USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 hydrogens (2 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 49 THR OG1 : rot -54:sc= 1.28 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=1.3,f=1.2) USER MOD Set 2.1: A 7 SER OG : rot -166:sc= 1.44 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 10 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 1 LYS N :NH3+ -154:sc= 1.21 (180deg=1.05) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 5:sc= 1.24 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 22 ASN : amide:sc= 0.274 K(o=0.27,f=-4.8!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -141:sc= 1.3 (180deg=0.904) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 32 GLN : amide:sc= 1.34 K(o=1.3,f=-1) USER MOD Single : A 33 TYR OH : rot -29:sc= 1.25 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -70:sc= 1.17 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.5) USER MOD Single : A 62 ASN : amide:sc= -0.0294 K(o=-0.029,f=-0.93) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.806 K(o=0.81,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.353 34.035 37.264 1.00 0.00 N ATOM 2 CA LYS A 1 26.699 33.427 37.133 1.00 0.00 C ATOM 3 C LYS A 1 26.847 32.691 35.795 1.00 0.00 C ATOM 4 O LYS A 1 25.853 32.260 35.208 1.00 0.00 O ATOM 5 CB LYS A 1 26.999 32.538 38.359 1.00 0.00 C ATOM 6 CG LYS A 1 28.490 32.202 38.523 1.00 0.00 C ATOM 7 CD LYS A 1 28.761 31.452 39.834 1.00 0.00 C ATOM 8 CE LYS A 1 30.226 31.003 39.886 1.00 0.00 C ATOM 9 NZ LYS A 1 30.511 30.192 41.090 1.00 0.00 N ATOM 0 H1 LYS A 1 25.402 34.852 37.906 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.021 34.349 36.330 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.690 33.332 37.648 1.00 0.00 H new ATOM 0 HA LYS A 1 27.452 34.215 37.120 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.647 33.043 39.259 1.00 0.00 H new ATOM 0 HB3 LYS A 1 26.433 31.610 38.272 1.00 0.00 H new ATOM 0 HG2 LYS A 1 28.821 31.594 37.681 1.00 0.00 H new ATOM 0 HG3 LYS A 1 29.075 33.122 38.502 1.00 0.00 H new ATOM 0 HD2 LYS A 1 28.539 32.097 40.684 1.00 0.00 H new ATOM 0 HD3 LYS A 1 28.103 30.586 39.910 1.00 0.00 H new ATOM 0 HE2 LYS A 1 30.460 30.423 38.993 1.00 0.00 H new ATOM 0 HE3 LYS A 1 30.875 31.879 39.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 31.511 29.908 41.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 30.312 30.754 41.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 29.910 29.343 41.087 1.00 0.00 H new ATOM 25 N GLU A 2 28.083 32.537 35.313 1.00 0.00 N ATOM 26 CA GLU A 2 28.473 31.739 34.137 1.00 0.00 C ATOM 27 C GLU A 2 29.498 30.644 34.501 1.00 0.00 C ATOM 28 O GLU A 2 30.173 30.728 35.532 1.00 0.00 O ATOM 29 CB GLU A 2 29.088 32.635 33.046 1.00 0.00 C ATOM 30 CG GLU A 2 28.211 33.800 32.563 1.00 0.00 C ATOM 31 CD GLU A 2 28.820 34.552 31.365 1.00 0.00 C ATOM 32 OE1 GLU A 2 29.640 33.978 30.609 1.00 0.00 O ATOM 33 OE2 GLU A 2 28.475 35.741 31.155 1.00 0.00 O ATOM 0 H GLU A 2 28.885 32.988 35.753 1.00 0.00 H new ATOM 0 HA GLU A 2 27.563 31.267 33.766 1.00 0.00 H new ATOM 0 HB2 GLU A 2 30.025 33.043 33.424 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.335 32.011 32.187 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.229 33.418 32.284 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.059 34.499 33.385 1.00 0.00 H new ATOM 40 N GLY A 3 29.661 29.635 33.642 1.00 0.00 N ATOM 41 CA GLY A 3 30.737 28.646 33.753 1.00 0.00 C ATOM 42 C GLY A 3 30.708 27.572 32.663 1.00 0.00 C ATOM 43 O GLY A 3 29.788 27.516 31.840 1.00 0.00 O ATOM 0 H GLY A 3 29.045 29.480 32.844 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.696 29.162 33.715 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.673 28.162 34.728 1.00 0.00 H new ATOM 47 N TYR A 4 31.713 26.693 32.667 1.00 0.00 N ATOM 48 CA TYR A 4 31.789 25.585 31.714 1.00 0.00 C ATOM 49 C TYR A 4 30.764 24.501 32.068 1.00 0.00 C ATOM 50 O TYR A 4 30.540 24.203 33.247 1.00 0.00 O ATOM 51 CB TYR A 4 33.218 25.035 31.651 1.00 0.00 C ATOM 52 CG TYR A 4 33.556 24.315 30.361 1.00 0.00 C ATOM 53 CD1 TYR A 4 33.310 22.933 30.228 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.158 25.024 29.302 1.00 0.00 C ATOM 55 CE1 TYR A 4 33.696 22.258 29.052 1.00 0.00 C ATOM 56 CE2 TYR A 4 34.579 24.342 28.147 1.00 0.00 C ATOM 57 CZ TYR A 4 34.358 22.955 28.022 1.00 0.00 C ATOM 58 OH TYR A 4 34.857 22.303 26.941 1.00 0.00 O ATOM 0 H TYR A 4 32.491 26.729 33.326 1.00 0.00 H new ATOM 0 HA TYR A 4 31.538 25.951 30.718 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.918 25.860 31.787 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.367 24.350 32.485 1.00 0.00 H new ATOM 0 HD1 TYR A 4 32.826 22.391 31.027 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.296 26.092 29.378 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.484 21.205 28.941 1.00 0.00 H new ATOM 0 HE2 TYR A 4 35.073 24.882 27.353 1.00 0.00 H new ATOM 0 HH TYR A 4 34.607 21.356 26.986 1.00 0.00 H new ATOM 68 N LEU A 5 30.131 23.917 31.050 1.00 0.00 N ATOM 69 CA LEU A 5 29.024 22.976 31.235 1.00 0.00 C ATOM 70 C LEU A 5 29.509 21.658 31.868 1.00 0.00 C ATOM 71 O LEU A 5 30.600 21.179 31.559 1.00 0.00 O ATOM 72 CB LEU A 5 28.308 22.778 29.880 1.00 0.00 C ATOM 73 CG LEU A 5 26.772 22.849 29.960 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.190 22.939 28.552 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.133 21.661 30.676 1.00 0.00 C ATOM 0 H LEU A 5 30.371 24.083 30.073 1.00 0.00 H new ATOM 0 HA LEU A 5 28.300 23.383 31.941 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.660 23.538 29.182 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.595 21.810 29.469 1.00 0.00 H new ATOM 0 HG LEU A 5 26.542 23.738 30.548 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.103 22.989 28.610 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.569 23.834 28.058 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.482 22.058 27.980 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.050 21.785 30.691 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.386 20.740 30.150 1.00 0.00 H new ATOM 0 HD23 LEU A 5 26.506 21.609 31.699 1.00 0.00 H new ATOM 87 N VAL A 6 28.694 21.052 32.731 1.00 0.00 N ATOM 88 CA VAL A 6 28.896 19.696 33.266 1.00 0.00 C ATOM 89 C VAL A 6 27.545 19.005 33.489 1.00 0.00 C ATOM 90 O VAL A 6 26.531 19.669 33.719 1.00 0.00 O ATOM 91 CB VAL A 6 29.763 19.736 34.546 1.00 0.00 C ATOM 92 CG1 VAL A 6 29.080 20.441 35.726 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.205 18.335 34.987 1.00 0.00 C ATOM 0 H VAL A 6 27.850 21.499 33.090 1.00 0.00 H new ATOM 0 HA VAL A 6 29.444 19.101 32.536 1.00 0.00 H new ATOM 0 HB VAL A 6 30.639 20.322 34.267 1.00 0.00 H new ATOM 0 HG11 VAL A 6 29.745 20.432 36.590 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.854 21.472 35.453 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.155 19.921 35.975 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.811 18.412 35.889 1.00 0.00 H new ATOM 0 HG22 VAL A 6 29.326 17.724 35.191 1.00 0.00 H new ATOM 0 HG23 VAL A 6 30.792 17.872 34.194 1.00 0.00 H new ATOM 103 N SER A 7 27.526 17.676 33.427 1.00 0.00 N ATOM 104 CA SER A 7 26.412 16.821 33.863 1.00 0.00 C ATOM 105 C SER A 7 26.935 15.468 34.363 1.00 0.00 C ATOM 106 O SER A 7 28.109 15.137 34.152 1.00 0.00 O ATOM 107 CB SER A 7 25.409 16.631 32.717 1.00 0.00 C ATOM 108 OG SER A 7 25.957 15.866 31.664 1.00 0.00 O ATOM 0 H SER A 7 28.312 17.140 33.059 1.00 0.00 H new ATOM 0 HA SER A 7 25.899 17.310 34.691 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.513 16.139 33.096 1.00 0.00 H new ATOM 0 HB3 SER A 7 25.102 17.605 32.337 1.00 0.00 H new ATOM 0 HG SER A 7 25.386 15.945 30.871 1.00 0.00 H new ATOM 114 N LYS A 8 26.088 14.650 35.008 1.00 0.00 N ATOM 115 CA LYS A 8 26.445 13.253 35.343 1.00 0.00 C ATOM 116 C LYS A 8 26.304 12.290 34.149 1.00 0.00 C ATOM 117 O LYS A 8 26.932 11.228 34.152 1.00 0.00 O ATOM 118 CB LYS A 8 25.678 12.776 36.592 1.00 0.00 C ATOM 119 CG LYS A 8 26.207 13.435 37.882 1.00 0.00 C ATOM 120 CD LYS A 8 25.542 12.873 39.150 1.00 0.00 C ATOM 121 CE LYS A 8 26.100 13.572 40.398 1.00 0.00 C ATOM 122 NZ LYS A 8 25.414 13.142 41.642 1.00 0.00 N ATOM 0 H LYS A 8 25.153 14.926 35.309 1.00 0.00 H new ATOM 0 HA LYS A 8 27.507 13.241 35.587 1.00 0.00 H new ATOM 0 HB2 LYS A 8 24.619 13.005 36.476 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.762 11.693 36.677 1.00 0.00 H new ATOM 0 HG2 LYS A 8 27.285 13.287 37.946 1.00 0.00 H new ATOM 0 HG3 LYS A 8 26.036 14.510 37.833 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.463 13.016 39.097 1.00 0.00 H new ATOM 0 HD3 LYS A 8 25.719 11.799 39.216 1.00 0.00 H new ATOM 0 HE2 LYS A 8 27.166 13.361 40.483 1.00 0.00 H new ATOM 0 HE3 LYS A 8 25.996 14.651 40.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.826 13.641 42.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.401 13.366 41.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 25.534 12.117 41.768 1.00 0.00 H new ATOM 136 N SER A 9 25.558 12.660 33.103 1.00 0.00 N ATOM 137 CA SER A 9 25.403 11.854 31.883 1.00 0.00 C ATOM 138 C SER A 9 26.549 12.050 30.880 1.00 0.00 C ATOM 139 O SER A 9 27.150 11.067 30.447 1.00 0.00 O ATOM 140 CB SER A 9 24.044 12.131 31.229 1.00 0.00 C ATOM 141 OG SER A 9 23.883 13.502 30.923 1.00 0.00 O ATOM 0 H SER A 9 25.038 13.537 33.077 1.00 0.00 H new ATOM 0 HA SER A 9 25.445 10.808 32.188 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.951 11.541 30.317 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.246 11.811 31.898 1.00 0.00 H new ATOM 0 HG SER A 9 23.007 13.644 30.506 1.00 0.00 H new ATOM 147 N THR A 10 26.896 13.302 30.561 1.00 0.00 N ATOM 148 CA THR A 10 27.903 13.681 29.547 1.00 0.00 C ATOM 149 C THR A 10 29.312 13.862 30.135 1.00 0.00 C ATOM 150 O THR A 10 30.313 13.682 29.431 1.00 0.00 O ATOM 151 CB THR A 10 27.458 14.983 28.842 1.00 0.00 C ATOM 152 OG1 THR A 10 26.158 14.843 28.297 1.00 0.00 O ATOM 153 CG2 THR A 10 28.355 15.409 27.681 1.00 0.00 C ATOM 0 H THR A 10 26.472 14.112 31.014 1.00 0.00 H new ATOM 0 HA THR A 10 27.964 12.860 28.833 1.00 0.00 H new ATOM 0 HB THR A 10 27.507 15.738 29.627 1.00 0.00 H new ATOM 0 HG1 THR A 10 25.499 15.207 28.925 1.00 0.00 H new ATOM 0 HG21 THR A 10 27.971 16.331 27.244 1.00 0.00 H new ATOM 0 HG22 THR A 10 29.368 15.576 28.046 1.00 0.00 H new ATOM 0 HG23 THR A 10 28.367 14.625 26.924 1.00 0.00 H new ATOM 161 N GLY A 11 29.420 14.229 31.417 1.00 0.00 N ATOM 162 CA GLY A 11 30.677 14.689 32.017 1.00 0.00 C ATOM 163 C GLY A 11 31.101 16.053 31.455 1.00 0.00 C ATOM 164 O GLY A 11 30.251 16.927 31.257 1.00 0.00 O ATOM 0 H GLY A 11 28.636 14.215 32.069 1.00 0.00 H new ATOM 0 HA2 GLY A 11 30.561 14.760 33.098 1.00 0.00 H new ATOM 0 HA3 GLY A 11 31.462 13.956 31.828 1.00 0.00 H new ATOM 168 N CYS A 12 32.395 16.222 31.166 1.00 0.00 N ATOM 169 CA CYS A 12 32.954 17.399 30.488 1.00 0.00 C ATOM 170 C CYS A 12 33.072 17.154 28.967 1.00 0.00 C ATOM 171 O CYS A 12 33.344 16.028 28.533 1.00 0.00 O ATOM 172 CB CYS A 12 34.286 17.780 31.155 1.00 0.00 C ATOM 173 SG CYS A 12 34.831 19.486 30.851 1.00 0.00 S ATOM 0 H CYS A 12 33.102 15.526 31.403 1.00 0.00 H new ATOM 0 HA CYS A 12 32.282 18.250 30.594 1.00 0.00 H new ATOM 0 HB2 CYS A 12 34.193 17.629 32.231 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.060 17.098 30.803 1.00 0.00 H new ATOM 178 N LYS A 13 32.834 18.184 28.144 1.00 0.00 N ATOM 179 CA LYS A 13 32.624 18.072 26.686 1.00 0.00 C ATOM 180 C LYS A 13 33.611 18.899 25.844 1.00 0.00 C ATOM 181 O LYS A 13 34.384 19.706 26.358 1.00 0.00 O ATOM 182 CB LYS A 13 31.153 18.424 26.384 1.00 0.00 C ATOM 183 CG LYS A 13 30.543 17.566 25.267 1.00 0.00 C ATOM 184 CD LYS A 13 29.134 18.064 24.942 1.00 0.00 C ATOM 185 CE LYS A 13 28.434 17.101 23.985 1.00 0.00 C ATOM 186 NZ LYS A 13 27.179 17.696 23.492 1.00 0.00 N ATOM 0 H LYS A 13 32.780 19.146 28.479 1.00 0.00 H new ATOM 0 HA LYS A 13 32.832 17.044 26.388 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.563 18.300 27.292 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.088 19.475 26.103 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.170 17.613 24.376 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.507 16.522 25.577 1.00 0.00 H new ATOM 0 HD2 LYS A 13 28.555 18.159 25.860 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.187 19.057 24.495 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.090 16.870 23.146 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.224 16.160 24.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.712 17.032 22.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.550 17.894 24.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.389 18.582 22.990 1.00 0.00 H new ATOM 200 N TYR A 14 33.575 18.652 24.538 1.00 0.00 N ATOM 201 CA TYR A 14 34.518 19.077 23.496 1.00 0.00 C ATOM 202 C TYR A 14 34.173 20.416 22.806 1.00 0.00 C ATOM 203 O TYR A 14 33.084 20.968 22.989 1.00 0.00 O ATOM 204 CB TYR A 14 34.609 17.915 22.486 1.00 0.00 C ATOM 205 CG TYR A 14 33.292 17.235 22.134 1.00 0.00 C ATOM 206 CD1 TYR A 14 32.229 17.968 21.567 1.00 0.00 C ATOM 207 CD2 TYR A 14 33.125 15.859 22.389 1.00 0.00 C ATOM 208 CE1 TYR A 14 31.011 17.333 21.253 1.00 0.00 C ATOM 209 CE2 TYR A 14 31.912 15.221 22.068 1.00 0.00 C ATOM 210 CZ TYR A 14 30.854 15.948 21.488 1.00 0.00 C ATOM 211 OH TYR A 14 29.705 15.310 21.142 1.00 0.00 O ATOM 0 H TYR A 14 32.816 18.098 24.140 1.00 0.00 H new ATOM 0 HA TYR A 14 35.480 19.287 23.963 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.058 18.292 21.567 1.00 0.00 H new ATOM 0 HB3 TYR A 14 35.288 17.163 22.887 1.00 0.00 H new ATOM 0 HD1 TYR A 14 32.349 19.023 21.372 1.00 0.00 H new ATOM 0 HD2 TYR A 14 33.930 15.292 22.832 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.197 17.905 20.833 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.792 14.166 22.268 1.00 0.00 H new ATOM 0 HH TYR A 14 29.774 14.361 21.376 1.00 0.00 H new ATOM 221 N GLU A 15 35.087 20.928 21.970 1.00 0.00 N ATOM 222 CA GLU A 15 34.897 22.186 21.223 1.00 0.00 C ATOM 223 C GLU A 15 33.684 22.174 20.268 1.00 0.00 C ATOM 224 O GLU A 15 33.302 21.128 19.725 1.00 0.00 O ATOM 225 CB GLU A 15 36.186 22.640 20.502 1.00 0.00 C ATOM 226 CG GLU A 15 36.602 21.797 19.283 1.00 0.00 C ATOM 227 CD GLU A 15 37.674 22.497 18.432 1.00 0.00 C ATOM 228 OE1 GLU A 15 38.721 22.924 18.981 1.00 0.00 O ATOM 229 OE2 GLU A 15 37.499 22.592 17.189 1.00 0.00 O ATOM 0 H GLU A 15 35.986 20.480 21.790 1.00 0.00 H new ATOM 0 HA GLU A 15 34.664 22.931 21.984 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.055 23.673 20.179 1.00 0.00 H new ATOM 0 HB3 GLU A 15 37.005 22.633 21.222 1.00 0.00 H new ATOM 0 HG2 GLU A 15 36.982 20.833 19.622 1.00 0.00 H new ATOM 0 HG3 GLU A 15 35.726 21.595 18.667 1.00 0.00 H new ATOM 236 N CYS A 16 33.098 23.356 20.064 1.00 0.00 N ATOM 237 CA CYS A 16 31.952 23.632 19.194 1.00 0.00 C ATOM 238 C CYS A 16 32.308 23.564 17.695 1.00 0.00 C ATOM 239 O CYS A 16 33.473 23.408 17.320 1.00 0.00 O ATOM 240 CB CYS A 16 31.399 25.021 19.561 1.00 0.00 C ATOM 241 SG CYS A 16 30.712 25.175 21.232 1.00 0.00 S ATOM 0 H CYS A 16 33.432 24.199 20.531 1.00 0.00 H new ATOM 0 HA CYS A 16 31.199 22.861 19.355 1.00 0.00 H new ATOM 0 HB2 CYS A 16 32.199 25.752 19.448 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.623 25.284 18.843 1.00 0.00 H new ATOM 246 N LEU A 17 31.303 23.708 16.822 1.00 0.00 N ATOM 247 CA LEU A 17 31.449 23.745 15.354 1.00 0.00 C ATOM 248 C LEU A 17 31.246 25.158 14.759 1.00 0.00 C ATOM 249 O LEU A 17 31.382 25.360 13.549 1.00 0.00 O ATOM 250 CB LEU A 17 30.460 22.736 14.734 1.00 0.00 C ATOM 251 CG LEU A 17 30.501 21.302 15.297 1.00 0.00 C ATOM 252 CD1 LEU A 17 29.506 20.421 14.542 1.00 0.00 C ATOM 253 CD2 LEU A 17 31.887 20.665 15.186 1.00 0.00 C ATOM 0 H LEU A 17 30.333 23.805 17.123 1.00 0.00 H new ATOM 0 HA LEU A 17 32.475 23.469 15.109 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.450 23.125 14.863 1.00 0.00 H new ATOM 0 HB3 LEU A 17 30.649 22.688 13.662 1.00 0.00 H new ATOM 0 HG LEU A 17 30.242 21.373 16.353 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.539 19.408 14.944 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.501 20.825 14.659 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.768 20.400 13.484 1.00 0.00 H new ATOM 0 HD21 LEU A 17 31.858 19.656 15.597 1.00 0.00 H new ATOM 0 HD22 LEU A 17 32.184 20.621 14.138 1.00 0.00 H new ATOM 0 HD23 LEU A 17 32.608 21.263 15.743 1.00 0.00 H new ATOM 265 N LYS A 18 30.882 26.131 15.607 1.00 0.00 N ATOM 266 CA LYS A 18 30.410 27.473 15.241 1.00 0.00 C ATOM 267 C LYS A 18 30.635 28.451 16.401 1.00 0.00 C ATOM 268 O LYS A 18 30.410 28.092 17.558 1.00 0.00 O ATOM 269 CB LYS A 18 28.917 27.318 14.897 1.00 0.00 C ATOM 270 CG LYS A 18 28.224 28.581 14.376 1.00 0.00 C ATOM 271 CD LYS A 18 26.787 28.220 13.964 1.00 0.00 C ATOM 272 CE LYS A 18 26.036 29.373 13.294 1.00 0.00 C ATOM 273 NZ LYS A 18 25.701 30.474 14.225 1.00 0.00 N ATOM 0 H LYS A 18 30.911 25.996 16.618 1.00 0.00 H new ATOM 0 HA LYS A 18 30.955 27.883 14.391 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.815 26.533 14.147 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.390 26.978 15.789 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.214 29.352 15.147 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.770 28.988 13.525 1.00 0.00 H new ATOM 0 HD2 LYS A 18 26.816 27.370 13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.234 27.901 14.847 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.643 29.768 12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.117 28.990 12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.194 31.222 13.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.097 30.110 14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.576 30.864 14.630 1.00 0.00 H new ATOM 287 N LEU A 19 31.064 29.683 16.112 1.00 0.00 N ATOM 288 CA LEU A 19 31.305 30.712 17.132 1.00 0.00 C ATOM 289 C LEU A 19 30.011 31.059 17.893 1.00 0.00 C ATOM 290 O LEU A 19 29.014 31.450 17.282 1.00 0.00 O ATOM 291 CB LEU A 19 31.920 31.954 16.453 1.00 0.00 C ATOM 292 CG LEU A 19 32.335 33.092 17.404 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.564 32.722 18.239 1.00 0.00 C ATOM 294 CD2 LEU A 19 32.693 34.340 16.598 1.00 0.00 C ATOM 0 H LEU A 19 31.255 29.998 15.161 1.00 0.00 H new ATOM 0 HA LEU A 19 32.006 30.330 17.874 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.796 31.640 15.886 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.200 32.348 15.735 1.00 0.00 H new ATOM 0 HG LEU A 19 31.488 33.273 18.066 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.822 33.553 18.895 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.343 31.840 18.840 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.403 32.509 17.577 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.985 35.141 17.278 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.521 34.114 15.926 1.00 0.00 H new ATOM 0 HD23 LEU A 19 31.828 34.657 16.015 1.00 0.00 H new ATOM 306 N GLY A 20 30.042 30.950 19.223 1.00 0.00 N ATOM 307 CA GLY A 20 28.974 31.378 20.136 1.00 0.00 C ATOM 308 C GLY A 20 27.691 30.531 20.158 1.00 0.00 C ATOM 309 O GLY A 20 26.747 30.929 20.840 1.00 0.00 O ATOM 0 H GLY A 20 30.840 30.547 19.714 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.382 31.401 21.147 1.00 0.00 H new ATOM 0 HA3 GLY A 20 28.700 32.401 19.880 1.00 0.00 H new ATOM 313 N ASP A 21 27.620 29.405 19.440 1.00 0.00 N ATOM 314 CA ASP A 21 26.361 28.707 19.125 1.00 0.00 C ATOM 315 C ASP A 21 26.535 27.170 19.060 1.00 0.00 C ATOM 316 O ASP A 21 27.296 26.668 18.230 1.00 0.00 O ATOM 317 CB ASP A 21 25.867 29.290 17.782 1.00 0.00 C ATOM 318 CG ASP A 21 24.562 28.707 17.231 1.00 0.00 C ATOM 319 OD1 ASP A 21 23.988 27.768 17.823 1.00 0.00 O ATOM 320 OD2 ASP A 21 24.117 29.169 16.150 1.00 0.00 O ATOM 0 H ASP A 21 28.444 28.944 19.055 1.00 0.00 H new ATOM 0 HA ASP A 21 25.628 28.868 19.915 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.738 30.366 17.902 1.00 0.00 H new ATOM 0 HB3 ASP A 21 26.649 29.144 17.037 1.00 0.00 H new ATOM 325 N ASN A 22 25.810 26.414 19.901 1.00 0.00 N ATOM 326 CA ASN A 22 25.700 24.950 19.791 1.00 0.00 C ATOM 327 C ASN A 22 24.384 24.398 20.385 1.00 0.00 C ATOM 328 O ASN A 22 24.094 24.587 21.568 1.00 0.00 O ATOM 329 CB ASN A 22 26.914 24.287 20.465 1.00 0.00 C ATOM 330 CG ASN A 22 26.899 22.780 20.295 1.00 0.00 C ATOM 331 OD1 ASN A 22 26.339 22.043 21.096 1.00 0.00 O ATOM 332 ND2 ASN A 22 27.463 22.279 19.225 1.00 0.00 N ATOM 0 H ASN A 22 25.281 26.804 20.681 1.00 0.00 H new ATOM 0 HA ASN A 22 25.685 24.706 18.729 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.832 24.692 20.039 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.920 24.533 21.527 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.436 21.273 19.058 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.929 22.895 18.559 1.00 0.00 H new ATOM 339 N ASP A 23 23.631 23.640 19.581 1.00 0.00 N ATOM 340 CA ASP A 23 22.316 23.074 19.934 1.00 0.00 C ATOM 341 C ASP A 23 22.320 22.153 21.174 1.00 0.00 C ATOM 342 O ASP A 23 21.370 22.174 21.956 1.00 0.00 O ATOM 343 CB ASP A 23 21.798 22.305 18.708 1.00 0.00 C ATOM 344 CG ASP A 23 20.438 21.639 18.939 1.00 0.00 C ATOM 345 OD1 ASP A 23 19.416 22.348 19.060 1.00 0.00 O ATOM 346 OD2 ASP A 23 20.391 20.384 18.981 1.00 0.00 O ATOM 0 H ASP A 23 23.925 23.393 18.636 1.00 0.00 H new ATOM 0 HA ASP A 23 21.666 23.905 20.207 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.720 22.991 17.864 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.526 21.542 18.432 1.00 0.00 H new ATOM 351 N TYR A 24 23.374 21.358 21.390 1.00 0.00 N ATOM 352 CA TYR A 24 23.455 20.471 22.559 1.00 0.00 C ATOM 353 C TYR A 24 23.899 21.223 23.829 1.00 0.00 C ATOM 354 O TYR A 24 23.442 20.894 24.927 1.00 0.00 O ATOM 355 CB TYR A 24 24.400 19.296 22.283 1.00 0.00 C ATOM 356 CG TYR A 24 24.067 18.364 21.131 1.00 0.00 C ATOM 357 CD1 TYR A 24 23.232 17.247 21.344 1.00 0.00 C ATOM 358 CD2 TYR A 24 24.719 18.518 19.892 1.00 0.00 C ATOM 359 CE1 TYR A 24 23.074 16.274 20.337 1.00 0.00 C ATOM 360 CE2 TYR A 24 24.564 17.545 18.886 1.00 0.00 C ATOM 361 CZ TYR A 24 23.756 16.411 19.109 1.00 0.00 C ATOM 362 OH TYR A 24 23.692 15.440 18.162 1.00 0.00 O ATOM 0 H TYR A 24 24.183 21.310 20.771 1.00 0.00 H new ATOM 0 HA TYR A 24 22.451 20.087 22.738 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.395 19.704 22.105 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.459 18.696 23.191 1.00 0.00 H new ATOM 0 HD1 TYR A 24 22.711 17.137 22.284 1.00 0.00 H new ATOM 0 HD2 TYR A 24 25.339 19.384 19.713 1.00 0.00 H new ATOM 0 HE1 TYR A 24 22.431 15.423 20.505 1.00 0.00 H new ATOM 0 HE2 TYR A 24 25.067 17.668 17.938 1.00 0.00 H new ATOM 0 HH TYR A 24 24.222 15.708 17.383 1.00 0.00 H new ATOM 372 N CYS A 25 24.752 22.248 23.707 1.00 0.00 N ATOM 373 CA CYS A 25 25.146 23.104 24.838 1.00 0.00 C ATOM 374 C CYS A 25 23.974 23.974 25.319 1.00 0.00 C ATOM 375 O CYS A 25 23.766 24.111 26.524 1.00 0.00 O ATOM 376 CB CYS A 25 26.359 23.960 24.450 1.00 0.00 C ATOM 377 SG CYS A 25 27.833 22.987 24.041 1.00 0.00 S ATOM 0 H CYS A 25 25.189 22.509 22.823 1.00 0.00 H new ATOM 0 HA CYS A 25 25.429 22.464 25.674 1.00 0.00 H new ATOM 0 HB2 CYS A 25 26.096 24.582 23.594 1.00 0.00 H new ATOM 0 HB3 CYS A 25 26.596 24.634 25.273 1.00 0.00 H new ATOM 382 N LEU A 26 23.156 24.491 24.391 1.00 0.00 N ATOM 383 CA LEU A 26 21.884 25.161 24.692 1.00 0.00 C ATOM 384 C LEU A 26 20.983 24.276 25.565 1.00 0.00 C ATOM 385 O LEU A 26 20.493 24.722 26.606 1.00 0.00 O ATOM 386 CB LEU A 26 21.233 25.575 23.356 1.00 0.00 C ATOM 387 CG LEU A 26 19.906 26.354 23.486 1.00 0.00 C ATOM 388 CD1 LEU A 26 19.735 27.298 22.293 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.677 25.439 23.512 1.00 0.00 C ATOM 0 H LEU A 26 23.364 24.454 23.393 1.00 0.00 H new ATOM 0 HA LEU A 26 22.052 26.061 25.284 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.942 26.187 22.799 1.00 0.00 H new ATOM 0 HB3 LEU A 26 21.053 24.677 22.764 1.00 0.00 H new ATOM 0 HG LEU A 26 19.967 26.895 24.430 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.797 27.844 22.392 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.565 28.005 22.266 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.722 26.719 21.370 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.775 26.044 23.605 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.634 24.862 22.588 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.747 24.760 24.361 1.00 0.00 H new ATOM 401 N ARG A 27 20.804 23.008 25.169 1.00 0.00 N ATOM 402 CA ARG A 27 19.869 22.085 25.825 1.00 0.00 C ATOM 403 C ARG A 27 20.394 21.523 27.149 1.00 0.00 C ATOM 404 O ARG A 27 19.671 21.614 28.136 1.00 0.00 O ATOM 405 CB ARG A 27 19.397 21.015 24.823 1.00 0.00 C ATOM 406 CG ARG A 27 18.518 21.670 23.738 1.00 0.00 C ATOM 407 CD ARG A 27 17.937 20.693 22.713 1.00 0.00 C ATOM 408 NE ARG A 27 18.966 20.099 21.843 1.00 0.00 N ATOM 409 CZ ARG A 27 19.442 18.869 21.887 1.00 0.00 C ATOM 410 NH1 ARG A 27 19.112 17.988 22.783 1.00 0.00 N ATOM 411 NH2 ARG A 27 20.276 18.476 20.981 1.00 0.00 N ATOM 0 H ARG A 27 21.305 22.593 24.383 1.00 0.00 H new ATOM 0 HA ARG A 27 18.989 22.652 26.129 1.00 0.00 H new ATOM 0 HB2 ARG A 27 20.257 20.529 24.363 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.833 20.240 25.342 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.697 22.197 24.224 1.00 0.00 H new ATOM 0 HG3 ARG A 27 19.111 22.418 23.212 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.407 19.897 23.236 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.203 21.213 22.097 1.00 0.00 H new ATOM 0 HE ARG A 27 19.356 20.708 21.124 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.444 18.230 23.515 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.521 17.054 22.755 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.562 19.115 20.239 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.649 17.527 21.008 1.00 0.00 H new ATOM 425 N GLU A 28 21.638 21.044 27.247 1.00 0.00 N ATOM 426 CA GLU A 28 22.160 20.512 28.527 1.00 0.00 C ATOM 427 C GLU A 28 22.332 21.603 29.608 1.00 0.00 C ATOM 428 O GLU A 28 22.258 21.318 30.805 1.00 0.00 O ATOM 429 CB GLU A 28 23.452 19.696 28.307 1.00 0.00 C ATOM 430 CG GLU A 28 23.776 18.861 29.563 1.00 0.00 C ATOM 431 CD GLU A 28 24.828 17.755 29.389 1.00 0.00 C ATOM 432 OE1 GLU A 28 26.034 18.060 29.254 1.00 0.00 O ATOM 433 OE2 GLU A 28 24.479 16.552 29.510 1.00 0.00 O ATOM 0 H GLU A 28 22.300 21.010 26.472 1.00 0.00 H new ATOM 0 HA GLU A 28 21.404 19.831 28.917 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.333 19.039 27.445 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.281 20.367 28.084 1.00 0.00 H new ATOM 0 HG2 GLU A 28 24.117 19.538 30.346 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.853 18.403 29.918 1.00 0.00 H new ATOM 440 N CYS A 29 22.490 22.866 29.198 1.00 0.00 N ATOM 441 CA CYS A 29 22.409 24.024 30.096 1.00 0.00 C ATOM 442 C CYS A 29 20.962 24.232 30.598 1.00 0.00 C ATOM 443 O CYS A 29 20.692 24.072 31.792 1.00 0.00 O ATOM 444 CB CYS A 29 22.988 25.254 29.378 1.00 0.00 C ATOM 445 SG CYS A 29 23.010 26.834 30.278 1.00 0.00 S ATOM 0 H CYS A 29 22.679 23.116 28.227 1.00 0.00 H new ATOM 0 HA CYS A 29 23.007 23.851 30.991 1.00 0.00 H new ATOM 0 HB2 CYS A 29 24.012 25.020 29.088 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.422 25.401 28.458 1.00 0.00 H new ATOM 450 N LYS A 30 20.006 24.488 29.689 1.00 0.00 N ATOM 451 CA LYS A 30 18.599 24.787 30.036 1.00 0.00 C ATOM 452 C LYS A 30 17.871 23.650 30.760 1.00 0.00 C ATOM 453 O LYS A 30 16.991 23.916 31.576 1.00 0.00 O ATOM 454 CB LYS A 30 17.839 25.215 28.770 1.00 0.00 C ATOM 455 CG LYS A 30 18.229 26.639 28.349 1.00 0.00 C ATOM 456 CD LYS A 30 17.551 27.034 27.031 1.00 0.00 C ATOM 457 CE LYS A 30 17.915 28.461 26.604 1.00 0.00 C ATOM 458 NZ LYS A 30 17.243 29.479 27.446 1.00 0.00 N ATOM 0 H LYS A 30 20.185 24.494 28.685 1.00 0.00 H new ATOM 0 HA LYS A 30 18.622 25.605 30.756 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.056 24.520 27.959 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.765 25.167 28.952 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.946 27.343 29.132 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.311 26.704 28.238 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.845 26.335 26.248 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.470 26.953 27.141 1.00 0.00 H new ATOM 0 HE2 LYS A 30 18.995 28.594 26.666 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.635 28.610 25.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.941 30.277 26.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.412 29.055 27.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.904 29.820 28.173 1.00 0.00 H new ATOM 472 N GLN A 31 18.254 22.396 30.517 1.00 0.00 N ATOM 473 CA GLN A 31 17.725 21.223 31.221 1.00 0.00 C ATOM 474 C GLN A 31 18.138 21.160 32.703 1.00 0.00 C ATOM 475 O GLN A 31 17.382 20.626 33.513 1.00 0.00 O ATOM 476 CB GLN A 31 18.207 19.953 30.508 1.00 0.00 C ATOM 477 CG GLN A 31 17.453 19.650 29.202 1.00 0.00 C ATOM 478 CD GLN A 31 18.107 18.533 28.389 1.00 0.00 C ATOM 479 OE1 GLN A 31 19.148 17.978 28.736 1.00 0.00 O ATOM 480 NE2 GLN A 31 17.525 18.158 27.272 1.00 0.00 N ATOM 0 H GLN A 31 18.953 22.161 29.813 1.00 0.00 H new ATOM 0 HA GLN A 31 16.638 21.303 31.201 1.00 0.00 H new ATOM 0 HB2 GLN A 31 19.270 20.052 30.288 1.00 0.00 H new ATOM 0 HB3 GLN A 31 18.099 19.105 31.184 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.426 19.370 29.437 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.406 20.555 28.596 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.661 18.609 26.971 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.937 17.416 26.706 1.00 0.00 H new ATOM 489 N GLN A 32 19.310 21.684 33.078 1.00 0.00 N ATOM 490 CA GLN A 32 19.853 21.544 34.437 1.00 0.00 C ATOM 491 C GLN A 32 19.722 22.822 35.274 1.00 0.00 C ATOM 492 O GLN A 32 19.288 22.757 36.426 1.00 0.00 O ATOM 493 CB GLN A 32 21.324 21.116 34.362 1.00 0.00 C ATOM 494 CG GLN A 32 21.529 19.700 33.804 1.00 0.00 C ATOM 495 CD GLN A 32 23.013 19.363 33.805 1.00 0.00 C ATOM 496 OE1 GLN A 32 23.519 18.630 34.647 1.00 0.00 O ATOM 497 NE2 GLN A 32 23.782 19.942 32.915 1.00 0.00 N ATOM 0 H GLN A 32 19.910 22.217 32.449 1.00 0.00 H new ATOM 0 HA GLN A 32 19.260 20.780 34.940 1.00 0.00 H new ATOM 0 HB2 GLN A 32 21.868 21.825 33.738 1.00 0.00 H new ATOM 0 HB3 GLN A 32 21.760 21.170 35.360 1.00 0.00 H new ATOM 0 HG2 GLN A 32 20.981 18.977 34.408 1.00 0.00 H new ATOM 0 HG3 GLN A 32 21.131 19.636 32.791 1.00 0.00 H new ATOM 0 HE21 GLN A 32 23.373 20.554 32.209 1.00 0.00 H new ATOM 0 HE22 GLN A 32 24.789 19.780 32.929 1.00 0.00 H new ATOM 506 N TYR A 33 20.080 23.979 34.711 1.00 0.00 N ATOM 507 CA TYR A 33 20.304 25.232 35.453 1.00 0.00 C ATOM 508 C TYR A 33 19.083 26.177 35.474 1.00 0.00 C ATOM 509 O TYR A 33 19.220 27.373 35.757 1.00 0.00 O ATOM 510 CB TYR A 33 21.583 25.900 34.922 1.00 0.00 C ATOM 511 CG TYR A 33 22.837 25.058 35.091 1.00 0.00 C ATOM 512 CD1 TYR A 33 23.550 25.085 36.304 1.00 0.00 C ATOM 513 CD2 TYR A 33 23.282 24.230 34.043 1.00 0.00 C ATOM 514 CE1 TYR A 33 24.702 24.290 36.466 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.426 23.426 34.201 1.00 0.00 C ATOM 516 CZ TYR A 33 25.142 23.457 35.413 1.00 0.00 C ATOM 517 OH TYR A 33 26.250 22.683 35.555 1.00 0.00 O ATOM 0 H TYR A 33 20.226 24.078 33.706 1.00 0.00 H new ATOM 0 HA TYR A 33 20.444 24.985 36.505 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.450 26.126 33.864 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.724 26.851 35.436 1.00 0.00 H new ATOM 0 HD1 TYR A 33 23.213 25.717 37.113 1.00 0.00 H new ATOM 0 HD2 TYR A 33 22.740 24.212 33.109 1.00 0.00 H new ATOM 0 HE1 TYR A 33 25.250 24.317 37.397 1.00 0.00 H new ATOM 0 HE2 TYR A 33 24.754 22.787 33.395 1.00 0.00 H new ATOM 0 HH TYR A 33 26.870 23.111 36.181 1.00 0.00 H new ATOM 527 N GLY A 34 17.896 25.639 35.176 1.00 0.00 N ATOM 528 CA GLY A 34 16.649 26.378 34.957 1.00 0.00 C ATOM 529 C GLY A 34 16.487 26.824 33.499 1.00 0.00 C ATOM 530 O GLY A 34 17.472 27.099 32.809 1.00 0.00 O ATOM 0 H GLY A 34 17.773 24.631 35.076 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.803 25.751 35.239 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.628 27.253 35.607 1.00 0.00 H new ATOM 534 N LYS A 35 15.244 26.914 33.016 1.00 0.00 N ATOM 535 CA LYS A 35 14.917 27.290 31.624 1.00 0.00 C ATOM 536 C LYS A 35 15.417 28.688 31.223 1.00 0.00 C ATOM 537 O LYS A 35 15.755 28.907 30.060 1.00 0.00 O ATOM 538 CB LYS A 35 13.403 27.132 31.390 1.00 0.00 C ATOM 539 CG LYS A 35 12.523 28.026 32.287 1.00 0.00 C ATOM 540 CD LYS A 35 11.026 27.865 31.999 1.00 0.00 C ATOM 541 CE LYS A 35 10.494 26.495 32.436 1.00 0.00 C ATOM 542 NZ LYS A 35 9.064 26.345 32.089 1.00 0.00 N ATOM 0 H LYS A 35 14.419 26.726 33.585 1.00 0.00 H new ATOM 0 HA LYS A 35 15.458 26.607 30.969 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.184 27.357 30.346 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.129 26.090 31.556 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.715 27.785 33.333 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.806 29.069 32.143 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.472 28.649 32.516 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.847 27.998 30.932 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.073 25.706 31.956 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.625 26.376 33.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.729 25.409 32.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.511 27.085 32.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.945 26.435 31.060 1.00 0.00 H new ATOM 556 N SER A 36 15.528 29.603 32.190 1.00 0.00 N ATOM 557 CA SER A 36 16.077 30.955 32.019 1.00 0.00 C ATOM 558 C SER A 36 17.610 31.029 32.124 1.00 0.00 C ATOM 559 O SER A 36 18.168 32.130 32.079 1.00 0.00 O ATOM 560 CB SER A 36 15.434 31.929 33.010 1.00 0.00 C ATOM 561 OG SER A 36 14.024 31.923 32.927 1.00 0.00 O ATOM 0 H SER A 36 15.228 29.418 33.147 1.00 0.00 H new ATOM 0 HA SER A 36 15.828 31.245 30.998 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.737 31.666 34.023 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.803 32.936 32.818 1.00 0.00 H new ATOM 0 HG SER A 36 13.655 32.557 33.577 1.00 0.00 H new ATOM 567 N SER A 37 18.315 29.896 32.229 1.00 0.00 N ATOM 568 CA SER A 37 19.740 29.822 31.871 1.00 0.00 C ATOM 569 C SER A 37 19.918 29.877 30.344 1.00 0.00 C ATOM 570 O SER A 37 18.965 29.655 29.596 1.00 0.00 O ATOM 571 CB SER A 37 20.414 28.586 32.477 1.00 0.00 C ATOM 572 OG SER A 37 19.926 27.396 31.902 1.00 0.00 O ATOM 0 H SER A 37 17.922 29.015 32.560 1.00 0.00 H new ATOM 0 HA SER A 37 20.239 30.692 32.298 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.492 28.648 32.327 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.242 28.568 33.553 1.00 0.00 H new ATOM 0 HG SER A 37 19.004 27.244 32.197 1.00 0.00 H new ATOM 578 N GLY A 38 21.121 30.197 29.865 1.00 0.00 N ATOM 579 CA GLY A 38 21.448 30.250 28.436 1.00 0.00 C ATOM 580 C GLY A 38 22.732 29.485 28.122 1.00 0.00 C ATOM 581 O GLY A 38 23.782 29.802 28.687 1.00 0.00 O ATOM 0 H GLY A 38 21.910 30.431 30.468 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.624 29.831 27.858 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.558 31.289 28.126 1.00 0.00 H new ATOM 585 N GLY A 39 22.646 28.487 27.242 1.00 0.00 N ATOM 586 CA GLY A 39 23.767 27.645 26.819 1.00 0.00 C ATOM 587 C GLY A 39 24.311 28.052 25.450 1.00 0.00 C ATOM 588 O GLY A 39 23.552 28.209 24.487 1.00 0.00 O ATOM 0 H GLY A 39 21.768 28.234 26.790 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.565 27.708 27.558 1.00 0.00 H new ATOM 0 HA3 GLY A 39 23.445 26.604 26.785 1.00 0.00 H new ATOM 592 N TYR A 40 25.628 28.232 25.379 1.00 0.00 N ATOM 593 CA TYR A 40 26.355 28.855 24.267 1.00 0.00 C ATOM 594 C TYR A 40 27.744 28.217 24.106 1.00 0.00 C ATOM 595 O TYR A 40 28.082 27.250 24.791 1.00 0.00 O ATOM 596 CB TYR A 40 26.482 30.373 24.542 1.00 0.00 C ATOM 597 CG TYR A 40 25.160 31.086 24.765 1.00 0.00 C ATOM 598 CD1 TYR A 40 24.226 31.162 23.715 1.00 0.00 C ATOM 599 CD2 TYR A 40 24.839 31.619 26.029 1.00 0.00 C ATOM 600 CE1 TYR A 40 22.948 31.701 23.944 1.00 0.00 C ATOM 601 CE2 TYR A 40 23.565 32.176 26.252 1.00 0.00 C ATOM 602 CZ TYR A 40 22.604 32.181 25.223 1.00 0.00 C ATOM 603 OH TYR A 40 21.355 32.648 25.481 1.00 0.00 O ATOM 0 H TYR A 40 26.251 27.934 26.130 1.00 0.00 H new ATOM 0 HA TYR A 40 25.807 28.697 23.338 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.111 30.519 25.420 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.995 30.840 23.701 1.00 0.00 H new ATOM 0 HD1 TYR A 40 24.492 30.805 22.731 1.00 0.00 H new ATOM 0 HD2 TYR A 40 25.568 31.600 26.825 1.00 0.00 H new ATOM 0 HE1 TYR A 40 22.230 31.747 23.139 1.00 0.00 H new ATOM 0 HE2 TYR A 40 23.324 32.601 27.215 1.00 0.00 H new ATOM 0 HH TYR A 40 21.300 32.936 26.416 1.00 0.00 H new ATOM 613 N CYS A 41 28.574 28.793 23.235 1.00 0.00 N ATOM 614 CA CYS A 41 30.012 28.537 23.211 1.00 0.00 C ATOM 615 C CYS A 41 30.791 29.717 23.823 1.00 0.00 C ATOM 616 O CYS A 41 30.403 30.879 23.651 1.00 0.00 O ATOM 617 CB CYS A 41 30.450 28.198 21.784 1.00 0.00 C ATOM 618 SG CYS A 41 29.522 26.821 21.057 1.00 0.00 S ATOM 0 H CYS A 41 28.264 29.454 22.523 1.00 0.00 H new ATOM 0 HA CYS A 41 30.243 27.673 23.834 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.330 29.080 21.155 1.00 0.00 H new ATOM 0 HB3 CYS A 41 31.512 27.951 21.786 1.00 0.00 H new ATOM 623 N TYR A 42 31.882 29.416 24.532 1.00 0.00 N ATOM 624 CA TYR A 42 32.863 30.361 25.075 1.00 0.00 C ATOM 625 C TYR A 42 34.244 29.698 24.986 1.00 0.00 C ATOM 626 O TYR A 42 34.347 28.483 25.158 1.00 0.00 O ATOM 627 CB TYR A 42 32.485 30.683 26.523 1.00 0.00 C ATOM 628 CG TYR A 42 33.235 31.818 27.196 1.00 0.00 C ATOM 629 CD1 TYR A 42 34.509 31.595 27.753 1.00 0.00 C ATOM 630 CD2 TYR A 42 32.613 33.070 27.352 1.00 0.00 C ATOM 631 CE1 TYR A 42 35.152 32.618 28.479 1.00 0.00 C ATOM 632 CE2 TYR A 42 33.248 34.090 28.085 1.00 0.00 C ATOM 633 CZ TYR A 42 34.510 33.858 28.667 1.00 0.00 C ATOM 634 OH TYR A 42 35.087 34.819 29.430 1.00 0.00 O ATOM 0 H TYR A 42 32.119 28.449 24.756 1.00 0.00 H new ATOM 0 HA TYR A 42 32.880 31.297 24.516 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.421 30.917 26.551 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.629 29.782 27.119 1.00 0.00 H new ATOM 0 HD1 TYR A 42 34.994 30.639 27.624 1.00 0.00 H new ATOM 0 HD2 TYR A 42 31.645 33.249 26.908 1.00 0.00 H new ATOM 0 HE1 TYR A 42 36.136 32.451 28.891 1.00 0.00 H new ATOM 0 HE2 TYR A 42 32.768 35.050 28.201 1.00 0.00 H new ATOM 0 HH TYR A 42 34.509 35.610 29.452 1.00 0.00 H new ATOM 644 N ALA A 43 35.298 30.443 24.646 1.00 0.00 N ATOM 645 CA ALA A 43 36.579 29.876 24.196 1.00 0.00 C ATOM 646 C ALA A 43 36.416 28.791 23.095 1.00 0.00 C ATOM 647 O ALA A 43 37.125 27.783 23.070 1.00 0.00 O ATOM 648 CB ALA A 43 37.396 29.425 25.413 1.00 0.00 C ATOM 0 H ALA A 43 35.291 31.463 24.674 1.00 0.00 H new ATOM 0 HA ALA A 43 37.149 30.657 23.693 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.345 29.005 25.079 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.586 30.281 26.061 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.839 28.668 25.965 1.00 0.00 H new ATOM 654 N PHE A 44 35.426 28.976 22.211 1.00 0.00 N ATOM 655 CA PHE A 44 34.965 28.016 21.194 1.00 0.00 C ATOM 656 C PHE A 44 34.493 26.644 21.742 1.00 0.00 C ATOM 657 O PHE A 44 34.457 25.660 21.004 1.00 0.00 O ATOM 658 CB PHE A 44 36.008 27.924 20.061 1.00 0.00 C ATOM 659 CG PHE A 44 35.436 27.694 18.673 1.00 0.00 C ATOM 660 CD1 PHE A 44 34.929 28.784 17.939 1.00 0.00 C ATOM 661 CD2 PHE A 44 35.452 26.413 18.088 1.00 0.00 C ATOM 662 CE1 PHE A 44 34.444 28.596 16.632 1.00 0.00 C ATOM 663 CE2 PHE A 44 34.971 26.227 16.780 1.00 0.00 C ATOM 664 CZ PHE A 44 34.463 27.316 16.052 1.00 0.00 C ATOM 0 H PHE A 44 34.895 29.847 22.183 1.00 0.00 H new ATOM 0 HA PHE A 44 34.039 28.411 20.776 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.590 28.846 20.049 1.00 0.00 H new ATOM 0 HB3 PHE A 44 36.700 27.113 20.290 1.00 0.00 H new ATOM 0 HD1 PHE A 44 34.913 29.769 18.382 1.00 0.00 H new ATOM 0 HD2 PHE A 44 35.835 25.571 18.646 1.00 0.00 H new ATOM 0 HE1 PHE A 44 34.057 29.436 16.074 1.00 0.00 H new ATOM 0 HE2 PHE A 44 34.992 25.244 16.333 1.00 0.00 H new ATOM 0 HZ PHE A 44 34.088 27.170 15.050 1.00 0.00 H new ATOM 674 N ALA A 45 34.116 26.547 23.023 1.00 0.00 N ATOM 675 CA ALA A 45 33.734 25.300 23.699 1.00 0.00 C ATOM 676 C ALA A 45 32.511 25.463 24.636 1.00 0.00 C ATOM 677 O ALA A 45 32.007 26.567 24.830 1.00 0.00 O ATOM 678 CB ALA A 45 34.982 24.775 24.415 1.00 0.00 C ATOM 0 H ALA A 45 34.067 27.360 23.637 1.00 0.00 H new ATOM 0 HA ALA A 45 33.392 24.569 22.967 1.00 0.00 H new ATOM 0 HB1 ALA A 45 34.741 23.846 24.932 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.770 24.590 23.685 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.325 25.515 25.139 1.00 0.00 H new ATOM 684 N CYS A 46 31.983 24.352 25.164 1.00 0.00 N ATOM 685 CA CYS A 46 30.619 24.267 25.710 1.00 0.00 C ATOM 686 C CYS A 46 30.404 25.041 27.035 1.00 0.00 C ATOM 687 O CYS A 46 31.000 24.720 28.066 1.00 0.00 O ATOM 688 CB CYS A 46 30.278 22.775 25.847 1.00 0.00 C ATOM 689 SG CYS A 46 28.521 22.337 25.849 1.00 0.00 S ATOM 0 H CYS A 46 32.497 23.473 25.226 1.00 0.00 H new ATOM 0 HA CYS A 46 29.938 24.765 25.020 1.00 0.00 H new ATOM 0 HB2 CYS A 46 30.761 22.240 25.030 1.00 0.00 H new ATOM 0 HB3 CYS A 46 30.721 22.409 26.773 1.00 0.00 H new ATOM 694 N TRP A 47 29.517 26.043 27.025 1.00 0.00 N ATOM 695 CA TRP A 47 29.375 27.046 28.093 1.00 0.00 C ATOM 696 C TRP A 47 27.916 27.254 28.531 1.00 0.00 C ATOM 697 O TRP A 47 26.990 27.094 27.734 1.00 0.00 O ATOM 698 CB TRP A 47 29.985 28.359 27.586 1.00 0.00 C ATOM 699 CG TRP A 47 30.288 29.394 28.626 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.635 30.565 28.802 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.393 29.411 29.581 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.242 31.289 29.810 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.327 30.621 30.334 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.464 28.537 29.858 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.255 30.930 31.340 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.409 28.842 30.858 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.305 30.031 31.601 1.00 0.00 C ATOM 0 H TRP A 47 28.861 26.184 26.257 1.00 0.00 H new ATOM 0 HA TRP A 47 29.898 26.690 28.980 1.00 0.00 H new ATOM 0 HB2 TRP A 47 30.909 28.125 27.056 1.00 0.00 H new ATOM 0 HB3 TRP A 47 29.301 28.795 26.858 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.770 30.886 28.240 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.926 32.205 30.127 1.00 0.00 H new ATOM 0 HE3 TRP A 47 32.562 27.620 29.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 32.164 31.845 31.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.220 28.157 31.055 1.00 0.00 H new ATOM 0 HH2 TRP A 47 34.030 30.254 32.370 1.00 0.00 H new ATOM 718 N CYS A 48 27.702 27.646 29.790 1.00 0.00 N ATOM 719 CA CYS A 48 26.380 27.902 30.367 1.00 0.00 C ATOM 720 C CYS A 48 26.370 29.205 31.183 1.00 0.00 C ATOM 721 O CYS A 48 27.346 29.564 31.843 1.00 0.00 O ATOM 722 CB CYS A 48 25.965 26.671 31.180 1.00 0.00 C ATOM 723 SG CYS A 48 24.282 26.621 31.861 1.00 0.00 S ATOM 0 H CYS A 48 28.463 27.798 30.453 1.00 0.00 H new ATOM 0 HA CYS A 48 25.642 28.056 29.579 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.094 25.794 30.546 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.664 26.569 32.010 1.00 0.00 H new ATOM 728 N THR A 49 25.268 29.948 31.096 1.00 0.00 N ATOM 729 CA THR A 49 25.146 31.335 31.579 1.00 0.00 C ATOM 730 C THR A 49 23.799 31.582 32.256 1.00 0.00 C ATOM 731 O THR A 49 22.863 30.801 32.083 1.00 0.00 O ATOM 732 CB THR A 49 25.360 32.350 30.441 1.00 0.00 C ATOM 733 OG1 THR A 49 24.297 32.349 29.521 1.00 0.00 O ATOM 734 CG2 THR A 49 26.625 32.104 29.626 1.00 0.00 C ATOM 0 H THR A 49 24.407 29.598 30.676 1.00 0.00 H new ATOM 0 HA THR A 49 25.931 31.478 32.321 1.00 0.00 H new ATOM 0 HB THR A 49 25.436 33.304 30.963 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.152 31.438 29.190 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.706 32.859 28.844 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.496 32.163 30.279 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.578 31.114 29.172 1.00 0.00 H new ATOM 742 N HIS A 50 23.691 32.667 33.027 1.00 0.00 N ATOM 743 CA HIS A 50 22.502 33.025 33.818 1.00 0.00 C ATOM 744 C HIS A 50 22.070 31.939 34.830 1.00 0.00 C ATOM 745 O HIS A 50 20.895 31.840 35.202 1.00 0.00 O ATOM 746 CB HIS A 50 21.371 33.521 32.895 1.00 0.00 C ATOM 747 CG HIS A 50 21.775 34.586 31.901 1.00 0.00 C ATOM 748 ND1 HIS A 50 22.327 35.833 32.214 1.00 0.00 N ATOM 749 CD2 HIS A 50 21.594 34.518 30.551 1.00 0.00 C ATOM 750 CE1 HIS A 50 22.424 36.497 31.049 1.00 0.00 C ATOM 751 NE2 HIS A 50 21.997 35.730 30.036 1.00 0.00 N ATOM 0 H HIS A 50 24.449 33.343 33.124 1.00 0.00 H new ATOM 0 HA HIS A 50 22.777 33.860 34.462 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.970 32.668 32.347 1.00 0.00 H new ATOM 0 HB3 HIS A 50 20.563 33.911 33.514 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.209 33.677 29.994 1.00 0.00 H new ATOM 0 HE1 HIS A 50 22.794 37.506 30.944 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.974 35.998 29.052 1.00 0.00 H new ATOM 759 N LEU A 51 23.025 31.132 35.308 1.00 0.00 N ATOM 760 CA LEU A 51 22.833 30.163 36.396 1.00 0.00 C ATOM 761 C LEU A 51 23.070 30.801 37.776 1.00 0.00 C ATOM 762 O LEU A 51 23.740 31.832 37.887 1.00 0.00 O ATOM 763 CB LEU A 51 23.691 28.908 36.160 1.00 0.00 C ATOM 764 CG LEU A 51 25.215 29.128 36.276 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.827 28.222 37.342 1.00 0.00 C ATOM 766 CD2 LEU A 51 25.906 28.861 34.939 1.00 0.00 C ATOM 0 H LEU A 51 23.976 31.134 34.940 1.00 0.00 H new ATOM 0 HA LEU A 51 21.791 29.843 36.392 1.00 0.00 H new ATOM 0 HB2 LEU A 51 23.394 28.143 36.877 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.470 28.517 35.167 1.00 0.00 H new ATOM 0 HG LEU A 51 25.368 30.168 36.564 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.901 28.401 37.399 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.371 28.438 38.308 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.646 27.179 37.081 1.00 0.00 H new ATOM 0 HD21 LEU A 51 26.979 29.022 35.045 1.00 0.00 H new ATOM 0 HD22 LEU A 51 25.722 27.831 34.634 1.00 0.00 H new ATOM 0 HD23 LEU A 51 25.510 29.539 34.183 1.00 0.00 H new ATOM 778 N TYR A 52 22.517 30.192 38.824 1.00 0.00 N ATOM 779 CA TYR A 52 22.519 30.752 40.181 1.00 0.00 C ATOM 780 C TYR A 52 23.743 30.307 40.995 1.00 0.00 C ATOM 781 O TYR A 52 24.289 29.227 40.777 1.00 0.00 O ATOM 782 CB TYR A 52 21.200 30.402 40.887 1.00 0.00 C ATOM 783 CG TYR A 52 19.985 31.189 40.416 1.00 0.00 C ATOM 784 CD1 TYR A 52 19.526 31.084 39.088 1.00 0.00 C ATOM 785 CD2 TYR A 52 19.304 32.031 41.319 1.00 0.00 C ATOM 786 CE1 TYR A 52 18.413 31.829 38.660 1.00 0.00 C ATOM 787 CE2 TYR A 52 18.163 32.744 40.903 1.00 0.00 C ATOM 788 CZ TYR A 52 17.712 32.642 39.571 1.00 0.00 C ATOM 789 OH TYR A 52 16.582 33.289 39.187 1.00 0.00 O ATOM 0 H TYR A 52 22.050 29.288 38.758 1.00 0.00 H new ATOM 0 HA TYR A 52 22.595 31.837 40.102 1.00 0.00 H new ATOM 0 HB2 TYR A 52 21.002 29.339 40.746 1.00 0.00 H new ATOM 0 HB3 TYR A 52 21.325 30.564 41.958 1.00 0.00 H new ATOM 0 HD1 TYR A 52 20.032 30.428 38.395 1.00 0.00 H new ATOM 0 HD2 TYR A 52 19.659 32.130 42.334 1.00 0.00 H new ATOM 0 HE1 TYR A 52 18.095 31.777 37.629 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.633 33.370 41.605 1.00 0.00 H new ATOM 0 HH TYR A 52 16.227 33.804 39.942 1.00 0.00 H new ATOM 799 N GLU A 53 24.168 31.116 41.973 1.00 0.00 N ATOM 800 CA GLU A 53 25.395 30.869 42.759 1.00 0.00 C ATOM 801 C GLU A 53 25.378 29.594 43.638 1.00 0.00 C ATOM 802 O GLU A 53 26.415 29.184 44.168 1.00 0.00 O ATOM 803 CB GLU A 53 25.776 32.126 43.567 1.00 0.00 C ATOM 804 CG GLU A 53 24.735 32.563 44.611 1.00 0.00 C ATOM 805 CD GLU A 53 25.295 33.632 45.562 1.00 0.00 C ATOM 806 OE1 GLU A 53 25.684 34.740 45.114 1.00 0.00 O ATOM 807 OE2 GLU A 53 25.382 33.367 46.788 1.00 0.00 O ATOM 0 H GLU A 53 23.673 31.965 42.247 1.00 0.00 H new ATOM 0 HA GLU A 53 26.174 30.661 42.025 1.00 0.00 H new ATOM 0 HB2 GLU A 53 26.723 31.941 44.074 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.942 32.950 42.873 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.853 32.954 44.103 1.00 0.00 H new ATOM 0 HG3 GLU A 53 24.413 31.696 45.188 1.00 0.00 H new ATOM 814 N GLN A 54 24.234 28.916 43.774 1.00 0.00 N ATOM 815 CA GLN A 54 24.143 27.603 44.424 1.00 0.00 C ATOM 816 C GLN A 54 24.517 26.423 43.501 1.00 0.00 C ATOM 817 O GLN A 54 24.774 25.325 44.004 1.00 0.00 O ATOM 818 CB GLN A 54 22.733 27.394 44.995 1.00 0.00 C ATOM 819 CG GLN A 54 22.317 28.445 46.040 1.00 0.00 C ATOM 820 CD GLN A 54 21.755 29.746 45.466 1.00 0.00 C ATOM 821 OE1 GLN A 54 21.343 29.844 44.317 1.00 0.00 O ATOM 822 NE2 GLN A 54 21.702 30.792 46.257 1.00 0.00 N ATOM 0 H GLN A 54 23.338 29.265 43.434 1.00 0.00 H new ATOM 0 HA GLN A 54 24.880 27.610 45.227 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.015 27.408 44.175 1.00 0.00 H new ATOM 0 HB3 GLN A 54 22.679 26.405 45.449 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.568 28.004 46.698 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.183 28.683 46.657 1.00 0.00 H new ATOM 0 HE21 GLN A 54 22.042 30.724 47.216 1.00 0.00 H new ATOM 0 HE22 GLN A 54 21.321 31.673 45.912 1.00 0.00 H new ATOM 831 N ALA A 55 24.558 26.615 42.177 1.00 0.00 N ATOM 832 CA ALA A 55 24.703 25.536 41.196 1.00 0.00 C ATOM 833 C ALA A 55 26.158 25.305 40.739 1.00 0.00 C ATOM 834 O ALA A 55 26.920 26.259 40.569 1.00 0.00 O ATOM 835 CB ALA A 55 23.764 25.819 40.019 1.00 0.00 C ATOM 0 H ALA A 55 24.490 27.540 41.752 1.00 0.00 H new ATOM 0 HA ALA A 55 24.422 24.599 41.676 1.00 0.00 H new ATOM 0 HB1 ALA A 55 23.859 25.025 39.279 1.00 0.00 H new ATOM 0 HB2 ALA A 55 22.735 25.861 40.376 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.029 26.773 39.564 1.00 0.00 H new ATOM 841 N VAL A 56 26.548 24.044 40.517 1.00 0.00 N ATOM 842 CA VAL A 56 27.935 23.660 40.186 1.00 0.00 C ATOM 843 C VAL A 56 28.240 23.746 38.683 1.00 0.00 C ATOM 844 O VAL A 56 27.471 23.273 37.847 1.00 0.00 O ATOM 845 CB VAL A 56 28.294 22.288 40.797 1.00 0.00 C ATOM 846 CG1 VAL A 56 27.589 21.096 40.139 1.00 0.00 C ATOM 847 CG2 VAL A 56 29.807 22.039 40.766 1.00 0.00 C ATOM 0 H VAL A 56 25.908 23.251 40.561 1.00 0.00 H new ATOM 0 HA VAL A 56 28.590 24.398 40.648 1.00 0.00 H new ATOM 0 HB VAL A 56 27.936 22.350 41.825 1.00 0.00 H new ATOM 0 HG11 VAL A 56 27.899 20.174 40.630 1.00 0.00 H new ATOM 0 HG12 VAL A 56 26.510 21.213 40.235 1.00 0.00 H new ATOM 0 HG13 VAL A 56 27.856 21.053 39.083 1.00 0.00 H new ATOM 0 HG21 VAL A 56 30.024 21.065 41.204 1.00 0.00 H new ATOM 0 HG22 VAL A 56 30.158 22.060 39.734 1.00 0.00 H new ATOM 0 HG23 VAL A 56 30.315 22.815 41.338 1.00 0.00 H new ATOM 857 N VAL A 57 29.389 24.330 38.331 1.00 0.00 N ATOM 858 CA VAL A 57 29.917 24.471 36.957 1.00 0.00 C ATOM 859 C VAL A 57 31.428 24.239 36.937 1.00 0.00 C ATOM 860 O VAL A 57 32.097 24.393 37.961 1.00 0.00 O ATOM 861 CB VAL A 57 29.586 25.842 36.329 1.00 0.00 C ATOM 862 CG1 VAL A 57 28.143 25.874 35.826 1.00 0.00 C ATOM 863 CG2 VAL A 57 29.821 27.030 37.275 1.00 0.00 C ATOM 0 H VAL A 57 30.013 24.740 39.026 1.00 0.00 H new ATOM 0 HA VAL A 57 29.422 23.711 36.353 1.00 0.00 H new ATOM 0 HB VAL A 57 30.279 25.955 35.496 1.00 0.00 H new ATOM 0 HG11 VAL A 57 27.932 26.849 35.388 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.003 25.099 35.072 1.00 0.00 H new ATOM 0 HG13 VAL A 57 27.463 25.696 36.659 1.00 0.00 H new ATOM 0 HG21 VAL A 57 29.567 27.958 36.763 1.00 0.00 H new ATOM 0 HG22 VAL A 57 29.194 26.920 38.160 1.00 0.00 H new ATOM 0 HG23 VAL A 57 30.869 27.056 37.574 1.00 0.00 H new ATOM 873 N TRP A 58 31.976 23.851 35.786 1.00 0.00 N ATOM 874 CA TRP A 58 33.383 23.450 35.646 1.00 0.00 C ATOM 875 C TRP A 58 34.337 24.612 35.283 1.00 0.00 C ATOM 876 O TRP A 58 33.882 25.676 34.841 1.00 0.00 O ATOM 877 CB TRP A 58 33.471 22.238 34.696 1.00 0.00 C ATOM 878 CG TRP A 58 33.652 20.922 35.403 1.00 0.00 C ATOM 879 CD1 TRP A 58 32.891 20.473 36.429 1.00 0.00 C ATOM 880 CD2 TRP A 58 34.673 19.893 35.192 1.00 0.00 C ATOM 881 NE1 TRP A 58 33.357 19.246 36.859 1.00 0.00 N ATOM 882 CE2 TRP A 58 34.461 18.844 36.138 1.00 0.00 C ATOM 883 CE3 TRP A 58 35.768 19.745 34.310 1.00 0.00 C ATOM 884 CZ2 TRP A 58 35.286 17.712 36.207 1.00 0.00 C ATOM 885 CZ3 TRP A 58 36.604 18.611 34.368 1.00 0.00 C ATOM 886 CH2 TRP A 58 36.367 17.597 35.315 1.00 0.00 C ATOM 0 H TRP A 58 31.453 23.804 34.912 1.00 0.00 H new ATOM 0 HA TRP A 58 33.750 23.141 36.625 1.00 0.00 H new ATOM 0 HB2 TRP A 58 32.564 22.194 34.094 1.00 0.00 H new ATOM 0 HB3 TRP A 58 34.303 22.387 34.008 1.00 0.00 H new ATOM 0 HD1 TRP A 58 32.045 20.997 36.849 1.00 0.00 H new ATOM 0 HE1 TRP A 58 32.937 18.705 37.615 1.00 0.00 H new ATOM 0 HE3 TRP A 58 35.968 20.514 33.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 35.094 16.939 36.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 37.432 18.520 33.681 1.00 0.00 H new ATOM 0 HH2 TRP A 58 37.014 16.733 35.356 1.00 0.00 H new ATOM 897 N PRO A 59 35.661 24.438 35.486 1.00 0.00 N ATOM 898 CA PRO A 59 36.682 25.435 35.151 1.00 0.00 C ATOM 899 C PRO A 59 36.899 25.585 33.637 1.00 0.00 C ATOM 900 O PRO A 59 36.463 24.746 32.842 1.00 0.00 O ATOM 901 CB PRO A 59 37.961 24.938 35.833 1.00 0.00 C ATOM 902 CG PRO A 59 37.796 23.423 35.820 1.00 0.00 C ATOM 903 CD PRO A 59 36.301 23.257 36.062 1.00 0.00 C ATOM 0 HA PRO A 59 36.377 26.425 35.491 1.00 0.00 H new ATOM 0 HB2 PRO A 59 38.854 25.251 35.291 1.00 0.00 H new ATOM 0 HB3 PRO A 59 38.052 25.324 36.848 1.00 0.00 H new ATOM 0 HG2 PRO A 59 38.105 22.988 34.869 1.00 0.00 H new ATOM 0 HG3 PRO A 59 38.390 22.943 36.598 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.930 22.346 35.593 1.00 0.00 H new ATOM 0 HD3 PRO A 59 36.086 23.178 37.128 1.00 0.00 H new ATOM 911 N LEU A 60 37.647 26.624 33.248 1.00 0.00 N ATOM 912 CA LEU A 60 38.056 26.886 31.866 1.00 0.00 C ATOM 913 C LEU A 60 39.584 26.719 31.683 1.00 0.00 C ATOM 914 O LEU A 60 40.340 27.693 31.804 1.00 0.00 O ATOM 915 CB LEU A 60 37.513 28.263 31.452 1.00 0.00 C ATOM 916 CG LEU A 60 37.797 28.652 29.992 1.00 0.00 C ATOM 917 CD1 LEU A 60 37.396 27.573 28.981 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.013 29.916 29.661 1.00 0.00 C ATOM 0 H LEU A 60 37.993 27.324 33.905 1.00 0.00 H new ATOM 0 HA LEU A 60 37.625 26.146 31.191 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.435 28.278 31.615 1.00 0.00 H new ATOM 0 HB3 LEU A 60 37.944 29.021 32.106 1.00 0.00 H new ATOM 0 HG LEU A 60 38.874 28.795 29.911 1.00 0.00 H new ATOM 0 HD11 LEU A 60 37.625 27.916 27.972 1.00 0.00 H new ATOM 0 HD12 LEU A 60 37.950 26.657 29.187 1.00 0.00 H new ATOM 0 HD13 LEU A 60 36.327 27.377 29.063 1.00 0.00 H new ATOM 0 HD21 LEU A 60 37.206 30.203 28.627 1.00 0.00 H new ATOM 0 HD22 LEU A 60 35.947 29.728 29.793 1.00 0.00 H new ATOM 0 HD23 LEU A 60 37.324 30.722 30.326 1.00 0.00 H new ATOM 930 N PRO A 61 40.068 25.492 31.407 1.00 0.00 N ATOM 931 CA PRO A 61 41.480 25.217 31.155 1.00 0.00 C ATOM 932 C PRO A 61 41.931 25.718 29.775 1.00 0.00 C ATOM 933 O PRO A 61 41.114 25.919 28.864 1.00 0.00 O ATOM 934 CB PRO A 61 41.619 23.698 31.286 1.00 0.00 C ATOM 935 CG PRO A 61 40.268 23.191 30.787 1.00 0.00 C ATOM 936 CD PRO A 61 39.304 24.256 31.303 1.00 0.00 C ATOM 0 HA PRO A 61 42.122 25.744 31.861 1.00 0.00 H new ATOM 0 HB2 PRO A 61 42.443 23.314 30.684 1.00 0.00 H new ATOM 0 HB3 PRO A 61 41.809 23.396 32.316 1.00 0.00 H new ATOM 0 HG2 PRO A 61 40.241 23.111 29.700 1.00 0.00 H new ATOM 0 HG3 PRO A 61 40.033 22.204 31.185 1.00 0.00 H new ATOM 0 HD2 PRO A 61 38.461 24.378 30.623 1.00 0.00 H new ATOM 0 HD3 PRO A 61 38.894 23.971 32.272 1.00 0.00 H new ATOM 944 N ASN A 62 43.243 25.891 29.609 1.00 0.00 N ATOM 945 CA ASN A 62 43.868 26.275 28.340 1.00 0.00 C ATOM 946 C ASN A 62 43.800 25.123 27.307 1.00 0.00 C ATOM 947 O ASN A 62 43.374 25.332 26.164 1.00 0.00 O ATOM 948 CB ASN A 62 45.298 26.756 28.661 1.00 0.00 C ATOM 949 CG ASN A 62 46.046 27.346 27.479 1.00 0.00 C ATOM 950 OD1 ASN A 62 45.569 27.393 26.354 1.00 0.00 O ATOM 951 ND2 ASN A 62 47.253 27.802 27.689 1.00 0.00 N ATOM 0 H ASN A 62 43.915 25.766 30.366 1.00 0.00 H new ATOM 0 HA ASN A 62 43.330 27.093 27.861 1.00 0.00 H new ATOM 0 HB2 ASN A 62 45.247 27.504 29.452 1.00 0.00 H new ATOM 0 HB3 ASN A 62 45.870 25.916 29.054 1.00 0.00 H new ATOM 0 HD21 ASN A 62 47.792 28.194 26.917 1.00 0.00 H new ATOM 0 HD22 ASN A 62 47.656 27.766 28.625 1.00 0.00 H new ATOM 958 N LYS A 63 44.123 23.892 27.731 1.00 0.00 N ATOM 959 CA LYS A 63 43.885 22.646 26.980 1.00 0.00 C ATOM 960 C LYS A 63 42.487 22.109 27.303 1.00 0.00 C ATOM 961 O LYS A 63 42.176 21.857 28.467 1.00 0.00 O ATOM 962 CB LYS A 63 44.975 21.603 27.296 1.00 0.00 C ATOM 963 CG LYS A 63 46.393 22.126 27.017 1.00 0.00 C ATOM 964 CD LYS A 63 47.448 21.014 27.078 1.00 0.00 C ATOM 965 CE LYS A 63 48.839 21.600 26.805 1.00 0.00 C ATOM 966 NZ LYS A 63 49.817 20.553 26.437 1.00 0.00 N ATOM 0 H LYS A 63 44.571 23.729 28.633 1.00 0.00 H new ATOM 0 HA LYS A 63 43.936 22.856 25.912 1.00 0.00 H new ATOM 0 HB2 LYS A 63 44.899 21.310 28.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 44.799 20.707 26.701 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.418 22.593 26.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 46.642 22.900 27.744 1.00 0.00 H new ATOM 0 HD2 LYS A 63 47.430 20.537 28.058 1.00 0.00 H new ATOM 0 HD3 LYS A 63 47.218 20.242 26.344 1.00 0.00 H new ATOM 0 HE2 LYS A 63 48.773 22.333 26.001 1.00 0.00 H new ATOM 0 HE3 LYS A 63 49.190 22.129 27.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 50.744 20.990 26.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 49.900 19.867 27.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 49.496 20.065 25.577 1.00 0.00 H new ATOM 980 N THR A 64 41.634 21.939 26.294 1.00 0.00 N ATOM 981 CA THR A 64 40.203 21.628 26.476 1.00 0.00 C ATOM 982 C THR A 64 39.986 20.260 27.128 1.00 0.00 C ATOM 983 O THR A 64 40.712 19.306 26.843 1.00 0.00 O ATOM 984 CB THR A 64 39.449 21.791 25.143 1.00 0.00 C ATOM 985 OG1 THR A 64 39.612 23.126 24.701 1.00 0.00 O ATOM 986 CG2 THR A 64 37.944 21.534 25.192 1.00 0.00 C ATOM 0 H THR A 64 41.912 22.012 25.315 1.00 0.00 H new ATOM 0 HA THR A 64 39.781 22.347 27.178 1.00 0.00 H new ATOM 0 HB THR A 64 39.878 21.037 24.483 1.00 0.00 H new ATOM 0 HG1 THR A 64 39.140 23.249 23.851 1.00 0.00 H new ATOM 0 HG21 THR A 64 37.518 21.678 24.199 1.00 0.00 H new ATOM 0 HG22 THR A 64 37.760 20.511 25.521 1.00 0.00 H new ATOM 0 HG23 THR A 64 37.479 22.229 25.891 1.00 0.00 H new ATOM 994 N CYS A 65 39.007 20.170 28.037 1.00 0.00 N ATOM 995 CA CYS A 65 38.889 19.062 28.996 1.00 0.00 C ATOM 996 C CYS A 65 38.671 17.668 28.382 1.00 0.00 C ATOM 997 O CYS A 65 38.983 16.665 29.032 1.00 0.00 O ATOM 998 CB CYS A 65 37.748 19.368 29.979 1.00 0.00 C ATOM 999 SG CYS A 65 36.084 19.405 29.247 1.00 0.00 S ATOM 0 H CYS A 65 38.269 20.868 28.129 1.00 0.00 H new ATOM 0 HA CYS A 65 39.858 19.006 29.492 1.00 0.00 H new ATOM 0 HB2 CYS A 65 37.762 18.620 30.771 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.943 20.333 30.448 1.00 0.00 H new ATOM 1004 N ASN A 66 38.101 17.582 27.174 1.00 0.00 N ATOM 1005 CA ASN A 66 37.727 16.326 26.523 1.00 0.00 C ATOM 1006 C ASN A 66 37.612 16.480 24.989 1.00 0.00 C ATOM 1007 O ASN A 66 37.508 17.590 24.463 1.00 0.00 O ATOM 1008 CB ASN A 66 36.405 15.848 27.159 1.00 0.00 C ATOM 1009 CG ASN A 66 36.173 14.353 27.048 1.00 0.00 C ATOM 1010 OD1 ASN A 66 37.004 13.585 26.585 1.00 0.00 O ATOM 1011 ND2 ASN A 66 35.042 13.897 27.515 1.00 0.00 N ATOM 0 H ASN A 66 37.883 18.404 26.611 1.00 0.00 H new ATOM 0 HA ASN A 66 38.505 15.579 26.679 1.00 0.00 H new ATOM 0 HB2 ASN A 66 36.398 16.129 28.212 1.00 0.00 H new ATOM 0 HB3 ASN A 66 35.575 16.371 26.684 1.00 0.00 H new ATOM 0 HD21 ASN A 66 34.848 12.896 27.495 1.00 0.00 H new ATOM 0 HD22 ASN A 66 34.352 14.542 27.900 1.00 0.00 H new HETATM 1018 N NH2 A 67 37.595 15.377 24.254 1.00 0.00 N TER 1021 NH2 A 67