USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 704 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 67 GLN : amide:sc= -4.71! C(o=-8.7!,f=-13!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -4.02 K(o=-8.7,f=-18!) USER MOD Set 2.1: A 5 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 7 TYR OH : rot -59:sc= 0.0331 USER MOD Set 3.2: A 65 MET CE :methyl -146:sc= -0.466 (180deg=-2.78!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -4.57! (180deg=-5.44!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.124 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.013) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0585 X(o=-0.059,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= 1.29 (180deg=-0.871) USER MOD Single : A 25 THR OG1 : rot 77:sc= 1 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0408) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.04 K(o=-3,f=-2.1!) USER MOD Single : A 35 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.2) USER MOD Single : A 37 MET CE :methyl 160:sc= -1 (180deg=-2.51!) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= -0.529 (180deg=-0.58) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 140:sc= -2.75! USER MOD Single : A 81 GLN : amide:sc= -0.0158 K(o=-0.016,f=-0.7) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -112:sc= 1.03 (180deg=-0.211) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.897 0.008 -4.395 1.00 0.00 N ATOM 2 CA MET A 1 -10.524 -0.417 -4.781 1.00 0.00 C ATOM 3 C MET A 1 -9.446 0.339 -4.028 1.00 0.00 C ATOM 4 O MET A 1 -9.193 1.513 -4.285 1.00 0.00 O ATOM 5 CB MET A 1 -10.354 -0.203 -6.278 1.00 0.00 C ATOM 6 CG MET A 1 -9.207 -0.983 -6.893 1.00 0.00 C ATOM 7 SD MET A 1 -9.171 -0.847 -8.692 1.00 0.00 S ATOM 8 CE MET A 1 -9.915 -2.406 -9.164 1.00 0.00 C ATOM 0 H1 MET A 1 -12.587 -0.685 -4.749 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.964 0.065 -3.359 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.100 0.941 -4.807 1.00 0.00 H new ATOM 0 HA MET A 1 -10.410 -1.470 -4.522 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.280 -0.483 -6.781 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.198 0.859 -6.466 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.264 -0.620 -6.485 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.293 -2.033 -6.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.963 -2.472 -10.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.313 -3.228 -8.777 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.922 -2.468 -8.752 1.00 0.00 H new ATOM 20 N PHE A 2 -8.787 -0.360 -3.116 1.00 0.00 N ATOM 21 CA PHE A 2 -7.713 0.232 -2.341 1.00 0.00 C ATOM 22 C PHE A 2 -6.440 0.303 -3.171 1.00 0.00 C ATOM 23 O PHE A 2 -6.194 -0.553 -4.020 1.00 0.00 O ATOM 24 CB PHE A 2 -7.473 -0.579 -1.069 1.00 0.00 C ATOM 25 CG PHE A 2 -8.595 -0.471 -0.079 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.730 -1.255 -0.211 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.519 0.418 0.979 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.767 -1.156 0.696 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.553 0.524 1.889 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.679 -0.265 1.747 1.00 0.00 C ATOM 0 H PHE A 2 -8.979 -1.337 -2.896 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.001 1.245 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.331 -1.627 -1.335 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.549 -0.242 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.805 -1.952 -1.033 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.641 1.036 1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.645 -1.774 0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.482 1.222 2.710 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.489 -0.185 2.457 1.00 0.00 H new ATOM 40 N LYS A 3 -5.638 1.330 -2.932 1.00 0.00 N ATOM 41 CA LYS A 3 -4.397 1.507 -3.667 1.00 0.00 C ATOM 42 C LYS A 3 -3.207 1.182 -2.780 1.00 0.00 C ATOM 43 O LYS A 3 -3.029 1.786 -1.723 1.00 0.00 O ATOM 44 CB LYS A 3 -4.291 2.940 -4.185 1.00 0.00 C ATOM 45 CG LYS A 3 -4.999 3.163 -5.510 1.00 0.00 C ATOM 46 CD LYS A 3 -6.415 3.678 -5.302 1.00 0.00 C ATOM 47 CE LYS A 3 -7.182 3.747 -6.613 1.00 0.00 C ATOM 48 NZ LYS A 3 -7.363 5.151 -7.077 1.00 0.00 N ATOM 0 H LYS A 3 -5.825 2.052 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.395 0.825 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.709 3.618 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.238 3.200 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.435 3.877 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.029 2.229 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.942 3.026 -4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.380 4.668 -4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.650 3.178 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.158 3.277 -6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.890 5.155 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.893 5.688 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.432 5.592 -7.221 1.00 0.00 H new ATOM 62 N VAL A 4 -2.397 0.219 -3.200 1.00 0.00 N ATOM 63 CA VAL A 4 -1.236 -0.166 -2.410 1.00 0.00 C ATOM 64 C VAL A 4 0.078 0.178 -3.095 1.00 0.00 C ATOM 65 O VAL A 4 0.303 -0.151 -4.262 1.00 0.00 O ATOM 66 CB VAL A 4 -1.228 -1.671 -2.071 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.118 -2.082 -1.489 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.331 -2.004 -1.093 1.00 0.00 C ATOM 0 H VAL A 4 -2.519 -0.302 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.321 0.411 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.398 -2.225 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.104 -3.147 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.905 -1.880 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.309 -1.514 -0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.308 -3.070 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.187 -1.435 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.295 -1.747 -1.531 1.00 0.00 H new ATOM 78 N TYR A 5 0.955 0.799 -2.322 1.00 0.00 N ATOM 79 CA TYR A 5 2.279 1.161 -2.776 1.00 0.00 C ATOM 80 C TYR A 5 3.284 0.280 -2.056 1.00 0.00 C ATOM 81 O TYR A 5 3.616 0.531 -0.898 1.00 0.00 O ATOM 82 CB TYR A 5 2.555 2.635 -2.475 1.00 0.00 C ATOM 83 CG TYR A 5 1.724 3.589 -3.303 1.00 0.00 C ATOM 84 CD1 TYR A 5 1.381 3.280 -4.613 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.291 4.803 -2.780 1.00 0.00 C ATOM 86 CE1 TYR A 5 0.632 4.151 -5.379 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.538 5.676 -3.543 1.00 0.00 C ATOM 88 CZ TYR A 5 0.213 5.346 -4.839 1.00 0.00 C ATOM 89 OH TYR A 5 -0.534 6.216 -5.601 1.00 0.00 O ATOM 0 H TYR A 5 0.762 1.066 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 5 2.359 1.016 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.364 2.823 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.611 2.841 -2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.706 2.342 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.546 5.067 -1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.376 3.896 -6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.206 6.614 -3.123 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.066 5.709 -6.249 1.00 0.00 H new ATOM 99 N GLY A 6 3.742 -0.772 -2.722 1.00 0.00 N ATOM 100 CA GLY A 6 4.676 -1.670 -2.085 1.00 0.00 C ATOM 101 C GLY A 6 5.559 -2.398 -3.069 1.00 0.00 C ATOM 102 O GLY A 6 6.043 -1.811 -4.037 1.00 0.00 O ATOM 0 H GLY A 6 3.486 -1.015 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.301 -1.105 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.124 -2.399 -1.492 1.00 0.00 H new ATOM 106 N TYR A 7 5.799 -3.675 -2.807 1.00 0.00 N ATOM 107 CA TYR A 7 6.651 -4.467 -3.655 1.00 0.00 C ATOM 108 C TYR A 7 6.204 -5.925 -3.708 1.00 0.00 C ATOM 109 O TYR A 7 6.509 -6.708 -2.809 1.00 0.00 O ATOM 110 CB TYR A 7 8.064 -4.371 -3.118 1.00 0.00 C ATOM 111 CG TYR A 7 8.493 -2.946 -2.881 1.00 0.00 C ATOM 112 CD1 TYR A 7 8.758 -2.103 -3.946 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.609 -2.438 -1.595 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.130 -0.792 -3.740 1.00 0.00 C ATOM 115 CE2 TYR A 7 8.979 -1.126 -1.379 1.00 0.00 C ATOM 116 CZ TYR A 7 9.239 -0.307 -2.455 1.00 0.00 C ATOM 117 OH TYR A 7 9.610 1.001 -2.246 1.00 0.00 O ATOM 0 H TYR A 7 5.410 -4.178 -2.009 1.00 0.00 H new ATOM 0 HA TYR A 7 6.597 -4.084 -4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.133 -4.929 -2.184 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.750 -4.842 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.672 -2.479 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.407 -3.079 -0.750 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.335 -0.148 -4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.064 -0.744 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 7 10.488 1.161 -2.651 1.00 0.00 H new ATOM 127 N ASP A 8 5.497 -6.288 -4.774 1.00 0.00 N ATOM 128 CA ASP A 8 5.028 -7.660 -4.945 1.00 0.00 C ATOM 129 C ASP A 8 5.804 -8.353 -6.063 1.00 0.00 C ATOM 130 O ASP A 8 5.217 -8.851 -7.025 1.00 0.00 O ATOM 131 CB ASP A 8 3.528 -7.689 -5.249 1.00 0.00 C ATOM 132 CG ASP A 8 3.007 -9.095 -5.483 1.00 0.00 C ATOM 133 OD1 ASP A 8 2.795 -9.821 -4.490 1.00 0.00 O ATOM 134 OD2 ASP A 8 2.812 -9.468 -6.659 1.00 0.00 O ATOM 0 H ASP A 8 5.237 -5.654 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 8 5.201 -8.196 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.984 -7.237 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.328 -7.080 -6.131 1.00 0.00 H new ATOM 139 N SER A 9 7.128 -8.375 -5.937 1.00 0.00 N ATOM 140 CA SER A 9 7.974 -9.002 -6.948 1.00 0.00 C ATOM 141 C SER A 9 9.230 -9.613 -6.331 1.00 0.00 C ATOM 142 O SER A 9 9.342 -9.744 -5.112 1.00 0.00 O ATOM 143 CB SER A 9 8.364 -7.977 -8.013 1.00 0.00 C ATOM 144 OG SER A 9 7.343 -7.008 -8.187 1.00 0.00 O ATOM 0 H SER A 9 7.635 -7.969 -5.151 1.00 0.00 H new ATOM 0 HA SER A 9 7.401 -9.807 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.292 -7.484 -7.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.553 -8.485 -8.959 1.00 0.00 H new ATOM 0 HG SER A 9 7.617 -6.363 -8.872 1.00 0.00 H new ATOM 150 N ASN A 10 10.172 -9.984 -7.193 1.00 0.00 N ATOM 151 CA ASN A 10 11.431 -10.582 -6.763 1.00 0.00 C ATOM 152 C ASN A 10 12.455 -9.505 -6.424 1.00 0.00 C ATOM 153 O ASN A 10 13.583 -9.811 -6.036 1.00 0.00 O ATOM 154 CB ASN A 10 11.981 -11.505 -7.852 1.00 0.00 C ATOM 155 CG ASN A 10 10.991 -12.582 -8.249 1.00 0.00 C ATOM 156 OD1 ASN A 10 10.479 -13.315 -7.403 1.00 0.00 O ATOM 157 ND2 ASN A 10 10.713 -12.684 -9.544 1.00 0.00 N ATOM 0 H ASN A 10 10.085 -9.879 -8.204 1.00 0.00 H new ATOM 0 HA ASN A 10 11.238 -11.169 -5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.241 -10.913 -8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.900 -11.972 -7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.053 -13.390 -9.870 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.160 -12.056 -10.212 1.00 0.00 H new ATOM 164 N ILE A 11 12.054 -8.244 -6.555 1.00 0.00 N ATOM 165 CA ILE A 11 12.938 -7.129 -6.245 1.00 0.00 C ATOM 166 C ILE A 11 12.819 -6.768 -4.773 1.00 0.00 C ATOM 167 O ILE A 11 13.652 -6.043 -4.229 1.00 0.00 O ATOM 168 CB ILE A 11 12.625 -5.875 -7.094 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.995 -6.259 -8.435 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.890 -5.060 -7.314 1.00 0.00 C ATOM 171 CD1 ILE A 11 12.830 -7.234 -9.241 1.00 0.00 C ATOM 0 H ILE A 11 11.124 -7.971 -6.873 1.00 0.00 H new ATOM 0 HA ILE A 11 13.952 -7.452 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 11 11.904 -5.266 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.014 -6.698 -8.254 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.836 -5.356 -9.024 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.656 -4.180 -7.913 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.293 -4.747 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.629 -5.668 -7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.321 -7.460 -10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.803 -6.791 -9.454 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.967 -8.153 -8.671 1.00 0.00 H new ATOM 183 N HIS A 12 11.782 -7.299 -4.126 1.00 0.00 N ATOM 184 CA HIS A 12 11.568 -7.048 -2.708 1.00 0.00 C ATOM 185 C HIS A 12 10.388 -7.843 -2.183 1.00 0.00 C ATOM 186 O HIS A 12 9.250 -7.676 -2.620 1.00 0.00 O ATOM 187 CB HIS A 12 11.362 -5.568 -2.443 1.00 0.00 C ATOM 188 CG HIS A 12 11.639 -5.162 -1.030 1.00 0.00 C ATOM 189 ND1 HIS A 12 12.850 -5.346 -0.404 1.00 0.00 N ATOM 190 CD2 HIS A 12 10.836 -4.558 -0.120 1.00 0.00 C ATOM 191 CE1 HIS A 12 12.749 -4.862 0.841 1.00 0.00 C ATOM 192 NE2 HIS A 12 11.545 -4.371 1.064 1.00 0.00 N ATOM 0 H HIS A 12 11.083 -7.901 -4.561 1.00 0.00 H new ATOM 0 HA HIS A 12 12.464 -7.373 -2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.008 -4.996 -3.109 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.334 -5.304 -2.692 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.809 -4.268 -0.287 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.548 -4.872 1.567 1.00 0.00 H new ATOM 0 HE2 HIS A 12 11.204 -3.943 1.925 1.00 0.00 H new ATOM 200 N LYS A 13 10.694 -8.709 -1.243 1.00 0.00 N ATOM 201 CA LYS A 13 9.697 -9.576 -0.616 1.00 0.00 C ATOM 202 C LYS A 13 8.941 -8.859 0.502 1.00 0.00 C ATOM 203 O LYS A 13 9.334 -7.780 0.945 1.00 0.00 O ATOM 204 CB LYS A 13 10.373 -10.832 -0.060 1.00 0.00 C ATOM 205 CG LYS A 13 9.471 -12.058 -0.044 1.00 0.00 C ATOM 206 CD LYS A 13 10.226 -13.302 0.401 1.00 0.00 C ATOM 207 CE LYS A 13 9.811 -13.737 1.798 1.00 0.00 C ATOM 208 NZ LYS A 13 10.760 -14.730 2.375 1.00 0.00 N ATOM 0 H LYS A 13 11.640 -8.839 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 13 8.974 -9.854 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.258 -11.051 -0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.715 -10.630 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.630 -11.883 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.057 -12.219 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.041 -14.113 -0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.298 -13.104 0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.758 -12.865 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.811 -14.169 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.442 -15.001 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.792 -15.573 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.709 -14.309 2.434 1.00 0.00 H new ATOM 222 N CYS A 14 7.861 -9.486 0.967 1.00 0.00 N ATOM 223 CA CYS A 14 7.053 -8.934 2.049 1.00 0.00 C ATOM 224 C CYS A 14 5.930 -9.888 2.442 1.00 0.00 C ATOM 225 O CYS A 14 4.951 -10.042 1.712 1.00 0.00 O ATOM 226 CB CYS A 14 6.456 -7.581 1.667 1.00 0.00 C ATOM 227 SG CYS A 14 5.847 -7.471 -0.044 1.00 0.00 S ATOM 0 H CYS A 14 7.526 -10.380 0.608 1.00 0.00 H new ATOM 0 HA CYS A 14 7.719 -8.797 2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.633 -7.358 2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.212 -6.810 1.819 1.00 0.00 H new ATOM 232 N VAL A 15 6.066 -10.511 3.606 1.00 0.00 N ATOM 233 CA VAL A 15 5.049 -11.430 4.098 1.00 0.00 C ATOM 234 C VAL A 15 3.789 -10.672 4.503 1.00 0.00 C ATOM 235 O VAL A 15 2.718 -11.260 4.651 1.00 0.00 O ATOM 236 CB VAL A 15 5.555 -12.243 5.304 1.00 0.00 C ATOM 237 CG1 VAL A 15 6.583 -13.272 4.861 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.136 -11.319 6.362 1.00 0.00 C ATOM 0 H VAL A 15 6.869 -10.397 4.225 1.00 0.00 H new ATOM 0 HA VAL A 15 4.819 -12.117 3.284 1.00 0.00 H new ATOM 0 HB VAL A 15 4.710 -12.774 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.929 -13.837 5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.129 -13.953 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.429 -12.765 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.489 -11.910 7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.969 -10.759 5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.367 -10.625 6.701 1.00 0.00 H new ATOM 248 N TYR A 16 3.925 -9.358 4.676 1.00 0.00 N ATOM 249 CA TYR A 16 2.800 -8.516 5.058 1.00 0.00 C ATOM 250 C TYR A 16 1.971 -8.131 3.837 1.00 0.00 C ATOM 251 O TYR A 16 0.776 -7.858 3.950 1.00 0.00 O ATOM 252 CB TYR A 16 3.293 -7.259 5.779 1.00 0.00 C ATOM 253 CG TYR A 16 3.220 -7.362 7.287 1.00 0.00 C ATOM 254 CD1 TYR A 16 3.554 -8.543 7.938 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.815 -6.280 8.059 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.488 -8.644 9.315 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.746 -6.373 9.437 1.00 0.00 C ATOM 258 CZ TYR A 16 3.084 -7.555 10.059 1.00 0.00 C ATOM 259 OH TYR A 16 3.016 -7.653 11.431 1.00 0.00 O ATOM 0 H TYR A 16 4.805 -8.856 4.557 1.00 0.00 H new ATOM 0 HA TYR A 16 2.167 -9.085 5.738 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.324 -7.062 5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.700 -6.405 5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.871 -9.397 7.358 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.550 -5.352 7.575 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.751 -9.570 9.805 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.429 -5.523 10.023 1.00 0.00 H new ATOM 0 HH TYR A 16 2.715 -6.799 11.805 1.00 0.00 H new ATOM 269 N CYS A 17 2.605 -8.121 2.664 1.00 0.00 N ATOM 270 CA CYS A 17 1.905 -7.785 1.428 1.00 0.00 C ATOM 271 C CYS A 17 0.767 -8.767 1.202 1.00 0.00 C ATOM 272 O CYS A 17 -0.391 -8.380 1.043 1.00 0.00 O ATOM 273 CB CYS A 17 2.855 -7.836 0.227 1.00 0.00 C ATOM 274 SG CYS A 17 4.080 -6.492 0.163 1.00 0.00 S ATOM 0 H CYS A 17 3.594 -8.340 2.546 1.00 0.00 H new ATOM 0 HA CYS A 17 1.514 -6.772 1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.383 -8.789 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.263 -7.812 -0.688 1.00 0.00 H new ATOM 279 N ASP A 18 1.121 -10.045 1.192 1.00 0.00 N ATOM 280 CA ASP A 18 0.149 -11.114 0.984 1.00 0.00 C ATOM 281 C ASP A 18 -0.873 -11.170 2.118 1.00 0.00 C ATOM 282 O ASP A 18 -1.944 -11.760 1.967 1.00 0.00 O ATOM 283 CB ASP A 18 0.869 -12.461 0.866 1.00 0.00 C ATOM 284 CG ASP A 18 1.035 -12.902 -0.574 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.122 -13.572 -1.099 1.00 0.00 O ATOM 286 OD2 ASP A 18 2.078 -12.575 -1.179 1.00 0.00 O ATOM 0 H ASP A 18 2.079 -10.369 1.326 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.386 -10.904 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.850 -12.388 1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.308 -13.219 1.413 1.00 0.00 H new ATOM 291 N ASN A 19 -0.540 -10.561 3.254 1.00 0.00 N ATOM 292 CA ASN A 19 -1.436 -10.553 4.404 1.00 0.00 C ATOM 293 C ASN A 19 -2.660 -9.683 4.134 1.00 0.00 C ATOM 294 O ASN A 19 -3.790 -10.171 4.117 1.00 0.00 O ATOM 295 CB ASN A 19 -0.701 -10.053 5.650 1.00 0.00 C ATOM 296 CG ASN A 19 -0.295 -11.182 6.576 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.565 -11.144 7.776 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.356 -12.198 6.021 1.00 0.00 N ATOM 0 H ASN A 19 0.341 -10.069 3.401 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.772 -11.575 4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.187 -9.499 5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.342 -9.356 6.191 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.653 -12.988 6.594 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.559 -12.189 5.021 1.00 0.00 H new ATOM 305 N ALA A 20 -2.427 -8.392 3.920 1.00 0.00 N ATOM 306 CA ALA A 20 -3.509 -7.453 3.649 1.00 0.00 C ATOM 307 C ALA A 20 -4.352 -7.916 2.466 1.00 0.00 C ATOM 308 O ALA A 20 -5.575 -7.781 2.470 1.00 0.00 O ATOM 309 CB ALA A 20 -2.948 -6.064 3.388 1.00 0.00 C ATOM 0 H ALA A 20 -1.497 -7.972 3.929 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.153 -7.414 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.767 -5.373 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.394 -5.725 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.281 -6.097 2.526 1.00 0.00 H new ATOM 315 N LYS A 21 -3.688 -8.473 1.458 1.00 0.00 N ATOM 316 CA LYS A 21 -4.371 -8.962 0.266 1.00 0.00 C ATOM 317 C LYS A 21 -5.429 -9.998 0.636 1.00 0.00 C ATOM 318 O LYS A 21 -6.583 -9.900 0.218 1.00 0.00 O ATOM 319 CB LYS A 21 -3.360 -9.574 -0.706 1.00 0.00 C ATOM 320 CG LYS A 21 -2.195 -8.652 -1.031 1.00 0.00 C ATOM 321 CD LYS A 21 -2.377 -7.974 -2.382 1.00 0.00 C ATOM 322 CE LYS A 21 -2.569 -6.473 -2.231 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.440 -5.839 -1.497 1.00 0.00 N ATOM 0 H LYS A 21 -2.676 -8.597 1.443 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.866 -8.119 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.973 -10.499 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.872 -9.839 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.102 -7.895 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.267 -9.224 -1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.507 -8.169 -3.008 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.240 -8.403 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.662 -6.018 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.501 -6.278 -1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.811 -5.295 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.795 -6.576 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.924 -5.202 -2.137 1.00 0.00 H new ATOM 337 N ARG A 22 -5.027 -10.987 1.429 1.00 0.00 N ATOM 338 CA ARG A 22 -5.941 -12.039 1.860 1.00 0.00 C ATOM 339 C ARG A 22 -7.088 -11.453 2.675 1.00 0.00 C ATOM 340 O ARG A 22 -8.237 -11.879 2.548 1.00 0.00 O ATOM 341 CB ARG A 22 -5.193 -13.085 2.691 1.00 0.00 C ATOM 342 CG ARG A 22 -5.934 -14.406 2.818 1.00 0.00 C ATOM 343 CD ARG A 22 -5.951 -15.168 1.502 1.00 0.00 C ATOM 344 NE ARG A 22 -4.742 -15.967 1.314 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.642 -15.526 0.705 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.589 -14.291 0.220 1.00 0.00 N ATOM 347 NH2 ARG A 22 -2.590 -16.323 0.581 1.00 0.00 N ATOM 0 H ARG A 22 -4.076 -11.082 1.785 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.353 -12.519 0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.218 -13.267 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.011 -12.683 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.460 -15.017 3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.957 -14.220 3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.824 -15.820 1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.051 -14.463 0.677 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.740 -16.922 1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.394 -13.672 0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.743 -13.961 -0.245 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.623 -17.273 0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.747 -15.987 0.115 1.00 0.00 H new ATOM 361 N LEU A 23 -6.767 -10.467 3.505 1.00 0.00 N ATOM 362 CA LEU A 23 -7.765 -9.808 4.339 1.00 0.00 C ATOM 363 C LEU A 23 -8.855 -9.184 3.476 1.00 0.00 C ATOM 364 O LEU A 23 -10.043 -9.437 3.678 1.00 0.00 O ATOM 365 CB LEU A 23 -7.092 -8.737 5.208 1.00 0.00 C ATOM 366 CG LEU A 23 -8.029 -7.686 5.814 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.399 -7.067 7.052 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.358 -6.608 4.790 1.00 0.00 C ATOM 0 H LEU A 23 -5.820 -10.105 3.618 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.228 -10.552 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.561 -9.235 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.343 -8.224 4.605 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.957 -8.178 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.076 -6.323 7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.211 -7.845 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.457 -6.589 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.024 -5.871 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.439 -6.118 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.847 -7.062 3.928 1.00 0.00 H new ATOM 380 N LEU A 24 -8.442 -8.370 2.510 1.00 0.00 N ATOM 381 CA LEU A 24 -9.380 -7.707 1.612 1.00 0.00 C ATOM 382 C LEU A 24 -10.255 -8.727 0.895 1.00 0.00 C ATOM 383 O LEU A 24 -11.479 -8.600 0.869 1.00 0.00 O ATOM 384 CB LEU A 24 -8.625 -6.858 0.592 1.00 0.00 C ATOM 385 CG LEU A 24 -7.989 -5.588 1.157 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.662 -5.306 0.477 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.930 -4.406 0.994 1.00 0.00 C ATOM 0 H LEU A 24 -7.462 -8.153 2.329 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.022 -7.059 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.843 -7.469 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.312 -6.579 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.804 -5.741 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.226 -4.398 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.984 -6.143 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.822 -5.174 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.462 -3.510 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.144 -4.255 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.859 -4.605 1.528 1.00 0.00 H new ATOM 399 N THR A 25 -9.620 -9.746 0.323 1.00 0.00 N ATOM 400 CA THR A 25 -10.346 -10.794 -0.384 1.00 0.00 C ATOM 401 C THR A 25 -11.415 -11.397 0.523 1.00 0.00 C ATOM 402 O THR A 25 -12.522 -11.703 0.083 1.00 0.00 O ATOM 403 CB THR A 25 -9.385 -11.885 -0.857 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.242 -11.315 -1.467 1.00 0.00 O ATOM 405 CG2 THR A 25 -10.007 -12.842 -1.851 1.00 0.00 C ATOM 0 H THR A 25 -8.607 -9.867 0.336 1.00 0.00 H new ATOM 0 HA THR A 25 -10.829 -10.353 -1.256 1.00 0.00 H new ATOM 0 HB THR A 25 -9.118 -12.443 0.040 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.638 -10.972 -0.775 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.271 -13.590 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.864 -13.336 -1.393 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.335 -12.290 -2.732 1.00 0.00 H new ATOM 413 N VAL A 26 -11.070 -11.546 1.798 1.00 0.00 N ATOM 414 CA VAL A 26 -11.989 -12.095 2.787 1.00 0.00 C ATOM 415 C VAL A 26 -13.004 -11.042 3.220 1.00 0.00 C ATOM 416 O VAL A 26 -14.151 -11.358 3.533 1.00 0.00 O ATOM 417 CB VAL A 26 -11.230 -12.605 4.028 1.00 0.00 C ATOM 418 CG1 VAL A 26 -12.184 -13.249 5.021 1.00 0.00 C ATOM 419 CG2 VAL A 26 -10.138 -13.583 3.619 1.00 0.00 C ATOM 0 H VAL A 26 -10.155 -11.292 2.171 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.509 -12.932 2.321 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.762 -11.750 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.624 -13.601 5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.925 -12.517 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.687 -14.092 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.612 -13.933 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.585 -14.433 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.434 -13.084 2.953 1.00 0.00 H new ATOM 429 N LYS A 27 -12.568 -9.786 3.229 1.00 0.00 N ATOM 430 CA LYS A 27 -13.430 -8.676 3.617 1.00 0.00 C ATOM 431 C LYS A 27 -14.446 -8.361 2.517 1.00 0.00 C ATOM 432 O LYS A 27 -15.433 -7.666 2.756 1.00 0.00 O ATOM 433 CB LYS A 27 -12.585 -7.436 3.923 1.00 0.00 C ATOM 434 CG LYS A 27 -12.654 -6.989 5.376 1.00 0.00 C ATOM 435 CD LYS A 27 -11.407 -7.395 6.145 1.00 0.00 C ATOM 436 CE LYS A 27 -11.754 -7.996 7.499 1.00 0.00 C ATOM 437 NZ LYS A 27 -10.893 -9.168 7.822 1.00 0.00 N ATOM 0 H LYS A 27 -11.620 -9.512 2.971 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.977 -8.966 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.546 -7.643 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.915 -6.616 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.773 -5.906 5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.533 -7.425 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.838 -8.118 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.767 -6.524 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.640 -7.237 8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.800 -8.302 7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.226 -9.611 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.942 -9.859 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.909 -8.853 7.943 1.00 0.00 H new ATOM 451 N LYS A 28 -14.196 -8.877 1.313 1.00 0.00 N ATOM 452 CA LYS A 28 -15.087 -8.654 0.174 1.00 0.00 C ATOM 453 C LYS A 28 -14.911 -7.247 -0.393 1.00 0.00 C ATOM 454 O LYS A 28 -15.887 -6.525 -0.603 1.00 0.00 O ATOM 455 CB LYS A 28 -16.548 -8.879 0.576 1.00 0.00 C ATOM 456 CG LYS A 28 -17.407 -9.442 -0.545 1.00 0.00 C ATOM 457 CD LYS A 28 -17.516 -10.955 -0.455 1.00 0.00 C ATOM 458 CE LYS A 28 -16.154 -11.620 -0.580 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.220 -13.080 -0.295 1.00 0.00 N ATOM 0 H LYS A 28 -13.382 -9.454 1.101 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.822 -9.374 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.582 -9.561 1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.974 -7.933 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.403 -9.001 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.979 -9.163 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.972 -11.232 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.175 -11.321 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.765 -11.464 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.455 -11.147 0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.272 -13.496 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.567 -13.229 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.868 -13.536 -0.969 1.00 0.00 H new ATOM 473 N GLN A 29 -13.664 -6.866 -0.645 1.00 0.00 N ATOM 474 CA GLN A 29 -13.368 -5.549 -1.192 1.00 0.00 C ATOM 475 C GLN A 29 -12.294 -5.631 -2.273 1.00 0.00 C ATOM 476 O GLN A 29 -11.248 -6.249 -2.071 1.00 0.00 O ATOM 477 CB GLN A 29 -12.904 -4.599 -0.082 1.00 0.00 C ATOM 478 CG GLN A 29 -14.042 -3.851 0.594 1.00 0.00 C ATOM 479 CD GLN A 29 -14.649 -4.627 1.745 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.023 -4.800 2.789 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.877 -5.098 1.560 1.00 0.00 N ATOM 0 H GLN A 29 -12.844 -7.450 -0.479 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.284 -5.163 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.359 -5.170 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.205 -3.876 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.674 -2.893 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.817 -3.634 -0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.360 -4.931 0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.337 -5.627 2.301 1.00 0.00 H new ATOM 490 N PRO A 30 -12.526 -4.992 -3.434 1.00 0.00 N ATOM 491 CA PRO A 30 -11.560 -4.986 -4.532 1.00 0.00 C ATOM 492 C PRO A 30 -10.455 -3.972 -4.281 1.00 0.00 C ATOM 493 O PRO A 30 -10.620 -3.072 -3.463 1.00 0.00 O ATOM 494 CB PRO A 30 -12.410 -4.553 -5.722 1.00 0.00 C ATOM 495 CG PRO A 30 -13.403 -3.624 -5.119 1.00 0.00 C ATOM 496 CD PRO A 30 -13.734 -4.207 -3.768 1.00 0.00 C ATOM 0 HA PRO A 30 -11.062 -5.946 -4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.810 -4.058 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.895 -5.404 -6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.992 -2.619 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.294 -3.545 -5.741 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.925 -3.429 -3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.624 -4.835 -3.807 1.00 0.00 H new ATOM 504 N PHE A 31 -9.333 -4.118 -4.975 1.00 0.00 N ATOM 505 CA PHE A 31 -8.217 -3.197 -4.800 1.00 0.00 C ATOM 506 C PHE A 31 -7.247 -3.255 -5.977 1.00 0.00 C ATOM 507 O PHE A 31 -7.358 -4.124 -6.842 1.00 0.00 O ATOM 508 CB PHE A 31 -7.481 -3.498 -3.510 1.00 0.00 C ATOM 509 CG PHE A 31 -7.147 -4.945 -3.367 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.138 -5.856 -3.058 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.856 -5.398 -3.560 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.851 -7.197 -2.941 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.559 -6.740 -3.444 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.557 -7.644 -3.133 1.00 0.00 C ATOM 0 H PHE A 31 -9.172 -4.858 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.630 -2.189 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.563 -2.911 -3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.093 -3.184 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.150 -5.512 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.073 -4.695 -3.804 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.635 -7.899 -2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.547 -7.084 -3.596 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.327 -8.695 -3.040 1.00 0.00 H new ATOM 524 N GLU A 32 -6.287 -2.330 -5.999 1.00 0.00 N ATOM 525 CA GLU A 32 -5.296 -2.285 -7.067 1.00 0.00 C ATOM 526 C GLU A 32 -3.888 -2.120 -6.503 1.00 0.00 C ATOM 527 O GLU A 32 -3.609 -1.172 -5.767 1.00 0.00 O ATOM 528 CB GLU A 32 -5.606 -1.137 -8.031 1.00 0.00 C ATOM 529 CG GLU A 32 -4.624 -1.026 -9.186 1.00 0.00 C ATOM 530 CD GLU A 32 -4.981 -1.935 -10.346 1.00 0.00 C ATOM 531 OE1 GLU A 32 -6.141 -2.396 -10.402 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.104 -2.186 -11.197 1.00 0.00 O ATOM 0 H GLU A 32 -6.177 -1.605 -5.290 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.342 -3.231 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.611 -1.272 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.608 -0.199 -7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.594 0.006 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.623 -1.272 -8.832 1.00 0.00 H new ATOM 539 N PHE A 33 -3.007 -3.049 -6.857 1.00 0.00 N ATOM 540 CA PHE A 33 -1.627 -3.019 -6.401 1.00 0.00 C ATOM 541 C PHE A 33 -0.767 -2.214 -7.363 1.00 0.00 C ATOM 542 O PHE A 33 -1.121 -2.038 -8.528 1.00 0.00 O ATOM 543 CB PHE A 33 -1.087 -4.443 -6.296 1.00 0.00 C ATOM 544 CG PHE A 33 0.071 -4.573 -5.359 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.103 -4.379 -4.003 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.332 -4.890 -5.834 1.00 0.00 C ATOM 547 CE1 PHE A 33 0.962 -4.498 -3.131 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.402 -5.010 -4.967 1.00 0.00 C ATOM 549 CZ PHE A 33 2.216 -4.814 -3.614 1.00 0.00 C ATOM 0 H PHE A 33 -3.229 -3.838 -7.464 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.593 -2.545 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.888 -5.104 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.783 -4.782 -7.286 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.082 -4.132 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.481 -5.045 -6.892 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.814 -4.344 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.382 -5.257 -5.348 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.050 -4.908 -2.934 1.00 0.00 H new ATOM 559 N ILE A 34 0.366 -1.724 -6.871 1.00 0.00 N ATOM 560 CA ILE A 34 1.270 -0.940 -7.694 1.00 0.00 C ATOM 561 C ILE A 34 2.716 -1.146 -7.270 1.00 0.00 C ATOM 562 O ILE A 34 3.077 -0.950 -6.105 1.00 0.00 O ATOM 563 CB ILE A 34 0.946 0.562 -7.631 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.553 0.793 -7.821 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.743 1.321 -8.681 1.00 0.00 C ATOM 566 CD1 ILE A 34 -0.984 2.218 -7.555 1.00 0.00 C ATOM 0 H ILE A 34 0.677 -1.857 -5.909 1.00 0.00 H new ATOM 0 HA ILE A 34 1.134 -1.288 -8.718 1.00 0.00 H new ATOM 0 HB ILE A 34 1.229 0.937 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.827 0.524 -8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.102 0.126 -7.156 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.502 2.383 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.809 1.180 -8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.490 0.945 -9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.059 2.308 -7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.741 2.486 -6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.462 2.889 -8.237 1.00 0.00 H new ATOM 578 N ASN A 35 3.533 -1.533 -8.233 1.00 0.00 N ATOM 579 CA ASN A 35 4.951 -1.760 -7.998 1.00 0.00 C ATOM 580 C ASN A 35 5.670 -0.425 -7.882 1.00 0.00 C ATOM 581 O ASN A 35 5.708 0.357 -8.830 1.00 0.00 O ATOM 582 CB ASN A 35 5.558 -2.591 -9.131 1.00 0.00 C ATOM 583 CG ASN A 35 4.691 -3.779 -9.506 1.00 0.00 C ATOM 584 OD1 ASN A 35 3.862 -4.230 -8.717 1.00 0.00 O ATOM 585 ND2 ASN A 35 4.881 -4.289 -10.717 1.00 0.00 N ATOM 0 H ASN A 35 3.237 -1.698 -9.195 1.00 0.00 H new ATOM 0 HA ASN A 35 5.070 -2.314 -7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.700 -1.958 -10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.544 -2.945 -8.830 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.328 -5.088 -11.026 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.580 -3.882 -11.338 1.00 0.00 H new ATOM 592 N ILE A 36 6.218 -0.162 -6.706 1.00 0.00 N ATOM 593 CA ILE A 36 6.914 1.092 -6.450 1.00 0.00 C ATOM 594 C ILE A 36 8.401 0.996 -6.780 1.00 0.00 C ATOM 595 O ILE A 36 9.069 2.013 -6.965 1.00 0.00 O ATOM 596 CB ILE A 36 6.741 1.525 -4.981 1.00 0.00 C ATOM 597 CG1 ILE A 36 5.349 1.138 -4.477 1.00 0.00 C ATOM 598 CG2 ILE A 36 6.949 3.023 -4.837 1.00 0.00 C ATOM 599 CD1 ILE A 36 4.231 1.846 -5.209 1.00 0.00 C ATOM 0 H ILE A 36 6.195 -0.801 -5.911 1.00 0.00 H new ATOM 0 HA ILE A 36 6.466 1.841 -7.104 1.00 0.00 H new ATOM 0 HB ILE A 36 7.491 1.011 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.218 0.061 -4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.279 1.365 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.823 3.309 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.955 3.284 -5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.219 3.552 -5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.271 1.527 -4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.338 2.923 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.277 1.599 -6.270 1.00 0.00 H new ATOM 611 N MET A 37 8.917 -0.225 -6.856 1.00 0.00 N ATOM 612 CA MET A 37 10.326 -0.435 -7.168 1.00 0.00 C ATOM 613 C MET A 37 10.492 -1.265 -8.440 1.00 0.00 C ATOM 614 O MET A 37 10.664 -2.483 -8.378 1.00 0.00 O ATOM 615 CB MET A 37 11.041 -1.115 -5.995 1.00 0.00 C ATOM 616 CG MET A 37 12.449 -1.595 -6.319 1.00 0.00 C ATOM 617 SD MET A 37 13.678 -1.053 -5.112 1.00 0.00 S ATOM 618 CE MET A 37 12.764 -1.212 -3.576 1.00 0.00 C ATOM 0 H MET A 37 8.384 -1.082 -6.707 1.00 0.00 H new ATOM 0 HA MET A 37 10.779 0.542 -7.338 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.090 -0.417 -5.159 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.446 -1.966 -5.665 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.453 -2.684 -6.368 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.733 -1.230 -7.306 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.462 -1.262 -2.741 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.110 -0.349 -3.451 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.164 -2.121 -3.602 1.00 0.00 H new ATOM 628 N PRO A 38 10.448 -0.611 -9.612 1.00 0.00 N ATOM 629 CA PRO A 38 10.606 -1.293 -10.900 1.00 0.00 C ATOM 630 C PRO A 38 12.029 -1.803 -11.103 1.00 0.00 C ATOM 631 O PRO A 38 12.281 -2.648 -11.962 1.00 0.00 O ATOM 632 CB PRO A 38 10.275 -0.204 -11.924 1.00 0.00 C ATOM 633 CG PRO A 38 10.574 1.076 -11.225 1.00 0.00 C ATOM 634 CD PRO A 38 10.253 0.841 -9.774 1.00 0.00 C ATOM 0 HA PRO A 38 9.969 -2.174 -10.980 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.877 -0.313 -12.826 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.230 -0.253 -12.230 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.620 1.355 -11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.974 1.891 -11.630 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.913 1.411 -9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.232 1.138 -9.535 1.00 0.00 H new ATOM 642 N GLU A 39 12.956 -1.283 -10.302 1.00 0.00 N ATOM 643 CA GLU A 39 14.354 -1.679 -10.382 1.00 0.00 C ATOM 644 C GLU A 39 14.952 -1.801 -8.986 1.00 0.00 C ATOM 645 O GLU A 39 14.719 -0.952 -8.126 1.00 0.00 O ATOM 646 CB GLU A 39 15.155 -0.672 -11.213 1.00 0.00 C ATOM 647 CG GLU A 39 14.781 0.778 -10.951 1.00 0.00 C ATOM 648 CD GLU A 39 15.124 1.688 -12.114 1.00 0.00 C ATOM 649 OE1 GLU A 39 16.125 1.412 -12.809 1.00 0.00 O ATOM 650 OE2 GLU A 39 14.393 2.678 -12.330 1.00 0.00 O ATOM 0 H GLU A 39 12.759 -0.583 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 39 14.406 -2.651 -10.873 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.216 -0.807 -11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.008 -0.890 -12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.712 0.842 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.298 1.127 -10.057 1.00 0.00 H new ATOM 657 N LYS A 40 15.724 -2.861 -8.764 1.00 0.00 N ATOM 658 CA LYS A 40 16.349 -3.090 -7.463 1.00 0.00 C ATOM 659 C LYS A 40 17.263 -1.942 -7.061 1.00 0.00 C ATOM 660 O LYS A 40 17.738 -1.873 -5.928 1.00 0.00 O ATOM 661 CB LYS A 40 17.117 -4.412 -7.453 1.00 0.00 C ATOM 662 CG LYS A 40 18.337 -4.414 -8.361 1.00 0.00 C ATOM 663 CD LYS A 40 18.097 -5.238 -9.617 1.00 0.00 C ATOM 664 CE LYS A 40 18.531 -6.682 -9.426 1.00 0.00 C ATOM 665 NZ LYS A 40 18.023 -7.250 -8.148 1.00 0.00 N ATOM 0 H LYS A 40 15.932 -3.573 -9.464 1.00 0.00 H new ATOM 0 HA LYS A 40 15.547 -3.145 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.433 -4.631 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.446 -5.215 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.587 -3.390 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 40 19.194 -4.815 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.039 -5.206 -9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.644 -4.800 -10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.169 -7.283 -10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.619 -6.739 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.268 -8.259 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.456 -6.746 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.989 -7.142 -8.107 1.00 0.00 H new ATOM 679 N GLY A 41 17.488 -1.049 -7.995 1.00 0.00 N ATOM 680 CA GLY A 41 18.332 0.101 -7.750 1.00 0.00 C ATOM 681 C GLY A 41 17.634 1.163 -6.921 1.00 0.00 C ATOM 682 O GLY A 41 18.095 1.514 -5.836 1.00 0.00 O ATOM 0 H GLY A 41 17.098 -1.095 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.239 -0.220 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.640 0.532 -8.703 1.00 0.00 H new ATOM 686 N VAL A 42 16.516 1.675 -7.433 1.00 0.00 N ATOM 687 CA VAL A 42 15.764 2.706 -6.727 1.00 0.00 C ATOM 688 C VAL A 42 14.273 2.642 -7.048 1.00 0.00 C ATOM 689 O VAL A 42 13.874 2.174 -8.114 1.00 0.00 O ATOM 690 CB VAL A 42 16.288 4.113 -7.072 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.640 5.160 -6.178 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.804 4.163 -6.949 1.00 0.00 C ATOM 0 H VAL A 42 16.115 1.394 -8.328 1.00 0.00 H new ATOM 0 HA VAL A 42 15.904 2.515 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 42 16.021 4.336 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.023 6.147 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.559 5.141 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.873 4.943 -5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.156 5.164 -7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.094 3.918 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.249 3.442 -7.635 1.00 0.00 H new ATOM 702 N PHE A 43 13.453 3.133 -6.120 1.00 0.00 N ATOM 703 CA PHE A 43 12.001 3.148 -6.308 1.00 0.00 C ATOM 704 C PHE A 43 11.626 4.048 -7.484 1.00 0.00 C ATOM 705 O PHE A 43 12.465 4.775 -8.013 1.00 0.00 O ATOM 706 CB PHE A 43 11.269 3.630 -5.044 1.00 0.00 C ATOM 707 CG PHE A 43 12.065 3.518 -3.771 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.729 2.345 -3.451 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.146 4.590 -2.899 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.459 2.245 -2.282 1.00 0.00 C ATOM 711 CE2 PHE A 43 12.875 4.496 -1.729 1.00 0.00 C ATOM 712 CZ PHE A 43 13.533 3.322 -1.420 1.00 0.00 C ATOM 0 H PHE A 43 13.767 3.525 -5.232 1.00 0.00 H new ATOM 0 HA PHE A 43 11.691 2.124 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.979 4.671 -5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.349 3.055 -4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.676 1.500 -4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.633 5.511 -3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.972 1.325 -2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.930 5.340 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.104 3.246 -0.507 1.00 0.00 H new ATOM 722 N ASP A 44 10.358 3.999 -7.883 1.00 0.00 N ATOM 723 CA ASP A 44 9.871 4.812 -8.995 1.00 0.00 C ATOM 724 C ASP A 44 9.377 6.170 -8.505 1.00 0.00 C ATOM 725 O ASP A 44 8.266 6.288 -7.990 1.00 0.00 O ATOM 726 CB ASP A 44 8.742 4.085 -9.730 1.00 0.00 C ATOM 727 CG ASP A 44 8.707 4.422 -11.208 1.00 0.00 C ATOM 728 OD1 ASP A 44 9.660 4.049 -11.925 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.728 5.059 -11.649 1.00 0.00 O ATOM 0 H ASP A 44 9.649 3.405 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 44 10.702 4.973 -9.682 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.866 3.009 -9.608 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.787 4.350 -9.277 1.00 0.00 H new ATOM 734 N ASP A 45 10.208 7.196 -8.672 1.00 0.00 N ATOM 735 CA ASP A 45 9.858 8.548 -8.247 1.00 0.00 C ATOM 736 C ASP A 45 8.507 8.980 -8.813 1.00 0.00 C ATOM 737 O ASP A 45 7.809 9.800 -8.215 1.00 0.00 O ATOM 738 CB ASP A 45 10.941 9.536 -8.685 1.00 0.00 C ATOM 739 CG ASP A 45 12.239 9.347 -7.922 1.00 0.00 C ATOM 740 OD1 ASP A 45 12.238 9.553 -6.691 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.255 8.994 -8.557 1.00 0.00 O ATOM 0 H ASP A 45 11.131 7.116 -9.100 1.00 0.00 H new ATOM 0 HA ASP A 45 9.786 8.545 -7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.129 9.415 -9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.581 10.554 -8.538 1.00 0.00 H new ATOM 746 N GLU A 46 8.140 8.427 -9.965 1.00 0.00 N ATOM 747 CA GLU A 46 6.870 8.762 -10.598 1.00 0.00 C ATOM 748 C GLU A 46 5.705 8.373 -9.698 1.00 0.00 C ATOM 749 O GLU A 46 4.889 9.216 -9.316 1.00 0.00 O ATOM 750 CB GLU A 46 6.744 8.058 -11.950 1.00 0.00 C ATOM 751 CG GLU A 46 7.946 8.262 -12.858 1.00 0.00 C ATOM 752 CD GLU A 46 7.576 8.249 -14.328 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.379 8.420 -14.641 1.00 0.00 O ATOM 754 OE2 GLU A 46 8.483 8.070 -15.167 1.00 0.00 O ATOM 0 H GLU A 46 8.702 7.747 -10.477 1.00 0.00 H new ATOM 0 HA GLU A 46 6.843 9.840 -10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.603 6.990 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.850 8.421 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.423 9.212 -12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.679 7.479 -12.665 1.00 0.00 H new ATOM 761 N LYS A 47 5.639 7.094 -9.352 1.00 0.00 N ATOM 762 CA LYS A 47 4.583 6.593 -8.484 1.00 0.00 C ATOM 763 C LYS A 47 4.704 7.208 -7.095 1.00 0.00 C ATOM 764 O LYS A 47 3.704 7.447 -6.418 1.00 0.00 O ATOM 765 CB LYS A 47 4.646 5.067 -8.391 1.00 0.00 C ATOM 766 CG LYS A 47 4.804 4.382 -9.739 1.00 0.00 C ATOM 767 CD LYS A 47 3.578 3.556 -10.096 1.00 0.00 C ATOM 768 CE LYS A 47 3.321 3.558 -11.594 1.00 0.00 C ATOM 769 NZ LYS A 47 2.762 2.260 -12.063 1.00 0.00 N ATOM 0 H LYS A 47 6.305 6.385 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 47 3.621 6.877 -8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.480 4.784 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.737 4.703 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.975 5.132 -10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.684 3.739 -9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.715 2.531 -9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.706 3.953 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.629 4.362 -11.843 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.252 3.764 -12.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.601 2.302 -13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.434 1.495 -11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.861 2.075 -11.578 1.00 0.00 H new ATOM 783 N ILE A 48 5.940 7.468 -6.683 1.00 0.00 N ATOM 784 CA ILE A 48 6.207 8.063 -5.381 1.00 0.00 C ATOM 785 C ILE A 48 5.745 9.517 -5.351 1.00 0.00 C ATOM 786 O ILE A 48 5.235 9.997 -4.338 1.00 0.00 O ATOM 787 CB ILE A 48 7.712 8.000 -5.040 1.00 0.00 C ATOM 788 CG1 ILE A 48 8.158 6.547 -4.875 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.019 8.796 -3.777 1.00 0.00 C ATOM 790 CD1 ILE A 48 7.397 5.803 -3.803 1.00 0.00 C ATOM 0 H ILE A 48 6.775 7.275 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 48 5.652 7.491 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 48 8.267 8.447 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.035 6.027 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.221 6.526 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.085 8.735 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.738 9.838 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.454 8.384 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.765 4.779 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.541 6.300 -2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.336 5.793 -4.051 1.00 0.00 H new ATOM 802 N ALA A 49 5.928 10.213 -6.469 1.00 0.00 N ATOM 803 CA ALA A 49 5.530 11.611 -6.571 1.00 0.00 C ATOM 804 C ALA A 49 4.046 11.770 -6.266 1.00 0.00 C ATOM 805 O ALA A 49 3.653 12.595 -5.442 1.00 0.00 O ATOM 806 CB ALA A 49 5.850 12.153 -7.956 1.00 0.00 C ATOM 0 H ALA A 49 6.349 9.831 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 49 6.094 12.184 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.547 13.198 -8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.922 12.075 -8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.311 11.575 -8.706 1.00 0.00 H new ATOM 812 N GLU A 50 3.226 10.963 -6.932 1.00 0.00 N ATOM 813 CA GLU A 50 1.785 11.004 -6.724 1.00 0.00 C ATOM 814 C GLU A 50 1.448 10.649 -5.281 1.00 0.00 C ATOM 815 O GLU A 50 0.498 11.180 -4.704 1.00 0.00 O ATOM 816 CB GLU A 50 1.082 10.038 -7.684 1.00 0.00 C ATOM 817 CG GLU A 50 -0.375 9.768 -7.332 1.00 0.00 C ATOM 818 CD GLU A 50 -1.308 9.957 -8.512 1.00 0.00 C ATOM 819 OE1 GLU A 50 -0.822 9.945 -9.662 1.00 0.00 O ATOM 820 OE2 GLU A 50 -2.526 10.116 -8.286 1.00 0.00 O ATOM 0 H GLU A 50 3.535 10.275 -7.618 1.00 0.00 H new ATOM 0 HA GLU A 50 1.434 12.016 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.132 10.445 -8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.624 9.093 -7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.471 8.749 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.678 10.434 -6.524 1.00 0.00 H new ATOM 827 N LEU A 51 2.238 9.752 -4.700 1.00 0.00 N ATOM 828 CA LEU A 51 2.029 9.323 -3.328 1.00 0.00 C ATOM 829 C LEU A 51 2.104 10.517 -2.383 1.00 0.00 C ATOM 830 O LEU A 51 1.195 10.752 -1.587 1.00 0.00 O ATOM 831 CB LEU A 51 3.080 8.276 -2.948 1.00 0.00 C ATOM 832 CG LEU A 51 2.709 7.373 -1.775 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.713 6.241 -1.631 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.618 8.163 -0.491 1.00 0.00 C ATOM 0 H LEU A 51 3.031 9.308 -5.163 1.00 0.00 H new ATOM 0 HA LEU A 51 1.038 8.878 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.276 7.650 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.011 8.790 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 51 1.729 6.943 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.430 5.609 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.724 5.646 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.706 6.655 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.352 7.496 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.581 8.629 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.855 8.935 -0.592 1.00 0.00 H new ATOM 846 N LEU A 52 3.191 11.279 -2.486 1.00 0.00 N ATOM 847 CA LEU A 52 3.391 12.453 -1.654 1.00 0.00 C ATOM 848 C LEU A 52 2.201 13.402 -1.728 1.00 0.00 C ATOM 849 O LEU A 52 1.769 13.956 -0.717 1.00 0.00 O ATOM 850 CB LEU A 52 4.648 13.149 -2.088 1.00 0.00 C ATOM 851 CG LEU A 52 5.894 12.344 -1.786 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.088 13.080 -2.292 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.011 12.075 -0.295 1.00 0.00 C ATOM 0 H LEU A 52 3.949 11.098 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 52 3.484 12.135 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.598 13.346 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.715 14.116 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 52 5.832 11.379 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.988 12.504 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.998 13.224 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.152 14.051 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.913 11.495 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.065 13.022 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.139 11.515 0.043 1.00 0.00 H new ATOM 865 N THR A 53 1.673 13.580 -2.933 1.00 0.00 N ATOM 866 CA THR A 53 0.528 14.458 -3.144 1.00 0.00 C ATOM 867 C THR A 53 -0.659 14.004 -2.301 1.00 0.00 C ATOM 868 O THR A 53 -1.298 14.810 -1.625 1.00 0.00 O ATOM 869 CB THR A 53 0.141 14.482 -4.623 1.00 0.00 C ATOM 870 OG1 THR A 53 1.269 14.766 -5.432 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.925 15.506 -4.946 1.00 0.00 C ATOM 0 H THR A 53 2.019 13.128 -3.779 1.00 0.00 H new ATOM 0 HA THR A 53 0.809 15.465 -2.837 1.00 0.00 H new ATOM 0 HB THR A 53 -0.256 13.489 -4.834 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.001 14.775 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.153 15.470 -6.011 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.827 15.285 -4.375 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.565 16.501 -4.685 1.00 0.00 H new ATOM 879 N LYS A 54 -0.947 12.707 -2.346 1.00 0.00 N ATOM 880 CA LYS A 54 -2.055 12.142 -1.584 1.00 0.00 C ATOM 881 C LYS A 54 -1.839 12.340 -0.087 1.00 0.00 C ATOM 882 O LYS A 54 -2.793 12.524 0.669 1.00 0.00 O ATOM 883 CB LYS A 54 -2.212 10.653 -1.900 1.00 0.00 C ATOM 884 CG LYS A 54 -2.424 10.364 -3.378 1.00 0.00 C ATOM 885 CD LYS A 54 -1.808 9.034 -3.779 1.00 0.00 C ATOM 886 CE LYS A 54 -2.839 7.917 -3.769 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.459 7.720 -5.109 1.00 0.00 N ATOM 0 H LYS A 54 -0.428 12.027 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.968 12.663 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.324 10.122 -1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.057 10.257 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.491 10.353 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.984 11.164 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.372 9.119 -4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.996 8.787 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.366 6.989 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.616 8.147 -3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.156 6.950 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.933 8.597 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.721 7.475 -5.800 1.00 0.00 H new ATOM 901 N LEU A 55 -0.578 12.305 0.334 1.00 0.00 N ATOM 902 CA LEU A 55 -0.234 12.485 1.741 1.00 0.00 C ATOM 903 C LEU A 55 -0.705 13.844 2.243 1.00 0.00 C ATOM 904 O LEU A 55 -1.429 13.936 3.235 1.00 0.00 O ATOM 905 CB LEU A 55 1.276 12.350 1.936 1.00 0.00 C ATOM 906 CG LEU A 55 1.852 10.955 1.659 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.989 10.658 2.612 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.780 9.883 1.785 1.00 0.00 C ATOM 0 H LEU A 55 0.223 12.154 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.739 11.710 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.775 13.067 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.519 12.628 2.961 1.00 0.00 H new ATOM 0 HG LEU A 55 2.228 10.946 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.388 9.665 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.776 11.400 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.623 10.694 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.218 8.905 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.370 9.896 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.017 10.079 1.067 1.00 0.00 H new ATOM 920 N GLY A 56 -0.294 14.898 1.546 1.00 0.00 N ATOM 921 CA GLY A 56 -0.678 16.245 1.928 1.00 0.00 C ATOM 922 C GLY A 56 0.142 17.299 1.211 1.00 0.00 C ATOM 923 O GLY A 56 0.036 17.456 -0.005 1.00 0.00 O ATOM 0 H GLY A 56 0.301 14.843 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.735 16.396 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.558 16.364 3.005 1.00 0.00 H new ATOM 927 N ARG A 57 0.966 18.018 1.966 1.00 0.00 N ATOM 928 CA ARG A 57 1.817 19.058 1.397 1.00 0.00 C ATOM 929 C ARG A 57 3.097 19.205 2.207 1.00 0.00 C ATOM 930 O ARG A 57 3.666 20.292 2.304 1.00 0.00 O ATOM 931 CB ARG A 57 1.070 20.391 1.341 1.00 0.00 C ATOM 932 CG ARG A 57 0.552 20.856 2.693 1.00 0.00 C ATOM 933 CD ARG A 57 -0.596 21.840 2.542 1.00 0.00 C ATOM 934 NE ARG A 57 -0.130 23.225 2.522 1.00 0.00 N ATOM 935 CZ ARG A 57 -0.933 24.279 2.641 1.00 0.00 C ATOM 936 NH1 ARG A 57 -2.242 24.112 2.789 1.00 0.00 N ATOM 937 NH2 ARG A 57 -0.428 25.505 2.611 1.00 0.00 N ATOM 0 H ARG A 57 1.063 17.900 2.974 1.00 0.00 H new ATOM 0 HA ARG A 57 2.082 18.765 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.734 21.153 0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.231 20.299 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.220 19.994 3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.362 21.324 3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.138 21.626 1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.299 21.706 3.364 1.00 0.00 H new ATOM 0 HE ARG A 57 0.870 23.393 2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.637 23.172 2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.853 24.924 2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.577 25.640 2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.044 26.313 2.702 1.00 0.00 H new ATOM 951 N ASP A 58 3.542 18.096 2.783 1.00 0.00 N ATOM 952 CA ASP A 58 4.755 18.078 3.590 1.00 0.00 C ATOM 953 C ASP A 58 5.772 17.091 3.002 1.00 0.00 C ATOM 954 O ASP A 58 5.896 16.977 1.783 1.00 0.00 O ATOM 955 CB ASP A 58 4.405 17.719 5.040 1.00 0.00 C ATOM 956 CG ASP A 58 3.910 16.291 5.188 1.00 0.00 C ATOM 957 OD1 ASP A 58 3.825 15.582 4.164 1.00 0.00 O ATOM 958 OD2 ASP A 58 3.609 15.884 6.330 1.00 0.00 O ATOM 0 H ASP A 58 3.077 17.191 2.705 1.00 0.00 H new ATOM 0 HA ASP A 58 5.210 19.068 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.285 17.861 5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.640 18.404 5.405 1.00 0.00 H new ATOM 963 N THR A 59 6.497 16.381 3.866 1.00 0.00 N ATOM 964 CA THR A 59 7.490 15.415 3.417 1.00 0.00 C ATOM 965 C THR A 59 7.111 14.007 3.864 1.00 0.00 C ATOM 966 O THR A 59 6.189 13.825 4.659 1.00 0.00 O ATOM 967 CB THR A 59 8.872 15.780 3.960 1.00 0.00 C ATOM 968 OG1 THR A 59 9.819 14.777 3.637 1.00 0.00 O ATOM 969 CG2 THR A 59 8.895 15.968 5.461 1.00 0.00 C ATOM 0 H THR A 59 6.413 16.459 4.880 1.00 0.00 H new ATOM 0 HA THR A 59 7.520 15.439 2.328 1.00 0.00 H new ATOM 0 HB THR A 59 9.126 16.729 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.697 15.030 3.991 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.905 16.225 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.212 16.771 5.738 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.585 15.044 5.948 1.00 0.00 H new ATOM 977 N GLN A 60 7.828 13.013 3.352 1.00 0.00 N ATOM 978 CA GLN A 60 7.566 11.627 3.702 1.00 0.00 C ATOM 979 C GLN A 60 7.959 11.363 5.146 1.00 0.00 C ATOM 980 O GLN A 60 9.127 11.140 5.461 1.00 0.00 O ATOM 981 CB GLN A 60 8.329 10.684 2.774 1.00 0.00 C ATOM 982 CG GLN A 60 9.830 10.924 2.758 1.00 0.00 C ATOM 983 CD GLN A 60 10.435 10.738 1.380 1.00 0.00 C ATOM 984 OE1 GLN A 60 10.623 9.613 0.919 1.00 0.00 O ATOM 985 NE2 GLN A 60 10.745 11.845 0.716 1.00 0.00 N ATOM 0 H GLN A 60 8.595 13.144 2.693 1.00 0.00 H new ATOM 0 HA GLN A 60 6.498 11.442 3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.138 9.655 3.079 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.942 10.793 1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.036 11.935 3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.311 10.240 3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.572 12.758 1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.157 11.783 -0.215 1.00 0.00 H new ATOM 994 N ILE A 61 6.964 11.395 6.011 1.00 0.00 N ATOM 995 CA ILE A 61 7.166 11.170 7.437 1.00 0.00 C ATOM 996 C ILE A 61 7.275 9.686 7.756 1.00 0.00 C ATOM 997 O ILE A 61 6.281 9.036 8.083 1.00 0.00 O ATOM 998 CB ILE A 61 6.025 11.781 8.271 1.00 0.00 C ATOM 999 CG1 ILE A 61 4.667 11.330 7.728 1.00 0.00 C ATOM 1000 CG2 ILE A 61 6.123 13.299 8.272 1.00 0.00 C ATOM 1001 CD1 ILE A 61 3.652 11.034 8.809 1.00 0.00 C ATOM 0 H ILE A 61 5.995 11.577 5.751 1.00 0.00 H new ATOM 0 HA ILE A 61 8.103 11.661 7.700 1.00 0.00 H new ATOM 0 HB ILE A 61 6.119 11.430 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.271 12.105 7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.807 10.437 7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.309 13.716 8.866 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.078 13.602 8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.052 13.669 7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.714 10.720 8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.027 10.237 9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.483 11.931 9.405 1.00 0.00 H new ATOM 1013 N GLY A 62 8.488 9.160 7.665 1.00 0.00 N ATOM 1014 CA GLY A 62 8.709 7.756 7.953 1.00 0.00 C ATOM 1015 C GLY A 62 7.916 6.849 7.036 1.00 0.00 C ATOM 1016 O GLY A 62 7.515 5.754 7.432 1.00 0.00 O ATOM 0 H GLY A 62 9.324 9.680 7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.771 7.530 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.435 7.552 8.988 1.00 0.00 H new ATOM 1020 N LEU A 63 7.687 7.310 5.808 1.00 0.00 N ATOM 1021 CA LEU A 63 6.933 6.540 4.817 1.00 0.00 C ATOM 1022 C LEU A 63 7.316 5.063 4.853 1.00 0.00 C ATOM 1023 O LEU A 63 8.496 4.715 4.815 1.00 0.00 O ATOM 1024 CB LEU A 63 7.170 7.108 3.414 1.00 0.00 C ATOM 1025 CG LEU A 63 5.998 7.898 2.826 1.00 0.00 C ATOM 1026 CD1 LEU A 63 4.901 6.955 2.358 1.00 0.00 C ATOM 1027 CD2 LEU A 63 5.455 8.889 3.845 1.00 0.00 C ATOM 0 H LEU A 63 8.014 8.216 5.473 1.00 0.00 H new ATOM 0 HA LEU A 63 5.875 6.622 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.046 7.756 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.407 6.284 2.741 1.00 0.00 H new ATOM 0 HG LEU A 63 6.359 8.459 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.076 7.534 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.297 6.288 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.542 6.366 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.623 9.441 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.110 8.351 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.243 9.586 4.130 1.00 0.00 H new ATOM 1039 N THR A 64 6.309 4.200 4.932 1.00 0.00 N ATOM 1040 CA THR A 64 6.542 2.762 4.980 1.00 0.00 C ATOM 1041 C THR A 64 5.741 2.033 3.905 1.00 0.00 C ATOM 1042 O THR A 64 4.692 2.505 3.468 1.00 0.00 O ATOM 1043 CB THR A 64 6.178 2.214 6.361 1.00 0.00 C ATOM 1044 OG1 THR A 64 6.328 3.214 7.353 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.019 1.027 6.776 1.00 0.00 C ATOM 0 H THR A 64 5.326 4.471 4.964 1.00 0.00 H new ATOM 0 HA THR A 64 7.601 2.589 4.790 1.00 0.00 H new ATOM 0 HB THR A 64 5.140 1.892 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.089 2.845 8.229 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.708 0.689 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.886 0.218 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.069 1.318 6.805 1.00 0.00 H new ATOM 1053 N MET A 65 6.245 0.876 3.491 1.00 0.00 N ATOM 1054 CA MET A 65 5.582 0.073 2.475 1.00 0.00 C ATOM 1055 C MET A 65 5.082 -1.242 3.070 1.00 0.00 C ATOM 1056 O MET A 65 5.706 -1.795 3.975 1.00 0.00 O ATOM 1057 CB MET A 65 6.539 -0.209 1.314 1.00 0.00 C ATOM 1058 CG MET A 65 7.123 1.048 0.689 1.00 0.00 C ATOM 1059 SD MET A 65 6.390 1.436 -0.913 1.00 0.00 S ATOM 1060 CE MET A 65 6.945 3.123 -1.141 1.00 0.00 C ATOM 0 H MET A 65 7.113 0.474 3.845 1.00 0.00 H new ATOM 0 HA MET A 65 4.725 0.634 2.101 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.353 -0.840 1.670 1.00 0.00 H new ATOM 0 HB3 MET A 65 6.010 -0.774 0.547 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.972 1.889 1.366 1.00 0.00 H new ATOM 0 HG3 MET A 65 8.199 0.923 0.571 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.181 3.689 -1.674 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.124 3.582 -0.169 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.869 3.127 -1.720 1.00 0.00 H new ATOM 1070 N PRO A 66 3.943 -1.760 2.577 1.00 0.00 N ATOM 1071 CA PRO A 66 3.163 -1.146 1.506 1.00 0.00 C ATOM 1072 C PRO A 66 2.199 -0.082 2.020 1.00 0.00 C ATOM 1073 O PRO A 66 1.489 -0.298 3.003 1.00 0.00 O ATOM 1074 CB PRO A 66 2.379 -2.327 0.908 1.00 0.00 C ATOM 1075 CG PRO A 66 2.724 -3.522 1.744 1.00 0.00 C ATOM 1076 CD PRO A 66 3.320 -3.002 3.019 1.00 0.00 C ATOM 0 HA PRO A 66 3.802 -0.630 0.789 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.307 -2.133 0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.653 -2.489 -0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.836 -4.120 1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.430 -4.168 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.562 -2.829 3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.047 -3.695 3.442 1.00 0.00 H new ATOM 1084 N GLN A 67 2.164 1.060 1.338 1.00 0.00 N ATOM 1085 CA GLN A 67 1.271 2.145 1.719 1.00 0.00 C ATOM 1086 C GLN A 67 -0.064 1.995 1.003 1.00 0.00 C ATOM 1087 O GLN A 67 -0.106 1.739 -0.197 1.00 0.00 O ATOM 1088 CB GLN A 67 1.901 3.497 1.382 1.00 0.00 C ATOM 1089 CG GLN A 67 1.412 4.633 2.266 1.00 0.00 C ATOM 1090 CD GLN A 67 2.029 4.603 3.650 1.00 0.00 C ATOM 1091 OE1 GLN A 67 3.029 5.273 3.911 1.00 0.00 O ATOM 1092 NE2 GLN A 67 1.435 3.825 4.547 1.00 0.00 N ATOM 0 H GLN A 67 2.743 1.255 0.521 1.00 0.00 H new ATOM 0 HA GLN A 67 1.103 2.099 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.984 3.417 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.686 3.739 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.645 5.585 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.327 4.578 2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.608 3.287 4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.805 3.765 5.496 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.157 2.134 1.737 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.474 1.991 1.138 1.00 0.00 C ATOM 1103 C VAL A 68 -3.184 3.330 1.005 1.00 0.00 C ATOM 1104 O VAL A 68 -2.888 4.285 1.725 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.365 1.017 1.933 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.555 0.583 1.091 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.564 -0.194 2.394 1.00 0.00 C ATOM 0 H VAL A 68 -1.160 2.343 2.735 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.309 1.580 0.142 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.736 1.534 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.176 -0.105 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.143 1.458 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.200 0.084 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.213 -0.868 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.161 -0.715 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.744 0.134 3.033 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.127 3.387 0.072 1.00 0.00 N ATOM 1118 CA PHE A 69 -4.888 4.603 -0.175 1.00 0.00 C ATOM 1119 C PHE A 69 -6.336 4.272 -0.510 1.00 0.00 C ATOM 1120 O PHE A 69 -6.614 3.348 -1.275 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.256 5.390 -1.320 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.080 6.213 -0.893 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.261 7.502 -0.424 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.794 5.697 -0.954 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.182 8.265 -0.023 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.712 6.454 -0.555 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.906 7.739 -0.090 1.00 0.00 C ATOM 0 H PHE A 69 -4.383 2.602 -0.527 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.872 5.210 0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.941 4.696 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.008 6.044 -1.761 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.257 7.916 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.638 4.692 -1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.335 9.270 0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.285 6.042 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.060 8.334 0.222 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.257 5.030 0.076 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.682 4.819 -0.149 1.00 0.00 C ATOM 1139 C ALA A 70 -9.009 4.771 -1.641 1.00 0.00 C ATOM 1140 O ALA A 70 -8.353 5.427 -2.450 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.490 5.913 0.534 1.00 0.00 C ATOM 0 H ALA A 70 -7.041 5.798 0.712 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.951 3.855 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.552 5.744 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.292 5.896 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.205 6.883 0.128 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.043 4.000 -2.024 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.464 3.877 -3.423 1.00 0.00 C ATOM 1149 C PRO A 71 -11.077 5.170 -3.955 1.00 0.00 C ATOM 1150 O PRO A 71 -11.280 5.322 -5.159 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.509 2.754 -3.401 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.437 2.147 -2.037 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.890 3.204 -1.128 1.00 0.00 C ATOM 0 HA PRO A 71 -9.621 3.666 -4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.506 3.146 -3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.298 2.011 -4.170 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.423 1.822 -1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.795 1.266 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.683 3.804 -0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.317 2.774 -0.307 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.359 6.104 -3.049 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.941 7.389 -3.422 1.00 0.00 C ATOM 1163 C ASP A 72 -10.905 8.508 -3.325 1.00 0.00 C ATOM 1164 O ASP A 72 -11.079 9.578 -3.908 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.137 7.708 -2.525 1.00 0.00 C ATOM 1166 CG ASP A 72 -12.774 7.698 -1.053 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -12.840 6.616 -0.433 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -12.423 8.772 -0.520 1.00 0.00 O ATOM 0 H ASP A 72 -11.193 5.993 -2.049 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.277 7.320 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.537 8.686 -2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.928 6.980 -2.706 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.826 8.256 -2.586 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.786 9.256 -2.432 1.00 0.00 C ATOM 1175 C GLY A 73 -8.586 9.672 -0.988 1.00 0.00 C ATOM 1176 O GLY A 73 -9.159 10.662 -0.534 1.00 0.00 O ATOM 0 H GLY A 73 -9.655 7.379 -2.093 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.849 8.864 -2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.040 10.133 -3.027 1.00 0.00 H new ATOM 1180 N SER A 74 -7.771 8.912 -0.261 1.00 0.00 N ATOM 1181 CA SER A 74 -7.494 9.208 1.142 1.00 0.00 C ATOM 1182 C SER A 74 -6.526 8.185 1.732 1.00 0.00 C ATOM 1183 O SER A 74 -6.830 6.995 1.797 1.00 0.00 O ATOM 1184 CB SER A 74 -8.794 9.225 1.951 1.00 0.00 C ATOM 1185 OG SER A 74 -9.842 8.578 1.249 1.00 0.00 O ATOM 0 H SER A 74 -7.291 8.087 -0.620 1.00 0.00 H new ATOM 0 HA SER A 74 -7.031 10.193 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.636 8.731 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.078 10.255 2.166 1.00 0.00 H new ATOM 0 HG SER A 74 -10.375 8.045 1.875 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.359 8.657 2.159 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.346 7.783 2.742 1.00 0.00 C ATOM 1193 C HIS A 75 -4.893 7.053 3.965 1.00 0.00 C ATOM 1194 O HIS A 75 -5.241 7.676 4.967 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.108 8.592 3.131 1.00 0.00 C ATOM 1196 CG HIS A 75 -1.965 7.750 3.604 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.250 8.001 4.754 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.411 6.637 3.056 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.305 7.057 4.867 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.361 6.204 3.861 1.00 0.00 N ATOM 0 H HIS A 75 -5.091 9.640 2.112 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.069 7.042 1.993 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.784 9.180 2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.378 9.298 3.917 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.411 8.770 5.405 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.734 6.163 2.141 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.409 7.002 5.675 1.00 0.00 H new ATOM 1208 N ILE A 76 -4.963 5.728 3.877 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.464 4.914 4.980 1.00 0.00 C ATOM 1210 C ILE A 76 -4.322 4.470 5.888 1.00 0.00 C ATOM 1211 O ILE A 76 -4.416 4.562 7.112 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.220 3.671 4.466 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.391 4.092 3.578 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.711 2.818 5.628 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.693 3.106 2.472 1.00 0.00 C ATOM 0 H ILE A 76 -4.680 5.196 3.054 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.157 5.534 5.548 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.530 3.071 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.280 4.216 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.171 5.064 3.137 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.241 1.947 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.859 2.490 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.385 3.406 6.252 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.535 3.468 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.818 3.000 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.944 2.138 2.906 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.246 3.986 5.279 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.102 3.537 6.047 1.00 0.00 C ATOM 1229 C GLY A 77 -1.551 2.218 5.548 1.00 0.00 C ATOM 1230 O GLY A 77 -1.740 1.857 4.387 1.00 0.00 O ATOM 0 H GLY A 77 -3.146 3.897 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.319 4.294 6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.388 3.435 7.094 1.00 0.00 H new ATOM 1234 N GLY A 78 -0.862 1.503 6.427 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.285 0.223 6.057 1.00 0.00 C ATOM 1236 C GLY A 78 -1.236 -0.934 6.298 1.00 0.00 C ATOM 1237 O GLY A 78 -2.439 -0.819 6.059 1.00 0.00 O ATOM 0 H GLY A 78 -0.691 1.786 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.005 0.245 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.630 0.062 6.627 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.695 -2.053 6.771 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.503 -3.238 7.043 1.00 0.00 C ATOM 1243 C PHE A 79 -2.409 -3.014 8.251 1.00 0.00 C ATOM 1244 O PHE A 79 -3.629 -2.928 8.114 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.599 -4.451 7.279 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.348 -5.702 7.643 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.472 -6.086 6.928 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -0.929 -6.492 8.701 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.163 -7.235 7.263 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.616 -7.643 9.040 1.00 0.00 C ATOM 1251 CZ PHE A 79 -2.734 -8.014 8.320 1.00 0.00 C ATOM 0 H PHE A 79 0.298 -2.164 6.974 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.133 -3.428 6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.014 -4.638 6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.108 -4.217 8.075 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.811 -5.481 6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.055 -6.205 9.268 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.038 -7.524 6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.279 -8.251 9.867 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.273 -8.912 8.583 1.00 0.00 H new ATOM 1261 N ASP A 80 -1.804 -2.923 9.432 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.559 -2.712 10.665 1.00 0.00 C ATOM 1263 C ASP A 80 -3.452 -1.481 10.554 1.00 0.00 C ATOM 1264 O ASP A 80 -4.614 -1.504 10.963 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.606 -2.559 11.852 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.337 -2.545 13.181 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.952 -1.509 13.509 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.294 -3.571 13.893 1.00 0.00 O ATOM 0 H ASP A 80 -0.795 -2.992 9.562 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.192 -3.584 10.826 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.886 -3.378 11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.039 -1.635 11.742 1.00 0.00 H new ATOM 1273 N GLN A 81 -2.902 -0.406 9.997 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.649 0.836 9.831 1.00 0.00 C ATOM 1275 C GLN A 81 -4.939 0.589 9.057 1.00 0.00 C ATOM 1276 O GLN A 81 -5.976 1.182 9.355 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.799 1.877 9.104 1.00 0.00 C ATOM 1278 CG GLN A 81 -1.629 2.390 9.927 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.986 3.615 10.746 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -3.158 3.883 11.006 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.972 4.369 11.157 1.00 0.00 N ATOM 0 H GLN A 81 -1.942 -0.370 9.653 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.902 1.214 10.821 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.419 1.442 8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.432 2.719 8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.284 1.600 10.594 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.800 2.631 9.262 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.015 4.110 10.919 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.151 5.207 11.711 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.869 -0.291 8.064 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.032 -0.615 7.254 1.00 0.00 C ATOM 1292 C LEU A 82 -7.037 -1.449 8.035 1.00 0.00 C ATOM 1293 O LEU A 82 -8.241 -1.205 7.959 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.628 -1.336 5.984 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.754 -1.422 4.966 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.380 -0.732 3.670 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.123 -2.862 4.731 1.00 0.00 C ATOM 0 H LEU A 82 -4.019 -0.791 7.803 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.509 0.326 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.778 -0.821 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.295 -2.343 6.235 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.624 -0.901 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.206 -0.812 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.170 0.320 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.495 -1.207 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.930 -2.916 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.255 -3.403 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.451 -3.311 5.668 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.550 -2.415 8.807 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.436 -3.248 9.615 1.00 0.00 C ATOM 1311 C ARG A 83 -8.347 -2.355 10.446 1.00 0.00 C ATOM 1312 O ARG A 83 -9.490 -2.711 10.741 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.625 -4.172 10.526 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.447 -5.290 11.145 1.00 0.00 C ATOM 1315 CD ARG A 83 -7.522 -6.502 10.228 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.439 -7.757 10.970 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.312 -8.236 11.493 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.173 -7.569 11.356 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -6.325 -9.385 12.154 1.00 0.00 N ATOM 0 H ARG A 83 -5.559 -2.640 8.891 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.041 -3.869 8.955 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.807 -4.608 9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.175 -3.580 11.322 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.007 -5.581 12.099 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.454 -4.929 11.355 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.456 -6.474 9.667 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.711 -6.457 9.501 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.294 -8.298 11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.158 -6.685 10.848 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.313 -7.941 11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.198 -9.902 12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.462 -9.753 12.555 1.00 0.00 H new ATOM 1333 N GLU A 84 -7.838 -1.174 10.793 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.611 -0.207 11.554 1.00 0.00 C ATOM 1335 C GLU A 84 -9.673 0.402 10.651 1.00 0.00 C ATOM 1336 O GLU A 84 -10.793 0.677 11.083 1.00 0.00 O ATOM 1337 CB GLU A 84 -7.702 0.887 12.120 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.256 1.550 13.371 1.00 0.00 C ATOM 1339 CD GLU A 84 -8.397 0.584 14.530 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -7.381 -0.031 14.917 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -9.523 0.443 15.053 1.00 0.00 O ATOM 0 H GLU A 84 -6.894 -0.868 10.557 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.091 -0.711 12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.727 0.456 12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.543 1.648 11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.600 2.370 13.664 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.229 1.986 13.146 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.317 0.579 9.380 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.240 1.116 8.395 1.00 0.00 C ATOM 1350 C TYR A 85 -11.411 0.155 8.229 1.00 0.00 C ATOM 1351 O TYR A 85 -12.549 0.567 8.009 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.515 1.307 7.060 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.291 2.107 6.041 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.256 1.506 5.243 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.050 3.463 5.868 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -11.961 2.234 4.304 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.748 4.199 4.931 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.703 3.579 4.152 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.402 4.308 3.217 1.00 0.00 O ATOM 0 H TYR A 85 -8.392 0.356 9.012 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.616 2.083 8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.562 1.803 7.245 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.288 0.327 6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.459 0.452 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.303 3.951 6.477 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.710 1.752 3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.548 5.253 4.809 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.101 5.240 3.237 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.109 -1.136 8.359 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.109 -2.191 8.238 1.00 0.00 C ATOM 1371 C PHE A 86 -12.791 -2.459 9.577 1.00 0.00 C ATOM 1372 O PHE A 86 -13.935 -2.910 9.618 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.444 -3.473 7.722 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.248 -3.491 6.233 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.241 -3.034 5.379 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.063 -3.949 5.686 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.051 -3.031 4.012 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.870 -3.953 4.319 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.863 -3.492 3.481 1.00 0.00 C ATOM 0 H PHE A 86 -10.167 -1.477 8.550 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.871 -1.864 7.531 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.476 -3.592 8.209 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.053 -4.330 8.010 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.174 -2.676 5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.279 -4.308 6.336 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.831 -2.668 3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.941 -4.317 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.712 -3.492 2.412 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.076 -2.177 10.669 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.594 -2.381 12.024 1.00 0.00 C ATOM 1391 C LYS A 87 -13.455 -3.640 12.121 1.00 0.00 C ATOM 1392 O LYS A 87 -12.878 -4.741 12.248 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.395 -1.157 12.481 1.00 0.00 C ATOM 1394 CG LYS A 87 -14.446 -0.701 11.482 1.00 0.00 C ATOM 1395 CD LYS A 87 -13.851 0.214 10.424 1.00 0.00 C ATOM 1396 CE LYS A 87 -14.050 1.679 10.780 1.00 0.00 C ATOM 1397 NZ LYS A 87 -13.323 2.582 9.845 1.00 0.00 N ATOM 1398 OXT LYS A 87 -14.697 -3.514 12.067 1.00 0.00 O ATOM 0 H LYS A 87 -11.127 -1.803 10.640 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.737 -2.515 12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.883 -1.387 13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.706 -0.334 12.670 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.894 -1.571 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.246 -0.179 12.007 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.786 0.005 10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.314 0.006 9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.114 1.916 10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.703 1.855 11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.546 3.053 10.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.936 2.026 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.979 3.299 9.474 1.00 0.00 H new TER 1412 LYS A 87