 2.325 -2.081 1.00 0.00 C ATOM 14 O LYS A 2 -10.913 3.426 -2.571 1.00 0.00 O ATOM 15 CB LYS A 2 -11.939 0.191 -2.315 1.00 0.00 C ATOM 16 CG LYS A 2 -12.758 -0.883 -1.620 1.00 0.00 C ATOM 17 CD LYS A 2 -14.195 -0.895 -2.112 1.00 0.00 C ATOM 18 CE LYS A 2 -14.970 -2.074 -1.542 1.00 0.00 C ATOM 19 NZ LYS A 2 -14.831 -3.289 -2.392 1.00 0.00 N ATOM 0 HA LYS A 2 -11.472 1.187 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.420 0.450 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.957 -0.214 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.304 -1.858 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.743 -0.714 -0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.686 0.036 -1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.207 -0.942 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.613 -2.292 -0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.024 -1.809 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.373 -4.071 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.195 -3.089 -3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.828 -3.557 -2.454 1.00 0.00 H new ATOM 33 N TYR A 3 -9.429 1.820 -2.042 1.00 0.00 N ATOM 34 CA TYR A 3 -8.285 2.547 -2.581 1.00 0.00 C ATOM 35 C TYR A 3 -7.301 1.593 -3.252 1.00 0.00 C ATOM 36 O TYR A 3 -7.298 0.392 -2.980 1.00 0.00 O ATOM 37 CB TYR A 3 -7.580 3.326 -1.470 1.00 0.00 C ATOM 38 CG TYR A 3 -8.529 4.043 -0.537 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.240 5.159 -0.959 1.00 0.00 C ATOM 40 CD2 TYR A 3 -8.716 3.602 0.768 1.00 0.00 C ATOM 41 CE1 TYR A 3 -10.108 5.817 -0.108 1.00 0.00 C ATOM 42 CE2 TYR A 3 -9.582 4.253 1.624 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.276 5.360 1.181 1.00 0.00 C ATOM 44 OH TYR A 3 -11.141 6.011 2.031 1.00 0.00 O ATOM 0 H TYR A 3 -9.200 0.910 -1.643 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.652 3.248 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.964 2.638 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.906 4.055 -1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.112 5.519 -1.969 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.175 2.736 1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.652 6.685 -0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -9.715 3.897 2.635 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.866 6.417 1.512 1.00 0.00 H new ATOM 54 N THR A 4 -6.465 2.138 -4.132 1.00 0.00 N ATOM 55 CA THR A 4 -5.477 1.337 -4.843 1.00 0.00 C ATOM 56 C THR A 4 -4.182 2.116 -5.047 1.00 0.00 C ATOM 57 O THR A 4 -4.206 3.312 -5.338 1.00 0.00 O ATOM 58 CB THR A 4 -6.008 0.877 -6.213 1.00 0.00 C ATOM 59 OG1 THR A 4 -5.099 -0.062 -6.800 1.00 0.00 O ATOM 60 CG2 THR A 4 -6.192 2.063 -7.148 1.00 0.00 C ATOM 0 H THR A 4 -6.453 3.130 -4.368 1.00 0.00 H new ATOM 0 HA THR A 4 -5.277 0.460 -4.227 1.00 0.00 H new ATOM 0 HB THR A 4 -6.976 0.400 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.444 -0.351 -7.670 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.568 1.713 -8.110 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.905 2.763 -6.712 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.235 2.564 -7.293 1.00 0.00 H new ATOM 68 N GLY A 5 -3.054 1.431 -4.891 1.00 0.00 N ATOM 69 CA GLY A 5 -1.766 2.076 -5.064 1.00 0.00 C ATOM 70 C GLY A 5 -0.640 1.080 -5.264 1.00 0.00 C ATOM 71 O GLY A 5 -0.882 -0.087 -5.572 1.00 0.00 O ATOM 0 H GLY A 5 -3.009 0.441 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.811 2.746 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.551 2.692 -4.191 1.00 0.00 H new ATOM 75 N LYS A 6 0.594 1.541 -5.092 1.00 0.00 N ATOM 76 CA LYS A 6 1.761 0.683 -5.256 1.00 0.00 C ATOM 77 C LYS A 6 2.874 1.089 -4.296 1.00 0.00 C ATOM 78 O LYS A 6 2.935 2.235 -3.851 1.00 0.00 O ATOM 79 CB LYS A 6 2.268 0.749 -6.698 1.00 0.00 C ATOM 80 CG LYS A 6 1.237 0.316 -7.726 1.00 0.00 C ATOM 81 CD LYS A 6 0.372 1.481 -8.173 1.00 0.00 C ATOM 82 CE LYS A 6 0.817 2.020 -9.525 1.00 0.00 C ATOM 83 NZ LYS A 6 0.352 3.417 -9.745 1.00 0.00 N ATOM 0 H LYS A 6 0.812 2.505 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 6 1.464 -0.341 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.581 1.770 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.151 0.117 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.742 -0.115 -8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.606 -0.465 -7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.668 1.161 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.419 2.277 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.904 1.985 -9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.429 1.379 -10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.675 3.748 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.687 3.447 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.742 4.034 -9.004 1.00 0.00 H new ATOM 97 N CYS A 7 3.753 0.143 -3.982 1.00 0.00 N ATOM 98 CA CYS A 7 4.865 0.404 -3.075 1.00 0.00 C ATOM 99 C CYS A 7 6.198 0.324 -3.812 1.00 0.00 C ATOM 100 O CYS A 7 6.319 -0.363 -4.827 1.00 0.00 O ATOM 101 CB CYS A 7 4.849 -0.594 -1.916 1.00 0.00 C ATOM 102 SG CYS A 7 3.263 -0.698 -1.053 1.00 0.00 S ATOM 0 H CYS A 7 3.717 -0.811 -4.342 1.00 0.00 H new ATOM 0 HA CYS A 7 4.750 1.413 -2.679 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.108 -1.582 -2.297 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.622 -0.316 -1.200 1.00 0.00 H new ATOM 0 HG CYS A 7 2.452 -1.458 -1.727 1.00 0.00 H new ATOM 108 N THR A 8 7.198 1.031 -3.295 1.00 0.00 N ATOM 109 CA THR A 8 8.521 1.044 -3.905 1.00 0.00 C ATOM 110 C THR A 8 9.476 0.116 -3.163 1.00 0.00 C ATOM 111 O THR A 8 9.202 -0.308 -2.040 1.00 0.00 O ATOM 112 CB THR A 8 9.117 2.463 -3.927 1.00 0.00 C ATOM 113 OG1 THR A 8 10.312 2.481 -4.716 1.00 0.00 O ATOM 114 CG2 THR A 8 9.428 2.942 -2.516 1.00 0.00 C ATOM 0 H THR A 8 7.116 1.603 -2.454 1.00 0.00 H new ATOM 0 HA THR A 8 8.400 0.694 -4.930 1.00 0.00 H new ATOM 0 HB THR A 8 8.381 3.135 -4.368 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.684 3.388 -4.726 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.848 3.947 -2.557 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.511 2.956 -1.926 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.147 2.267 -2.053 1.00 0.00 H new ATOM 122 N LYS A 9 10.600 -0.199 -3.798 1.00 0.00 N ATOM 123 CA LYS A 9 11.599 -1.075 -3.198 1.00 0.00 C ATOM 124 C LYS A 9 12.244 -0.415 -1.984 1.00 0.00 C ATOM 125 O LYS A 9 12.716 -1.096 -1.073 1.00 0.00 O ATOM 126 CB LYS A 9 12.673 -1.437 -4.226 1.00 0.00 C ATOM 127 CG LYS A 9 12.113 -1.794 -5.592 1.00 0.00 C ATOM 128 CD LYS A 9 13.129 -2.552 -6.431 1.00 0.00 C ATOM 129 CE LYS A 9 13.408 -3.932 -5.855 1.00 0.00 C ATOM 130 NZ LYS A 9 13.557 -4.959 -6.924 1.00 0.00 N ATOM 0 H LYS A 9 10.842 0.140 -4.729 1.00 0.00 H new ATOM 0 HA LYS A 9 11.097 -1.985 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.360 -0.597 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.255 -2.279 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.215 -2.400 -5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.816 -0.884 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.759 -2.650 -7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.057 -1.983 -6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.317 -3.898 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.595 -4.218 -5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.233 -5.686 -6.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.635 -5.401 -7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.908 -4.507 -7.793 1.00 0.00 H new ATOM 144 N SER A 10 12.260 0.914 -1.977 1.00 0.00 N ATOM 145 CA SER A 10 12.849 1.666 -0.875 1.00 0.00 C ATOM 146 C SER A 10 11.770 2.163 0.081 1.00 0.00 C ATOM 147 O SER A 10 11.989 3.098 0.851 1.00 0.00 O ATOM 148 CB SER A 10 13.656 2.849 -1.412 1.00 0.00 C ATOM 149 OG SER A 10 12.857 3.678 -2.238 1.00 0.00 O ATOM 0 H SER A 10 11.872 1.492 -2.722 1.00 0.00 H new ATOM 0 HA SER A 10 13.515 1.000 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.051 3.432 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.512 2.482 -1.979 1.00 0.00 H new ATOM 0 HG SER A 10 13.395 4.428 -2.567 1.00 0.00 H new ATOM 155 N LYS A 11 10.603 1.530 0.027 1.00 0.00 N ATOM 156 CA LYS A 11 9.488 1.906 0.888 1.00 0.00 C ATOM 157 C LYS A 11 8.274 1.021 0.623 1.00 0.00 C ATOM 158 O LYS A 11 7.678 1.075 -0.452 1.00 0.00 O ATOM 159 CB LYS A 11 9.119 3.374 0.669 1.00 0.00 C ATOM 160 CG LYS A 11 9.237 4.224 1.923 1.00 0.00 C ATOM 161 CD LYS A 11 8.019 4.068 2.819 1.00 0.00 C ATOM 162 CE LYS A 11 8.399 3.516 4.184 1.00 0.00 C ATOM 163 NZ LYS A 11 9.226 4.480 4.962 1.00 0.00 N ATOM 0 H LYS A 11 10.405 0.754 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 11 9.799 1.767 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.764 3.791 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.096 3.431 0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.134 3.939 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.353 5.271 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.528 5.034 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.299 3.402 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.495 3.279 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.950 2.584 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.308 4.152 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.174 4.545 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.775 5.417 4.946 1.00 0.00 H new ATOM 177 N ASN A 12 7.912 0.208 1.610 1.00 0.00 N ATOM 178 CA ASN A 12 6.768 -0.688 1.482 1.00 0.00 C ATOM 179 C ASN A 12 5.509 -0.047 2.059 1.00 0.00 C ATOM 180 O ASN A 12 4.927 -0.554 3.017 1.00 0.00 O ATOM 181 CB ASN A 12 7.050 -2.013 2.192 1.00 0.00 C ATOM 182 CG ASN A 12 5.919 -3.010 2.026 1.00 0.00 C ATOM 183 OD1 ASN A 12 5.493 -3.302 0.909 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.427 -3.538 3.141 1.00 0.00 N ATOM 0 H ASN A 12 8.394 0.151 2.507 1.00 0.00 H new ATOM 0 HA ASN A 12 6.604 -0.879 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.971 -2.444 1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.213 -1.826 3.253 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.665 -4.215 3.092 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.811 -3.267 4.046 1.00 0.00 H new ATOM 191 N GLU A 13 5.095 1.069 1.468 1.00 0.00 N ATOM 192 CA GLU A 13 3.906 1.779 1.924 1.00 0.00 C ATOM 193 C GLU A 13 2.950 2.039 0.763 1.00 0.00 C ATOM 194 O GLU A 13 3.378 2.321 -0.357 1.00 0.00 O ATOM 195 CB GLU A 13 4.296 3.103 2.584 1.00 0.00 C ATOM 196 CG GLU A 13 4.771 4.158 1.599 1.00 0.00 C ATOM 197 CD GLU A 13 5.181 5.448 2.281 1.00 0.00 C ATOM 198 OE1 GLU A 13 5.055 5.532 3.519 1.00 0.00 O ATOM 199 OE2 GLU A 13 5.629 6.375 1.573 1.00 0.00 O ATOM 0 H GLU A 13 5.565 1.501 0.673 1.00 0.00 H new ATOM 0 HA GLU A 13 3.399 1.152 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.439 3.491 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.085 2.917 3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.616 3.767 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.976 4.366 0.883 1.00 0.00 H new ATOM 206 N CYS A 14 1.654 1.942 1.039 1.00 0.00 N ATOM 207 CA CYS A 14 0.636 2.167 0.018 1.00 0.00 C ATOM 208 C CYS A 14 0.384 3.657 -0.181 1.00 0.00 C ATOM 209 O CYS A 14 -0.176 4.325 0.689 1.00 0.00 O ATOM 210 CB CYS A 14 -0.666 1.464 0.404 1.00 0.00 C ATOM 211 SG CYS A 14 -1.879 1.369 -0.933 1.00 0.00 S ATOM 0 H CYS A 14 1.283 1.709 1.960 1.00 0.00 H new ATOM 0 HA CYS A 14 1.001 1.751 -0.921 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.434 0.454 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.113 1.988 1.249 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.032 1.788 -0.503 1.00 0.00 H new ATOM 217 N LYS A 15 0.803 4.174 -1.330 1.00 0.00 N ATOM 218 CA LYS A 15 0.624 5.586 -1.646 1.00 0.00 C ATOM 219 C LYS A 15 -0.712 5.823 -2.344 1.00 0.00 C ATOM 220 O LYS A 15 -0.753 6.158 -3.529 1.00 0.00 O ATOM 221 CB LYS A 15 1.769 6.082 -2.531 1.00 0.00 C ATOM 222 CG LYS A 15 1.983 5.239 -3.776 1.00 0.00 C ATOM 223 CD LYS A 15 2.267 6.104 -4.993 1.00 0.00 C ATOM 224 CE LYS A 15 1.662 5.508 -6.254 1.00 0.00 C ATOM 225 NZ LYS A 15 2.689 5.279 -7.308 1.00 0.00 N ATOM 0 H LYS A 15 1.270 3.635 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 15 0.629 6.145 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.567 7.111 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.690 6.094 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.815 4.553 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.098 4.629 -3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.864 7.104 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.344 6.212 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.174 4.564 -6.011 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.891 6.176 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.370 5.704 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.587 5.716 -7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.828 4.257 -7.441 1.00 0.00 H new ATOM 239 N TYR A 16 -1.801 5.648 -1.604 1.00 0.00 N ATOM 240 CA TYR A 16 -3.137 5.843 -2.152 1.00 0.00 C ATOM 241 C TYR A 16 -3.732 7.167 -1.683 1.00 0.00 C ATOM 242 O TYR A 16 -3.119 7.896 -0.905 1.00 0.00 O ATOM 243 CB TYR A 16 -4.052 4.686 -1.744 1.00 0.00 C ATOM 244 CG TYR A 16 -4.480 4.736 -0.295 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.707 4.148 0.699 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.657 5.370 0.081 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.094 4.189 2.023 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.052 5.419 1.404 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.267 4.826 2.372 1.00 0.00 C ATOM 250 OH TYR A 16 -5.657 4.871 3.690 1.00 0.00 O ATOM 0 H TYR A 16 -1.784 5.371 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.056 5.868 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.939 4.695 -2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.537 3.743 -1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.787 3.650 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.275 5.833 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.482 3.725 2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.969 5.918 1.679 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.505 5.357 3.764 1.00 0.00 H new ATOM 260 N LYS A 17 -4.933 7.471 -2.164 1.00 0.00 N ATOM 261 CA LYS A 17 -5.616 8.705 -1.794 1.00 0.00 C ATOM 262 C LYS A 17 -6.969 8.409 -1.157 1.00 0.00 C ATOM 263 O LYS A 17 -7.696 7.524 -1.606 1.00 0.00 O ATOM 264 CB LYS A 17 -5.802 9.597 -3.023 1.00 0.00 C ATOM 265 CG LYS A 17 -4.593 10.462 -3.337 1.00 0.00 C ATOM 266 CD LYS A 17 -4.470 10.728 -4.828 1.00 0.00 C ATOM 267 CE LYS A 17 -3.204 11.508 -5.151 1.00 0.00 C ATOM 268 NZ LYS A 17 -2.289 10.735 -6.035 1.00 0.00 N ATOM 0 H LYS A 17 -5.454 6.879 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.998 9.228 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.023 8.970 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.668 10.241 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.673 11.409 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.689 9.970 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.464 9.781 -5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.341 11.286 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.470 12.448 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.687 11.761 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.438 11.299 -6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.015 9.850 -5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.773 10.515 -6.929 1.00 0.00 H new ATOM 282 N ASN A 18 -7.303 9.158 -0.110 1.00 0.00 N ATOM 283 CA ASN A 18 -8.570 8.975 0.588 1.00 0.00 C ATOM 284 C ASN A 18 -9.366 10.276 0.618 1.00 0.00 C ATOM 285 O ASN A 18 -8.852 11.339 0.270 1.00 0.00 O ATOM 286 CB ASN A 18 -8.325 8.481 2.014 1.00 0.00 C ATOM 287 CG ASN A 18 -8.071 9.618 2.985 1.00 0.00 C ATOM 288 OD1 ASN A 18 -8.870 9.867 3.888 1.00 0.00 O ATOM 289 ND2 ASN A 18 -6.956 10.315 2.801 1.00 0.00 N ATOM 0 H ASN A 18 -6.713 9.897 0.273 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.149 8.227 0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.188 7.906 2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.470 7.805 2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.733 11.093 3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.323 10.072 2.039 1.00 0.00 H new ATOM 296 N ASP A 19 -10.624 10.184 1.038 1.00 0.00 N ATOM 297 CA ASP A 19 -11.491 11.355 1.116 1.00 0.00 C ATOM 298 C ASP A 19 -11.897 11.824 -0.277 1.00 0.00 C ATOM 299 O ASP A 19 -13.058 11.703 -0.669 1.00 0.00 O ATOM 300 CB ASP A 19 -10.788 12.487 1.865 1.00 0.00 C ATOM 301 CG ASP A 19 -11.764 13.491 2.447 1.00 0.00 C ATOM 302 OD1 ASP A 19 -12.911 13.097 2.744 1.00 0.00 O ATOM 303 OD2 ASP A 19 -11.381 14.669 2.604 1.00 0.00 O ATOM 0 H ASP A 19 -11.065 9.312 1.329 1.00 0.00 H new ATOM 0 HA ASP A 19 -12.392 11.074 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.182 12.066 2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.106 12.999 1.186 1.00 0.00 H new ATOM 308 N ALA A 20 -10.935 12.360 -1.020 1.00 0.00 N ATOM 309 CA ALA A 20 -11.192 12.847 -2.369 1.00 0.00 C ATOM 310 C ALA A 20 -9.904 13.310 -3.041 1.00 0.00 C ATOM 311 O ALA A 20 -9.880 14.336 -3.719 1.00 0.00 O ATOM 312 CB ALA A 20 -12.210 13.978 -2.338 1.00 0.00 C ATOM 0 H ALA A 20 -9.969 12.468 -0.710 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.600 12.022 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.392 14.332 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.143 13.616 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.825 14.798 -1.732 1.00 0.00 H new ATOM 318 N GLY A 21 -8.833 12.546 -2.847 1.00 0.00 N ATOM 319 CA GLY A 21 -7.556 12.896 -3.440 1.00 0.00 C ATOM 320 C GLY A 21 -6.513 13.259 -2.401 1.00 0.00 C ATOM 321 O GLY A 21 -5.463 13.813 -2.728 1.00 0.00 O ATOM 0 H GLY A 21 -8.827 11.692 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.194 12.058 -4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.693 13.736 -4.121 1.00 0.00 H new ATOM 325 N LYS A 22 -6.802 12.947 -1.142 1.00 0.00 N ATOM 326 CA LYS A 22 -5.883 13.242 -0.049 1.00 0.00 C ATOM 327 C LYS A 22 -4.774 12.197 0.026 1.00 0.00 C ATOM 328 O LYS A 22 -5.025 11.034 0.340 1.00 0.00 O ATOM 329 CB LYS A 22 -6.639 13.296 1.280 1.00 0.00 C ATOM 330 CG LYS A 22 -6.470 14.610 2.023 1.00 0.00 C ATOM 331 CD LYS A 22 -5.023 14.843 2.422 1.00 0.00 C ATOM 332 CE LYS A 22 -4.494 16.152 1.857 1.00 0.00 C ATOM 333 NZ LYS A 22 -5.361 17.306 2.223 1.00 0.00 N ATOM 0 H LYS A 22 -7.667 12.489 -0.853 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.429 14.214 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.700 13.128 1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.295 12.481 1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.811 15.432 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.098 14.609 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.941 14.855 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.408 14.017 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.484 16.325 2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.427 16.078 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.775 18.157 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.059 17.469 1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.856 17.100 3.114 1.00 0.00 H new ATOM 347 N ASP A 23 -3.548 12.621 -0.262 1.00 0.00 N ATOM 348 CA ASP A 23 -2.401 11.722 -0.223 1.00 0.00 C ATOM 349 C ASP A 23 -2.334 10.982 1.108 1.00 0.00 C ATOM 350 O ASP A 23 -2.420 11.591 2.176 1.00 0.00 O ATOM 351 CB ASP A 23 -1.106 12.504 -0.452 1.00 0.00 C ATOM 352 CG ASP A 23 -1.119 13.276 -1.757 1.00 0.00 C ATOM 353 OD1 ASP A 23 -0.853 12.664 -2.812 1.00 0.00 O ATOM 354 OD2 ASP A 23 -1.396 14.493 -1.723 1.00 0.00 O ATOM 0 H ASP A 23 -3.324 13.581 -0.525 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.519 10.988 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.952 13.197 0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.263 11.813 -0.450 1.00 0.00 H new ATOM 359 N THR A 24 -2.179 9.663 1.041 1.00 0.00 N ATOM 360 CA THR A 24 -2.103 8.840 2.241 1.00 0.00 C ATOM 361 C THR A 24 -1.034 7.762 2.101 1.00 0.00 C ATOM 362 O THR A 24 -0.994 7.039 1.104 1.00 0.00 O ATOM 363 CB THR A 24 -3.455 8.169 2.548 1.00 0.00 C ATOM 364 OG1 THR A 24 -4.459 9.168 2.765 1.00 0.00 O ATOM 365 CG2 THR A 24 -3.349 7.276 3.775 1.00 0.00 C ATOM 0 H THR A 24 -2.104 9.142 0.167 1.00 0.00 H new ATOM 0 HA THR A 24 -1.840 9.504 3.064 1.00 0.00 H new ATOM 0 HB THR A 24 -3.733 7.554 1.693 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.938 8.975 3.598 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.316 6.813 3.973 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.604 6.500 3.597 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.051 7.874 4.636 1.00 0.00 H new ATOM 373 N PHE A 25 -0.170 7.657 3.105 1.00 0.00 N ATOM 374 CA PHE A 25 0.899 6.667 3.093 1.00 0.00 C ATOM 375 C PHE A 25 0.932 5.886 4.404 1.00 0.00 C ATOM 376 O PHE A 25 0.871 6.469 5.487 1.00 0.00 O ATOM 377 CB PHE A 25 2.251 7.346 2.858 1.00 0.00 C ATOM 378 CG PHE A 25 2.290 8.185 1.613 1.00 0.00 C ATOM 379 CD1 PHE A 25 1.768 9.468 1.608 1.00 0.00 C ATOM 380 CD2 PHE A 25 2.852 7.690 0.446 1.00 0.00 C ATOM 381 CE1 PHE A 25 1.803 10.241 0.462 1.00 0.00 C ATOM 382 CE2 PHE A 25 2.891 8.458 -0.702 1.00 0.00 C ATOM 383 CZ PHE A 25 2.367 9.737 -0.693 1.00 0.00 C ATOM 0 H PHE A 25 -0.190 8.246 3.937 1.00 0.00 H new ATOM 0 HA PHE A 25 0.704 5.969 2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.488 7.973 3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.027 6.583 2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.329 9.869 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.264 6.692 0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.389 11.239 0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.330 8.060 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.399 10.341 -1.588 1.00 0.00 H new ATOM 393 N ILE A 26 1.028 4.566 4.296 1.00 0.00 N ATOM 394 CA ILE A 26 1.069 3.704 5.472 1.00 0.00 C ATOM 395 C ILE A 26 1.740 2.373 5.154 1.00 0.00 C ATOM 396 O ILE A 26 1.291 1.631 4.279 1.00 0.00 O ATOM 397 CB ILE A 26 -0.344 3.437 6.022 1.00 0.00 C ATOM 398 CG1 ILE A 26 -0.278 2.482 7.217 1.00 0.00 C ATOM 399 CG2 ILE A 26 -1.239 2.866 4.931 1.00 0.00 C ATOM 400 CD1 ILE A 26 -1.610 2.277 7.901 1.00 0.00 C ATOM 0 H ILE A 26 1.079 4.069 3.407 1.00 0.00 H new ATOM 0 HA ILE A 26 1.651 4.229 6.229 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.771 4.382 6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.100 1.517 6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.438 2.869 7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.234 2.683 5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.307 3.577 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.817 1.929 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.487 1.589 8.738 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.981 3.234 8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.324 1.860 7.190 1.00 0.00 H new ATOM 412 N LYS A 27 2.817 2.073 5.872 1.00 0.00 N ATOM 413 CA LYS A 27 3.549 0.828 5.670 1.00 0.00 C ATOM 414 C LYS A 27 2.643 -0.379 5.891 1.00 0.00 C ATOM 415 O LYS A 27 1.957 -0.474 6.909 1.00 0.00 O ATOM 416 CB LYS A 27 4.748 0.759 6.620 1.00 0.00 C ATOM 417 CG LYS A 27 6.087 0.912 5.920 1.00 0.00 C ATOM 418 CD LYS A 27 6.809 -0.420 5.800 1.00 0.00 C ATOM 419 CE LYS A 27 8.317 -0.233 5.736 1.00 0.00 C ATOM 420 NZ LYS A 27 9.026 -1.520 5.492 1.00 0.00 N ATOM 0 H LYS A 27 3.203 2.675 6.599 1.00 0.00 H new ATOM 0 HA LYS A 27 3.906 0.808 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.650 1.541 7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.729 -0.195 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.933 1.334 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.709 1.616 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.555 -1.051 6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.468 -0.941 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.562 0.473 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.669 0.204 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.016 -1.435 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.560 -2.280 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.998 -1.745 4.477 1.00 0.00 H new ATOM 434 N CYS A 28 2.645 -1.298 4.932 1.00 0.00 N ATOM 435 CA CYS A 28 1.823 -2.499 5.022 1.00 0.00 C ATOM 436 C CYS A 28 2.494 -3.552 5.898 1.00 0.00 C ATOM 437 O CYS A 28 3.719 -3.616 6.007 1.00 0.00 O ATOM 438 CB CYS A 28 1.563 -3.070 3.627 1.00 0.00 C ATOM 439 SG CYS A 28 1.052 -1.835 2.408 1.00 0.00 S ATOM 0 H CYS A 28 3.207 -1.234 4.083 1.00 0.00 H new ATOM 0 HA CYS A 28 0.872 -2.225 5.478 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.469 -3.562 3.273 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.791 -3.836 3.698 1.00 0.00 H new ATOM 0 HG CYS A 28 0.673 -2.433 1.317 1.00 0.00 H new ATOM 445 N PRO A 29 1.674 -4.396 6.540 1.00 0.00 N ATOM 446 CA PRO A 29 2.164 -5.462 7.420 1.00 0.00 C ATOM 447 C PRO A 29 2.866 -6.575 6.648 1.00 0.00 C ATOM 448 O PRO A 29 2.335 -7.676 6.506 1.00 0.00 O ATOM 449 CB PRO A 29 0.890 -5.992 8.082 1.00 0.00 C ATOM 450 CG PRO A 29 -0.200 -5.667 7.120 1.00 0.00 C ATOM 451 CD PRO A 29 0.203 -4.378 6.457 1.00 0.00 C ATOM 0 HA PRO A 29 2.907 -5.095 8.128 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.954 -7.065 8.260 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.719 -5.518 9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.322 -6.463 6.385 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.155 -5.559 7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.141 -4.333 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.218 -3.513 6.970 1.00 0.00 H new ATOM 459 N LYS A 30 4.062 -6.280 6.151 1.00 0.00 N ATOM 460 CA LYS A 30 4.838 -7.255 5.393 1.00 0.00 C ATOM 461 C LYS A 30 6.321 -7.152 5.732 1.00 0.00 C ATOM 462 O LYS A 30 7.130 -6.734 4.904 1.00 0.00 O ATOM 463 CB LYS A 30 4.631 -7.047 3.891 1.00 0.00 C ATOM 464 CG LYS A 30 3.215 -7.338 3.426 1.00 0.00 C ATOM 465 CD LYS A 30 2.326 -6.113 3.544 1.00 0.00 C ATOM 466 CE LYS A 30 0.856 -6.496 3.630 1.00 0.00 C ATOM 467 NZ LYS A 30 0.061 -5.900 2.521 1.00 0.00 N ATOM 0 H LYS A 30 4.516 -5.373 6.259 1.00 0.00 H new ATOM 0 HA LYS A 30 4.489 -8.251 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.883 -6.017 3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.323 -7.689 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.234 -7.676 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.796 -8.151 4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.607 -5.543 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.484 -5.463 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.761 -7.582 3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.450 -6.165 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.659 -5.260 2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.692 -5.365 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.406 -6.657 1.983 1.00 0.00 H new ATOM 481 N PHE A 31 6.672 -7.537 6.955 1.00 0.00 N ATOM 482 CA PHE A 31 8.059 -7.487 7.403 1.00 0.00 C ATOM 483 C PHE A 31 8.882 -8.590 6.745 1.00 0.00 C ATOM 484 O PHE A 31 8.463 -9.184 5.751 1.00 0.00 O ATOM 485 CB PHE A 31 8.130 -7.623 8.926 1.00 0.00 C ATOM 486 CG PHE A 31 7.226 -6.670 9.655 1.00 0.00 C ATOM 487 CD1 PHE A 31 5.923 -7.028 9.962 1.00 0.00 C ATOM 488 CD2 PHE A 31 7.679 -5.417 10.034 1.00 0.00 C ATOM 489 CE1 PHE A 31 5.089 -6.154 10.633 1.00 0.00 C ATOM 490 CE2 PHE A 31 6.849 -4.539 10.706 1.00 0.00 C ATOM 491 CZ PHE A 31 5.552 -4.908 11.004 1.00 0.00 C ATOM 0 H PHE A 31 6.016 -7.887 7.653 1.00 0.00 H new ATOM 0 HA PHE A 31 8.475 -6.523 7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.869 -8.644 9.204 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.157 -7.457 9.250 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.555 -8.001 9.673 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.692 -5.123 9.802 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.076 -6.446 10.867 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.215 -3.565 10.998 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.901 -4.223 11.527 1.00 0.00 H new ATOM 501 N ASP A 32 10.057 -8.856 7.305 1.00 0.00 N ATOM 502 CA ASP A 32 10.941 -9.888 6.773 1.00 0.00 C ATOM 503 C ASP A 32 10.169 -11.174 6.494 1.00 0.00 C ATOM 504 O ASP A 32 10.033 -12.029 7.369 1.00 0.00 O ATOM 505 CB ASP A 32 12.083 -10.165 7.751 1.00 0.00 C ATOM 506 CG ASP A 32 13.239 -9.199 7.581 1.00 0.00 C ATOM 507 OD1 ASP A 32 14.128 -9.477 6.750 1.00 0.00 O ATOM 508 OD2 ASP A 32 13.254 -8.164 8.279 1.00 0.00 O ATOM 0 H ASP A 32 10.420 -8.372 8.126 1.00 0.00 H new ATOM 0 HA ASP A 32 11.358 -9.526 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.707 -10.100 8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.441 -11.184 7.607 1.00 0.00 H new ATOM 513 N ASN A 33 9.667 -11.303 5.270 1.00 0.00 N ATOM 514 CA ASN A 33 8.907 -12.485 4.877 1.00 0.00 C ATOM 515 C ASN A 33 8.362 -12.334 3.460 1.00 0.00 C ATOM 516 O ASN A 33 8.566 -13.201 2.609 1.00 0.00 O ATOM 517 CB ASN A 33 7.756 -12.725 5.855 1.00 0.00 C ATOM 518 CG ASN A 33 6.690 -13.637 5.280 1.00 0.00 C ATOM 519 OD1 ASN A 33 6.974 -14.764 4.873 1.00 0.00 O ATOM 520 ND2 ASN A 33 5.454 -13.153 5.244 1.00 0.00 N ATOM 0 H ASN A 33 9.772 -10.605 4.534 1.00 0.00 H new ATOM 0 HA ASN A 33 9.579 -13.343 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.148 -13.163 6.773 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.306 -11.769 6.124 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.695 -13.721 4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.264 -12.213 5.592 1.00 0.00 H new ATOM 527 N LYS A 34 7.669 -11.228 3.213 1.00 0.00 N ATOM 528 CA LYS A 34 7.097 -10.960 1.899 1.00 0.00 C ATOM 529 C LYS A 34 7.039 -9.461 1.625 1.00 0.00 C ATOM 530 O LYS A 34 5.976 -8.912 1.337 1.00 0.00 O ATOM 531 CB LYS A 34 5.693 -11.562 1.800 1.00 0.00 C ATOM 532 CG LYS A 34 5.192 -11.706 0.374 1.00 0.00 C ATOM 533 CD LYS A 34 4.791 -13.139 0.065 1.00 0.00 C ATOM 534 CE LYS A 34 3.494 -13.517 0.761 1.00 0.00 C ATOM 535 NZ LYS A 34 2.887 -14.744 0.173 1.00 0.00 N ATOM 0 H LYS A 34 7.490 -10.502 3.906 1.00 0.00 H new ATOM 0 HA LYS A 34 7.739 -11.423 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.693 -12.542 2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.998 -10.935 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.338 -11.047 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.970 -11.387 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.676 -13.262 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.585 -13.816 0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.685 -13.679 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.787 -12.690 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.004 -14.969 0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.682 -14.582 -0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.551 -15.539 0.267 1.00 0.00 H new ATOM 549 N LYS A 35 8.191 -8.803 1.714 1.00 0.00 N ATOM 550 CA LYS A 35 8.273 -7.368 1.473 1.00 0.00 C ATOM 551 C LYS A 35 8.286 -7.067 -0.022 1.00 0.00 C ATOM 552 O LYS A 35 8.343 -7.980 -0.847 1.00 0.00 O ATOM 553 CB LYS A 35 9.527 -6.790 2.132 1.00 0.00 C ATOM 554 CG LYS A 35 9.231 -5.740 3.189 1.00 0.00 C ATOM 555 CD LYS A 35 10.260 -4.623 3.168 1.00 0.00 C ATOM 556 CE LYS A 35 11.523 -5.015 3.919 1.00 0.00 C ATOM 557 NZ LYS A 35 11.928 -3.974 4.905 1.00 0.00 N ATOM 0 H LYS A 35 9.081 -9.242 1.951 1.00 0.00 H new ATOM 0 HA LYS A 35 7.392 -6.900 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.095 -7.602 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.161 -6.350 1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.237 -5.324 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.219 -6.207 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.511 -4.377 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.833 -3.725 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.359 -5.961 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.333 -5.176 3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.793 -4.279 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.109 -3.078 4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.166 -3.838 5.599 1.00 0.00 H new ATOM 571 N CYS A 36 8.237 -5.785 -0.364 1.00 0.00 N ATOM 572 CA CYS A 36 8.245 -5.364 -1.760 1.00 0.00 C ATOM 573 C CYS A 36 9.590 -5.668 -2.412 1.00 0.00 C ATOM 574 O CYS A 36 10.628 -5.667 -1.749 1.00 0.00 O ATOM 575 CB CYS A 36 7.939 -3.869 -1.866 1.00 0.00 C ATOM 576 SG CYS A 36 7.477 -3.326 -3.528 1.00 0.00 S ATOM 0 H CYS A 36 8.191 -5.018 0.307 1.00 0.00 H new ATOM 0 HA CYS A 36 7.472 -5.923 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.130 -3.625 -1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.814 -3.306 -1.542 1.00 0.00 H new ATOM 0 HG CYS A 36 7.483 -2.027 -3.578 1.00 0.00 H new ATOM 582 N THR A 37 9.565 -5.929 -3.715 1.00 0.00 N ATOM 583 CA THR A 37 10.780 -6.238 -4.457 1.00 0.00 C ATOM 584 C THR A 37 10.703 -5.709 -5.884 1.00 0.00 C ATOM 585 O THR A 37 11.141 -6.369 -6.827 1.00 0.00 O ATOM 586 CB THR A 37 11.044 -7.756 -4.498 1.00 0.00 C ATOM 587 OG1 THR A 37 9.889 -8.440 -4.997 1.00 0.00 O ATOM 588 CG2 THR A 37 11.391 -8.282 -3.113 1.00 0.00 C ATOM 0 H THR A 37 8.715 -5.932 -4.279 1.00 0.00 H new ATOM 0 HA THR A 37 11.601 -5.748 -3.934 1.00 0.00 H new ATOM 0 HB THR A 37 11.889 -7.938 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.065 -9.404 -5.022 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.573 -9.355 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.286 -7.780 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.562 -8.088 -2.432 1.00 0.00 H new ATOM 596 N LYS A 38 10.146 -4.513 -6.037 1.00 0.00 N ATOM 597 CA LYS A 38 10.013 -3.893 -7.351 1.00 0.00 C ATOM 598 C LYS A 38 9.325 -2.536 -7.243 1.00 0.00 C ATOM 599 O LYS A 38 8.208 -2.434 -6.736 1.00 0.00 O ATOM 600 CB LYS A 38 9.223 -4.805 -8.291 1.00 0.00 C ATOM 601 CG LYS A 38 10.033 -5.312 -9.470 1.00 0.00 C ATOM 602 CD LYS A 38 9.436 -4.863 -10.792 1.00 0.00 C ATOM 603 CE LYS A 38 10.330 -5.238 -11.964 1.00 0.00 C ATOM 604 NZ LYS A 38 9.731 -6.316 -12.797 1.00 0.00 N ATOM 0 H LYS A 38 9.779 -3.953 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 38 11.013 -3.743 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.848 -5.658 -7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.354 -4.263 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.058 -4.949 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.077 -6.401 -9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.454 -5.318 -10.922 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.288 -3.783 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.507 -4.358 -12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.300 -5.565 -11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.371 -6.542 -13.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.586 -7.165 -12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.817 -5.995 -13.175 1.00 0.00 H new ATOM 618 N ASP A 39 9.998 -1.496 -7.726 1.00 0.00 N ATOM 619 CA ASP A 39 9.451 -0.146 -7.686 1.00 0.00 C ATOM 620 C ASP A 39 8.039 -0.115 -8.263 1.00 0.00 C ATOM 621 O ASP A 39 7.839 -0.360 -9.452 1.00 0.00 O ATOM 622 CB ASP A 39 10.353 0.817 -8.461 1.00 0.00 C ATOM 623 CG ASP A 39 10.923 0.189 -9.718 1.00 0.00 C ATOM 624 OD1 ASP A 39 10.171 0.048 -10.705 1.00 0.00 O ATOM 625 OD2 ASP A 39 12.123 -0.159 -9.715 1.00 0.00 O ATOM 0 H ASP A 39 10.923 -1.563 -8.150 1.00 0.00 H new ATOM 0 HA ASP A 39 9.406 0.170 -6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.784 1.708 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.171 1.142 -7.818 1.00 0.00 H new ATOM 630 N ASN A 40 7.063 0.185 -7.412 1.00 0.00 N ATOM 631 CA ASN A 40 5.669 0.246 -7.838 1.00 0.00 C ATOM 632 C ASN A 40 5.192 -1.115 -8.333 1.00 0.00 C ATOM 633 O ASN A 40 5.053 -1.336 -9.535 1.00 0.00 O ATOM 634 CB ASN A 40 5.497 1.292 -8.942 1.00 0.00 C ATOM 635 CG ASN A 40 5.002 2.622 -8.406 1.00 0.00 C ATOM 636 OD1 ASN A 40 3.825 2.957 -8.540 1.00 0.00 O ATOM 637 ND2 ASN A 40 5.901 3.386 -7.797 1.00 0.00 N ATOM 0 H ASN A 40 7.211 0.390 -6.424 1.00 0.00 H new ATOM 0 HA ASN A 40 5.064 0.532 -6.978 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.450 1.440 -9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.793 0.919 -9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.627 4.292 -7.417 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.866 3.067 -7.709 1.00 0.00 H new ATOM 644 N ASN A 41 4.942 -2.025 -7.397 1.00 0.00 N ATOM 645 CA ASN A 41 4.480 -3.366 -7.737 1.00 0.00 C ATOM 646 C ASN A 41 2.958 -3.409 -7.831 1.00 0.00 C ATOM 647 O ASN A 41 2.391 -3.379 -8.923 1.00 0.00 O ATOM 648 CB ASN A 41 4.967 -4.375 -6.696 1.00 0.00 C ATOM 649 CG ASN A 41 6.094 -5.246 -7.217 1.00 0.00 C ATOM 650 OD1 ASN A 41 6.345 -5.302 -8.421 1.00 0.00 O ATOM 651 ND2 ASN A 41 6.781 -5.931 -6.310 1.00 0.00 N ATOM 0 H ASN A 41 5.052 -1.858 -6.397 1.00 0.00 H new ATOM 0 HA ASN A 41 4.894 -3.630 -8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.305 -3.842 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.134 -5.008 -6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.551 -6.533 -6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.539 -5.855 -5.322 1.00 0.00 H new ATOM 658 N LYS A 42 2.301 -3.479 -6.678 1.00 0.00 N ATOM 659 CA LYS A 42 0.845 -3.523 -6.628 1.00 0.00 C ATOM 660 C LYS A 42 0.352 -3.588 -5.186 1.00 0.00 C ATOM 661 O LYS A 42 0.827 -4.403 -4.393 1.00 0.00 O ATOM 662 CB LYS A 42 0.324 -4.731 -7.410 1.00 0.00 C ATOM 663 CG LYS A 42 -1.154 -5.006 -7.193 1.00 0.00 C ATOM 664 CD LYS A 42 -1.751 -5.790 -8.349 1.00 0.00 C ATOM 665 CE LYS A 42 -3.050 -5.166 -8.835 1.00 0.00 C ATOM 666 NZ LYS A 42 -3.723 -6.011 -9.860 1.00 0.00 N ATOM 0 H LYS A 42 2.755 -3.506 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 42 0.463 -2.610 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.502 -4.569 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.895 -5.613 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.289 -5.563 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.688 -4.062 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.036 -5.830 -9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.935 -6.818 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.721 -5.019 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.845 -4.181 -9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.604 -5.551 -10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.093 -6.131 -10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.942 -6.942 -9.453 1.00 0.00 H new ATOM 680 N CYS A 43 -0.602 -2.725 -4.853 1.00 0.00 N ATOM 681 CA CYS A 43 -1.160 -2.686 -3.505 1.00 0.00 C ATOM 682 C CYS A 43 -2.673 -2.495 -3.549 1.00 0.00 C ATOM 683 O CYS A 43 -3.267 -2.402 -4.623 1.00 0.00 O ATOM 684 CB CYS A 43 -0.515 -1.558 -2.697 1.00 0.00 C ATOM 685 SG CYS A 43 -0.115 -2.008 -0.992 1.00 0.00 S ATOM 0 H CYS A 43 -1.005 -2.044 -5.497 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.946 -3.639 -3.021 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.397 -1.240 -3.201 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.189 -0.701 -2.687 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.570 -3.199 -0.740 1.00 0.00 H new ATOM 691 N THR A 44 -3.290 -2.439 -2.373 1.00 0.00 N ATOM 692 CA THR A 44 -4.734 -2.262 -2.276 1.00 0.00 C ATOM 693 C THR A 44 -5.165 -2.045 -0.830 1.00 0.00 C ATOM 694 O THR A 44 -4.543 -2.559 0.098 1.00 0.00 O ATOM 695 CB THR A 44 -5.488 -3.478 -2.847 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.563 -4.524 -3.164 1.00 0.00 O ATOM 697 CG2 THR A 44 -6.271 -3.092 -4.093 1.00 0.00 C ATOM 0 H THR A 44 -2.813 -2.514 -1.475 1.00 0.00 H new ATOM 0 HA THR A 44 -4.985 -1.379 -2.864 1.00 0.00 H new ATOM 0 HB THR A 44 -6.189 -3.831 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.051 -5.294 -3.525 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.795 -3.966 -4.479 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.995 -2.316 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.585 -2.716 -4.852 1.00 0.00 H new ATOM 705 N VAL A 45 -6.236 -1.279 -0.646 1.00 0.00 N ATOM 706 CA VAL A 45 -6.753 -0.994 0.687 1.00 0.00 C ATOM 707 C VAL A 45 -8.264 -0.799 0.661 1.00 0.00 C ATOM 708 O VAL A 45 -8.803 -0.165 -0.246 1.00 0.00 O ATOM 709 CB VAL A 45 -6.095 0.263 1.288 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.705 0.591 2.641 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.590 0.072 1.404 1.00 0.00 C ATOM 0 H VAL A 45 -6.763 -0.845 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.511 -1.855 1.310 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.281 1.104 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.227 1.482 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.773 0.774 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.553 -0.247 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.141 0.969 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.380 -0.781 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.169 -0.110 0.415 1.00 0.00 H new ATOM 721 N ASP A 46 -8.942 -1.349 1.662 1.00 0.00 N ATOM 722 CA ASP A 46 -10.394 -1.234 1.756 1.00 0.00 C ATOM 723 C ASP A 46 -10.796 -0.425 2.985 1.00 0.00 C ATOM 724 O ASP A 46 -10.132 -0.475 4.021 1.00 0.00 O ATOM 725 CB ASP A 46 -11.034 -2.622 1.811 1.00 0.00 C ATOM 726 CG ASP A 46 -12.469 -2.618 1.323 1.00 0.00 C ATOM 727 OD1 ASP A 46 -13.288 -1.867 1.894 1.00 0.00 O ATOM 728 OD2 ASP A 46 -12.773 -3.365 0.370 1.00 0.00 O ATOM 0 H ASP A 46 -8.511 -1.879 2.420 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.751 -0.713 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.449 -3.313 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.003 -2.993 2.836 1.00 0.00 H new ATOM 733 N THR A 47 -11.890 0.321 2.864 1.00 0.00 N ATOM 734 CA THR A 47 -12.381 1.142 3.964 1.00 0.00 C ATOM 735 C THR A 47 -13.203 0.313 4.944 1.00 0.00 C ATOM 736 O THR A 47 -13.491 0.757 6.056 1.00 0.00 O ATOM 737 CB THR A 47 -13.241 2.312 3.451 1.00 0.00 C ATOM 738 OG1 THR A 47 -14.443 1.811 2.852 1.00 0.00 O ATOM 739 CG2 THR A 47 -12.473 3.145 2.435 1.00 0.00 C ATOM 0 H THR A 47 -12.453 0.373 2.015 1.00 0.00 H new ATOM 0 HA THR A 47 -11.505 1.542 4.476 1.00 0.00 H new ATOM 0 HB THR A 47 -13.494 2.946 4.300 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.985 2.561 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.101 3.965 2.087 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.574 3.549 2.901 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.193 2.519 1.588 1.00 0.00 H new ATOM 747 N TYR A 48 -13.577 -0.890 4.525 1.00 0.00 N ATOM 748 CA TYR A 48 -14.368 -1.780 5.367 1.00 0.00 C ATOM 749 C TYR A 48 -13.727 -1.942 6.742 1.00 0.00 C ATOM 750 O TYR A 48 -14.361 -1.697 7.768 1.00 0.00 O ATOM 751 CB TYR A 48 -14.520 -3.147 4.698 1.00 0.00 C ATOM 752 CG TYR A 48 -15.035 -4.223 5.629 1.00 0.00 C ATOM 753 CD1 TYR A 48 -16.054 -3.956 6.534 1.00 0.00 C ATOM 754 CD2 TYR A 48 -14.500 -5.505 5.603 1.00 0.00 C ATOM 755 CE1 TYR A 48 -16.526 -4.935 7.387 1.00 0.00 C ATOM 756 CE2 TYR A 48 -14.968 -6.491 6.451 1.00 0.00 C ATOM 757 CZ TYR A 48 -15.981 -6.201 7.341 1.00 0.00 C ATOM 758 OH TYR A 48 -16.449 -7.180 8.187 1.00 0.00 O ATOM 0 H TYR A 48 -13.346 -1.272 3.608 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.354 -1.335 5.497 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -15.201 -3.054 3.852 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.554 -3.456 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -16.485 -2.966 6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -13.705 -5.735 4.909 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -17.318 -4.710 8.086 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.543 -7.483 6.417 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.959 -8.013 8.025 1.00 0.00 H new ATOM 768 N ASN A 49 -12.465 -2.357 6.754 1.00 0.00 N ATOM 769 CA ASN A 49 -11.735 -2.553 8.002 1.00 0.00 C ATOM 770 C ASN A 49 -10.239 -2.336 7.798 1.00 0.00 C ATOM 771 O ASN A 49 -9.415 -3.056 8.360 1.00 0.00 O ATOM 772 CB ASN A 49 -11.988 -3.959 8.550 1.00 0.00 C ATOM 773 CG ASN A 49 -12.044 -3.988 10.064 1.00 0.00 C ATOM 774 OD1 ASN A 49 -12.899 -3.350 10.678 1.00 0.00 O ATOM 775 ND2 ASN A 49 -11.128 -4.731 10.676 1.00 0.00 N ATOM 0 H ASN A 49 -11.926 -2.564 5.913 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.095 -1.819 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.927 -4.339 8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.199 -4.628 8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.115 -4.789 11.694 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.438 -5.244 10.127 1.00 0.00 H new ATOM 782 N ASN A 50 -9.896 -1.338 6.990 1.00 0.00 N ATOM 783 CA ASN A 50 -8.500 -1.025 6.711 1.00 0.00 C ATOM 784 C ASN A 50 -7.737 -2.275 6.283 1.00 0.00 C ATOM 785 O ASN A 50 -6.635 -2.537 6.762 1.00 0.00 O ATOM 786 CB ASN A 50 -7.837 -0.408 7.944 1.00 0.00 C ATOM 787 CG ASN A 50 -6.868 0.702 7.586 1.00 0.00 C ATOM 788 OD1 ASN A 50 -6.869 1.765 8.205 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.035 0.459 6.580 1.00 0.00 N ATOM 0 H ASN A 50 -10.566 -0.732 6.517 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.472 -0.305 5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.607 -0.014 8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.307 -1.185 8.495 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.361 1.169 6.293 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.069 -0.437 6.095 1.00 0.00 H new ATOM 796 N ALA A 51 -8.333 -3.043 5.376 1.00 0.00 N ATOM 797 CA ALA A 51 -7.710 -4.264 4.880 1.00 0.00 C ATOM 798 C ALA A 51 -6.726 -3.961 3.755 1.00 0.00 C ATOM 799 O ALA A 51 -7.126 -3.615 2.644 1.00 0.00 O ATOM 800 CB ALA A 51 -8.772 -5.244 4.406 1.00 0.00 C ATOM 0 H ALA A 51 -9.247 -2.841 4.970 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.154 -4.718 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.292 -6.151 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.433 -5.494 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.353 -4.790 3.603 1.00 0.00 H new ATOM 806 N VAL A 52 -5.437 -4.093 4.051 1.00 0.00 N ATOM 807 CA VAL A 52 -4.395 -3.833 3.065 1.00 0.00 C ATOM 808 C VAL A 52 -3.879 -5.132 2.457 1.00 0.00 C ATOM 809 O VAL A 52 -3.892 -6.181 3.102 1.00 0.00 O ATOM 810 CB VAL A 52 -3.214 -3.064 3.685 1.00 0.00 C ATOM 811 CG1 VAL A 52 -2.241 -2.618 2.604 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.716 -1.873 4.487 1.00 0.00 C ATOM 0 H VAL A 52 -5.089 -4.379 4.966 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.845 -3.222 2.282 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.684 -3.732 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.413 -2.076 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.857 -3.492 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.755 -1.966 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.868 -1.341 4.918 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.271 -1.201 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.370 -2.222 5.286 1.00 0.00 H new ATOM 822 N ASP A 53 -3.425 -5.055 1.210 1.00 0.00 N ATOM 823 CA ASP A 53 -2.901 -6.226 0.514 1.00 0.00 C ATOM 824 C ASP A 53 -1.531 -5.931 -0.088 1.00 0.00 C ATOM 825 O ASP A 53 -1.043 -4.803 -0.024 1.00 0.00 O ATOM 826 CB ASP A 53 -3.870 -6.668 -0.584 1.00 0.00 C ATOM 827 CG ASP A 53 -4.871 -7.696 -0.094 1.00 0.00 C ATOM 828 OD1 ASP A 53 -5.766 -7.324 0.693 1.00 0.00 O ATOM 829 OD2 ASP A 53 -4.757 -8.873 -0.496 1.00 0.00 O ATOM 0 H ASP A 53 -3.409 -4.195 0.661 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.793 -7.033 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.404 -5.798 -0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.304 -7.085 -1.417 1.00 0.00 H new ATOM 834 N CYS A 54 -0.915 -6.955 -0.670 1.00 0.00 N ATOM 835 CA CYS A 54 0.400 -6.806 -1.283 1.00 0.00 C ATOM 836 C CYS A 54 0.461 -7.530 -2.623 1.00 0.00 C ATOM 837 O CYS A 54 -0.302 -8.465 -2.871 1.00 0.00 O ATOM 838 CB CYS A 54 1.485 -7.346 -0.348 1.00 0.00 C ATOM 839 SG CYS A 54 1.521 -9.150 -0.224 1.00 0.00 S ATOM 0 H CYS A 54 -1.305 -7.896 -0.730 1.00 0.00 H new ATOM 0 HA CYS A 54 0.574 -5.744 -1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.457 -6.997 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.334 -6.927 0.647 1.00 0.00 H new ATOM 0 HG CYS A 54 2.472 -9.510 0.586 1.00 0.00 H new ATOM 845 N ASP A 55 1.372 -7.092 -3.486 1.00 0.00 N ATOM 846 CA ASP A 55 1.531 -7.698 -4.803 1.00 0.00 C ATOM 847 C ASP A 55 1.960 -9.157 -4.682 1.00 0.00 C ATOM 848 O ASP A 55 1.694 -9.968 -5.569 1.00 0.00 O ATOM 849 CB ASP A 55 2.558 -6.918 -5.625 1.00 0.00 C ATOM 850 CG ASP A 55 2.697 -7.454 -7.037 1.00 0.00 C ATOM 851 OD1 ASP A 55 1.783 -8.175 -7.491 1.00 0.00 O ATOM 852 OD2 ASP A 55 3.718 -7.150 -7.688 1.00 0.00 O ATOM 0 H ASP A 55 2.011 -6.320 -3.297 1.00 0.00 H new ATOM 0 HA ASP A 55 0.567 -7.663 -5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.266 -5.869 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.526 -6.961 -5.126 1.00 0.00 H new