USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 492 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 49 THR OG1 : rot 81:sc= 1.31 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 1.06 K(o=2.4,f=-1.7) USER MOD Set 2.1: A 7 SER OG : rot 167:sc= 1.45 USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 1 LYS N :NH3+ -162:sc= 0.768 (180deg=0.557) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -172:sc=-0.000757 (180deg=-0.0791) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0371 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 1.01 (180deg=0.856) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 1.59 K(o=1.6,f=-3.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= 2.2 (180deg=1.07) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 32 GLN : amide:sc= 1.01 K(o=1,f=-0.03) USER MOD Single : A 33 TYR OH : rot -31:sc= 1.04 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 108:sc= 1.24 USER MOD Single : A 40 TYR OH : rot -84:sc= 0.221 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= -0.192 X(o=-0.19,f=-0.19) USER MOD Single : A 62 ASN : amide:sc= -0.0445 K(o=-0.044,f=-0.76) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00589 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.174 33.813 37.980 1.00 0.00 N ATOM 2 CA LYS A 1 26.286 32.842 37.901 1.00 0.00 C ATOM 3 C LYS A 1 26.442 32.345 36.464 1.00 0.00 C ATOM 4 O LYS A 1 25.445 32.085 35.795 1.00 0.00 O ATOM 5 CB LYS A 1 26.087 31.685 38.903 1.00 0.00 C ATOM 6 CG LYS A 1 27.367 30.862 39.124 1.00 0.00 C ATOM 7 CD LYS A 1 27.171 29.704 40.114 1.00 0.00 C ATOM 8 CE LYS A 1 28.519 29.019 40.386 1.00 0.00 C ATOM 9 NZ LYS A 1 28.371 27.785 41.190 1.00 0.00 N ATOM 0 H1 LYS A 1 25.259 34.368 38.856 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.212 34.452 37.160 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.267 33.303 37.980 1.00 0.00 H new ATOM 0 HA LYS A 1 27.214 33.340 38.184 1.00 0.00 H new ATOM 0 HB2 LYS A 1 25.752 32.091 39.858 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.296 31.028 38.540 1.00 0.00 H new ATOM 0 HG2 LYS A 1 27.705 30.462 38.168 1.00 0.00 H new ATOM 0 HG3 LYS A 1 28.156 31.518 39.492 1.00 0.00 H new ATOM 0 HD2 LYS A 1 26.748 30.078 41.046 1.00 0.00 H new ATOM 0 HD3 LYS A 1 26.461 28.983 39.709 1.00 0.00 H new ATOM 0 HE2 LYS A 1 28.998 28.777 39.438 1.00 0.00 H new ATOM 0 HE3 LYS A 1 29.178 29.713 40.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 29.307 27.359 41.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 27.938 28.018 42.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 27.764 27.110 40.682 1.00 0.00 H new ATOM 25 N GLU A 2 27.673 32.204 35.972 1.00 0.00 N ATOM 26 CA GLU A 2 28.004 31.721 34.617 1.00 0.00 C ATOM 27 C GLU A 2 29.261 30.832 34.643 1.00 0.00 C ATOM 28 O GLU A 2 30.073 30.955 35.566 1.00 0.00 O ATOM 29 CB GLU A 2 28.254 32.891 33.643 1.00 0.00 C ATOM 30 CG GLU A 2 27.229 34.034 33.659 1.00 0.00 C ATOM 31 CD GLU A 2 27.573 35.091 34.714 1.00 0.00 C ATOM 32 OE1 GLU A 2 28.587 35.810 34.543 1.00 0.00 O ATOM 33 OE2 GLU A 2 26.842 35.217 35.724 1.00 0.00 O ATOM 0 H GLU A 2 28.503 32.429 36.521 1.00 0.00 H new ATOM 0 HA GLU A 2 27.147 31.143 34.272 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.236 33.311 33.861 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.298 32.488 32.631 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.190 34.501 32.675 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.237 33.630 33.859 1.00 0.00 H new ATOM 40 N GLY A 3 29.457 29.971 33.640 1.00 0.00 N ATOM 41 CA GLY A 3 30.665 29.141 33.532 1.00 0.00 C ATOM 42 C GLY A 3 30.636 28.100 32.409 1.00 0.00 C ATOM 43 O GLY A 3 29.634 27.936 31.713 1.00 0.00 O ATOM 0 H GLY A 3 28.788 29.829 32.883 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.524 29.794 33.379 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.820 28.626 34.480 1.00 0.00 H new ATOM 47 N TYR A 4 31.741 27.370 32.257 1.00 0.00 N ATOM 48 CA TYR A 4 31.910 26.268 31.306 1.00 0.00 C ATOM 49 C TYR A 4 30.913 25.133 31.597 1.00 0.00 C ATOM 50 O TYR A 4 30.773 24.695 32.746 1.00 0.00 O ATOM 51 CB TYR A 4 33.369 25.793 31.394 1.00 0.00 C ATOM 52 CG TYR A 4 33.812 24.700 30.438 1.00 0.00 C ATOM 53 CD1 TYR A 4 34.180 25.016 29.116 1.00 0.00 C ATOM 54 CD2 TYR A 4 33.968 23.379 30.908 1.00 0.00 C ATOM 55 CE1 TYR A 4 34.744 24.023 28.289 1.00 0.00 C ATOM 56 CE2 TYR A 4 34.515 22.382 30.074 1.00 0.00 C ATOM 57 CZ TYR A 4 34.922 22.706 28.763 1.00 0.00 C ATOM 58 OH TYR A 4 35.531 21.774 27.975 1.00 0.00 O ATOM 0 H TYR A 4 32.578 27.536 32.816 1.00 0.00 H new ATOM 0 HA TYR A 4 31.699 26.602 30.290 1.00 0.00 H new ATOM 0 HB2 TYR A 4 34.014 26.658 31.237 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.547 25.443 32.411 1.00 0.00 H new ATOM 0 HD1 TYR A 4 34.031 26.016 28.737 1.00 0.00 H new ATOM 0 HD2 TYR A 4 33.666 23.129 31.914 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.043 24.273 27.282 1.00 0.00 H new ATOM 0 HE2 TYR A 4 34.622 21.371 30.439 1.00 0.00 H new ATOM 0 HH TYR A 4 35.574 20.920 28.453 1.00 0.00 H new ATOM 68 N LEU A 5 30.227 24.664 30.550 1.00 0.00 N ATOM 69 CA LEU A 5 29.328 23.506 30.599 1.00 0.00 C ATOM 70 C LEU A 5 30.154 22.229 30.814 1.00 0.00 C ATOM 71 O LEU A 5 31.222 22.078 30.223 1.00 0.00 O ATOM 72 CB LEU A 5 28.503 23.472 29.293 1.00 0.00 C ATOM 73 CG LEU A 5 27.624 22.224 29.075 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.506 22.093 30.109 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.982 22.285 27.687 1.00 0.00 C ATOM 0 H LEU A 5 30.282 25.088 29.624 1.00 0.00 H new ATOM 0 HA LEU A 5 28.631 23.578 31.434 1.00 0.00 H new ATOM 0 HB2 LEU A 5 27.860 24.352 29.271 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.190 23.558 28.451 1.00 0.00 H new ATOM 0 HG LEU A 5 28.281 21.360 29.176 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.923 21.196 29.902 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.939 22.022 31.107 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.858 22.968 30.057 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.361 21.402 27.534 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.365 23.180 27.611 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.762 22.316 26.926 1.00 0.00 H new ATOM 87 N VAL A 6 29.655 21.295 31.627 1.00 0.00 N ATOM 88 CA VAL A 6 30.334 20.033 31.956 1.00 0.00 C ATOM 89 C VAL A 6 29.331 18.879 32.069 1.00 0.00 C ATOM 90 O VAL A 6 28.175 19.101 32.423 1.00 0.00 O ATOM 91 CB VAL A 6 31.186 20.217 33.233 1.00 0.00 C ATOM 92 CG1 VAL A 6 30.355 20.438 34.505 1.00 0.00 C ATOM 93 CG2 VAL A 6 32.135 19.038 33.447 1.00 0.00 C ATOM 0 H VAL A 6 28.749 21.394 32.086 1.00 0.00 H new ATOM 0 HA VAL A 6 31.011 19.764 31.146 1.00 0.00 H new ATOM 0 HB VAL A 6 31.761 21.127 33.059 1.00 0.00 H new ATOM 0 HG11 VAL A 6 31.022 20.559 35.359 1.00 0.00 H new ATOM 0 HG12 VAL A 6 29.746 21.335 34.390 1.00 0.00 H new ATOM 0 HG13 VAL A 6 29.707 19.578 34.670 1.00 0.00 H new ATOM 0 HG21 VAL A 6 32.718 19.200 34.353 1.00 0.00 H new ATOM 0 HG22 VAL A 6 31.557 18.119 33.547 1.00 0.00 H new ATOM 0 HG23 VAL A 6 32.807 18.952 32.593 1.00 0.00 H new ATOM 103 N SER A 7 29.757 17.645 31.785 1.00 0.00 N ATOM 104 CA SER A 7 28.964 16.437 32.048 1.00 0.00 C ATOM 105 C SER A 7 28.875 16.138 33.553 1.00 0.00 C ATOM 106 O SER A 7 29.881 16.201 34.271 1.00 0.00 O ATOM 107 CB SER A 7 29.561 15.237 31.296 1.00 0.00 C ATOM 108 OG SER A 7 30.913 15.024 31.667 1.00 0.00 O ATOM 0 H SER A 7 30.666 17.453 31.364 1.00 0.00 H new ATOM 0 HA SER A 7 27.951 16.615 31.686 1.00 0.00 H new ATOM 0 HB2 SER A 7 28.977 14.342 31.510 1.00 0.00 H new ATOM 0 HB3 SER A 7 29.498 15.409 30.222 1.00 0.00 H new ATOM 0 HG SER A 7 31.206 14.145 31.346 1.00 0.00 H new ATOM 114 N LYS A 8 27.690 15.752 34.049 1.00 0.00 N ATOM 115 CA LYS A 8 27.507 15.364 35.465 1.00 0.00 C ATOM 116 C LYS A 8 28.186 14.024 35.788 1.00 0.00 C ATOM 117 O LYS A 8 28.581 13.783 36.928 1.00 0.00 O ATOM 118 CB LYS A 8 26.002 15.363 35.824 1.00 0.00 C ATOM 119 CG LYS A 8 25.799 15.122 37.331 1.00 0.00 C ATOM 120 CD LYS A 8 24.342 15.165 37.814 1.00 0.00 C ATOM 121 CE LYS A 8 24.264 15.091 39.351 1.00 0.00 C ATOM 122 NZ LYS A 8 24.940 13.892 39.910 1.00 0.00 N ATOM 0 H LYS A 8 26.838 15.699 33.491 1.00 0.00 H new ATOM 0 HA LYS A 8 28.002 16.106 36.091 1.00 0.00 H new ATOM 0 HB2 LYS A 8 25.555 16.316 35.540 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.488 14.588 35.255 1.00 0.00 H new ATOM 0 HG2 LYS A 8 26.220 14.150 37.586 1.00 0.00 H new ATOM 0 HG3 LYS A 8 26.369 15.871 37.882 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.868 16.083 37.467 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.787 14.334 37.378 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.716 15.987 39.776 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.218 15.087 39.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.740 13.824 40.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.587 13.039 39.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 25.966 13.972 39.763 1.00 0.00 H new ATOM 136 N SER A 9 28.331 13.161 34.785 1.00 0.00 N ATOM 137 CA SER A 9 28.860 11.800 34.907 1.00 0.00 C ATOM 138 C SER A 9 30.387 11.703 34.833 1.00 0.00 C ATOM 139 O SER A 9 30.987 10.969 35.620 1.00 0.00 O ATOM 140 CB SER A 9 28.236 10.945 33.802 1.00 0.00 C ATOM 141 OG SER A 9 28.394 11.581 32.548 1.00 0.00 O ATOM 0 H SER A 9 28.074 13.398 33.827 1.00 0.00 H new ATOM 0 HA SER A 9 28.594 11.443 35.902 1.00 0.00 H new ATOM 0 HB2 SER A 9 28.707 9.962 33.782 1.00 0.00 H new ATOM 0 HB3 SER A 9 27.177 10.787 34.008 1.00 0.00 H new ATOM 0 HG SER A 9 27.993 11.026 31.847 1.00 0.00 H new ATOM 147 N THR A 10 31.023 12.404 33.887 1.00 0.00 N ATOM 148 CA THR A 10 32.436 12.179 33.508 1.00 0.00 C ATOM 149 C THR A 10 33.360 13.382 33.699 1.00 0.00 C ATOM 150 O THR A 10 34.578 13.216 33.630 1.00 0.00 O ATOM 151 CB THR A 10 32.546 11.670 32.058 1.00 0.00 C ATOM 152 OG1 THR A 10 31.899 12.553 31.163 1.00 0.00 O ATOM 153 CG2 THR A 10 31.908 10.289 31.896 1.00 0.00 C ATOM 0 H THR A 10 30.575 13.150 33.355 1.00 0.00 H new ATOM 0 HA THR A 10 32.784 11.419 34.208 1.00 0.00 H new ATOM 0 HB THR A 10 33.610 11.611 31.830 1.00 0.00 H new ATOM 0 HG1 THR A 10 31.983 12.211 30.248 1.00 0.00 H new ATOM 0 HG21 THR A 10 32.005 9.963 30.861 1.00 0.00 H new ATOM 0 HG22 THR A 10 32.412 9.577 32.550 1.00 0.00 H new ATOM 0 HG23 THR A 10 30.852 10.342 32.162 1.00 0.00 H new ATOM 161 N GLY A 11 32.839 14.587 33.955 1.00 0.00 N ATOM 162 CA GLY A 11 33.670 15.783 34.144 1.00 0.00 C ATOM 163 C GLY A 11 34.453 16.196 32.886 1.00 0.00 C ATOM 164 O GLY A 11 35.584 16.676 33.005 1.00 0.00 O ATOM 0 H GLY A 11 31.837 14.761 34.037 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.033 16.612 34.454 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.374 15.601 34.956 1.00 0.00 H new ATOM 168 N CYS A 12 33.907 15.957 31.687 1.00 0.00 N ATOM 169 CA CYS A 12 34.592 16.187 30.408 1.00 0.00 C ATOM 170 C CYS A 12 33.631 16.601 29.276 1.00 0.00 C ATOM 171 O CYS A 12 32.593 15.966 29.070 1.00 0.00 O ATOM 172 CB CYS A 12 35.347 14.910 30.008 1.00 0.00 C ATOM 173 SG CYS A 12 36.388 15.114 28.538 1.00 0.00 S ATOM 0 H CYS A 12 32.961 15.592 31.576 1.00 0.00 H new ATOM 0 HA CYS A 12 35.283 17.018 30.551 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.970 14.590 30.843 1.00 0.00 H new ATOM 0 HB3 CYS A 12 34.626 14.114 29.825 1.00 0.00 H new ATOM 178 N LYS A 13 34.016 17.625 28.505 1.00 0.00 N ATOM 179 CA LYS A 13 33.360 18.085 27.267 1.00 0.00 C ATOM 180 C LYS A 13 34.396 18.250 26.146 1.00 0.00 C ATOM 181 O LYS A 13 35.603 18.172 26.377 1.00 0.00 O ATOM 182 CB LYS A 13 32.596 19.399 27.538 1.00 0.00 C ATOM 183 CG LYS A 13 31.295 19.202 28.339 1.00 0.00 C ATOM 184 CD LYS A 13 30.116 18.621 27.550 1.00 0.00 C ATOM 185 CE LYS A 13 29.567 19.621 26.522 1.00 0.00 C ATOM 186 NZ LYS A 13 28.437 19.038 25.760 1.00 0.00 N ATOM 0 H LYS A 13 34.835 18.187 28.736 1.00 0.00 H new ATOM 0 HA LYS A 13 32.638 17.338 26.938 1.00 0.00 H new ATOM 0 HB2 LYS A 13 33.248 20.083 28.082 1.00 0.00 H new ATOM 0 HB3 LYS A 13 32.358 19.874 26.586 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.504 18.544 29.183 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.994 20.165 28.752 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.434 17.712 27.039 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.322 18.337 28.240 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.237 20.527 27.031 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.361 19.913 25.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 28.240 19.627 24.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 28.685 18.076 25.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.592 19.002 26.365 1.00 0.00 H new ATOM 200 N TYR A 14 33.926 18.448 24.920 1.00 0.00 N ATOM 201 CA TYR A 14 34.734 18.609 23.710 1.00 0.00 C ATOM 202 C TYR A 14 34.196 19.736 22.814 1.00 0.00 C ATOM 203 O TYR A 14 33.168 20.340 23.115 1.00 0.00 O ATOM 204 CB TYR A 14 34.827 17.255 22.992 1.00 0.00 C ATOM 205 CG TYR A 14 33.519 16.522 22.742 1.00 0.00 C ATOM 206 CD1 TYR A 14 32.655 16.934 21.709 1.00 0.00 C ATOM 207 CD2 TYR A 14 33.189 15.396 23.521 1.00 0.00 C ATOM 208 CE1 TYR A 14 31.482 16.204 21.435 1.00 0.00 C ATOM 209 CE2 TYR A 14 32.018 14.663 23.249 1.00 0.00 C ATOM 210 CZ TYR A 14 31.169 15.057 22.195 1.00 0.00 C ATOM 211 OH TYR A 14 30.077 14.305 21.893 1.00 0.00 O ATOM 0 H TYR A 14 32.925 18.504 24.730 1.00 0.00 H new ATOM 0 HA TYR A 14 35.744 18.919 23.979 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.317 17.413 22.031 1.00 0.00 H new ATOM 0 HB3 TYR A 14 35.475 16.603 23.578 1.00 0.00 H new ATOM 0 HD1 TYR A 14 32.892 17.811 21.126 1.00 0.00 H new ATOM 0 HD2 TYR A 14 33.837 15.094 24.330 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.821 16.523 20.642 1.00 0.00 H new ATOM 0 HE2 TYR A 14 31.770 13.799 23.848 1.00 0.00 H new ATOM 0 HH TYR A 14 30.015 13.553 22.518 1.00 0.00 H new ATOM 221 N GLU A 15 34.910 20.064 21.736 1.00 0.00 N ATOM 222 CA GLU A 15 34.645 21.246 20.912 1.00 0.00 C ATOM 223 C GLU A 15 33.240 21.272 20.256 1.00 0.00 C ATOM 224 O GLU A 15 32.672 20.235 19.888 1.00 0.00 O ATOM 225 CB GLU A 15 35.770 21.439 19.871 1.00 0.00 C ATOM 226 CG GLU A 15 37.106 21.961 20.449 1.00 0.00 C ATOM 227 CD GLU A 15 38.092 20.896 20.961 1.00 0.00 C ATOM 228 OE1 GLU A 15 37.673 19.808 21.430 1.00 0.00 O ATOM 229 OE2 GLU A 15 39.324 21.149 20.934 1.00 0.00 O ATOM 0 H GLU A 15 35.699 19.509 21.406 1.00 0.00 H new ATOM 0 HA GLU A 15 34.641 22.096 21.595 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.953 20.486 19.374 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.424 22.136 19.108 1.00 0.00 H new ATOM 0 HG2 GLU A 15 37.606 22.547 19.678 1.00 0.00 H new ATOM 0 HG3 GLU A 15 36.881 22.641 21.270 1.00 0.00 H new ATOM 236 N CYS A 16 32.682 22.480 20.123 1.00 0.00 N ATOM 237 CA CYS A 16 31.300 22.758 19.728 1.00 0.00 C ATOM 238 C CYS A 16 31.093 22.774 18.201 1.00 0.00 C ATOM 239 O CYS A 16 31.973 23.178 17.431 1.00 0.00 O ATOM 240 CB CYS A 16 30.840 24.067 20.396 1.00 0.00 C ATOM 241 SG CYS A 16 31.532 25.595 19.698 1.00 0.00 S ATOM 0 H CYS A 16 33.212 23.334 20.298 1.00 0.00 H new ATOM 0 HA CYS A 16 30.675 21.937 20.080 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.753 24.122 20.335 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.098 24.023 21.454 1.00 0.00 H new ATOM 246 N LEU A 17 29.896 22.387 17.748 1.00 0.00 N ATOM 247 CA LEU A 17 29.528 22.382 16.328 1.00 0.00 C ATOM 248 C LEU A 17 29.297 23.807 15.792 1.00 0.00 C ATOM 249 O LEU A 17 29.655 24.082 14.643 1.00 0.00 O ATOM 250 CB LEU A 17 28.317 21.449 16.127 1.00 0.00 C ATOM 251 CG LEU A 17 27.872 21.248 14.664 1.00 0.00 C ATOM 252 CD1 LEU A 17 28.980 20.680 13.776 1.00 0.00 C ATOM 253 CD2 LEU A 17 26.696 20.274 14.618 1.00 0.00 C ATOM 0 H LEU A 17 29.148 22.065 18.363 1.00 0.00 H new ATOM 0 HA LEU A 17 30.355 21.991 15.736 1.00 0.00 H new ATOM 0 HB2 LEU A 17 28.556 20.475 16.553 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.475 21.847 16.694 1.00 0.00 H new ATOM 0 HG LEU A 17 27.599 22.233 14.285 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.606 20.561 12.759 1.00 0.00 H new ATOM 0 HD12 LEU A 17 29.830 21.363 13.773 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.295 19.711 14.162 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.381 20.132 13.584 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.000 19.316 15.040 1.00 0.00 H new ATOM 0 HD23 LEU A 17 25.866 20.678 15.197 1.00 0.00 H new ATOM 265 N LYS A 18 28.792 24.737 16.617 1.00 0.00 N ATOM 266 CA LYS A 18 28.633 26.162 16.269 1.00 0.00 C ATOM 267 C LYS A 18 29.188 27.098 17.348 1.00 0.00 C ATOM 268 O LYS A 18 28.806 27.005 18.515 1.00 0.00 O ATOM 269 CB LYS A 18 27.154 26.459 15.966 1.00 0.00 C ATOM 270 CG LYS A 18 27.015 27.688 15.057 1.00 0.00 C ATOM 271 CD LYS A 18 25.540 28.046 14.834 1.00 0.00 C ATOM 272 CE LYS A 18 25.352 28.946 13.609 1.00 0.00 C ATOM 273 NZ LYS A 18 25.993 30.269 13.777 1.00 0.00 N ATOM 0 H LYS A 18 28.476 24.518 17.562 1.00 0.00 H new ATOM 0 HA LYS A 18 29.224 26.357 15.374 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.696 25.594 15.486 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.615 26.629 16.898 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.535 28.536 15.504 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.494 27.491 14.098 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.960 27.132 14.706 1.00 0.00 H new ATOM 0 HD3 LYS A 18 25.151 28.550 15.719 1.00 0.00 H new ATOM 0 HE2 LYS A 18 25.769 28.452 12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 18 24.287 29.083 13.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.838 30.841 12.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.578 30.754 14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 27.014 30.143 13.929 1.00 0.00 H new ATOM 287 N LEU A 19 30.075 28.010 16.946 1.00 0.00 N ATOM 288 CA LEU A 19 30.682 29.024 17.815 1.00 0.00 C ATOM 289 C LEU A 19 29.689 30.165 18.125 1.00 0.00 C ATOM 290 O LEU A 19 28.755 30.405 17.357 1.00 0.00 O ATOM 291 CB LEU A 19 31.984 29.512 17.144 1.00 0.00 C ATOM 292 CG LEU A 19 32.907 30.379 18.024 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.421 29.623 19.250 1.00 0.00 C ATOM 294 CD2 LEU A 19 34.117 30.832 17.210 1.00 0.00 C ATOM 0 H LEU A 19 30.401 28.067 15.981 1.00 0.00 H new ATOM 0 HA LEU A 19 30.933 28.597 18.786 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.546 28.641 16.808 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.720 30.083 16.254 1.00 0.00 H new ATOM 0 HG LEU A 19 32.314 31.229 18.362 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.066 30.277 19.837 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.577 29.303 19.861 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.987 28.749 18.928 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.767 31.444 17.835 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.668 29.959 16.860 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.781 31.417 16.353 1.00 0.00 H new ATOM 306 N GLY A 20 29.878 30.885 19.237 1.00 0.00 N ATOM 307 CA GLY A 20 28.997 31.995 19.620 1.00 0.00 C ATOM 308 C GLY A 20 27.607 31.511 20.046 1.00 0.00 C ATOM 309 O GLY A 20 27.501 30.602 20.868 1.00 0.00 O ATOM 0 H GLY A 20 30.641 30.716 19.893 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.452 32.552 20.439 1.00 0.00 H new ATOM 0 HA3 GLY A 20 28.899 32.684 18.781 1.00 0.00 H new ATOM 313 N ASP A 21 26.538 32.110 19.515 1.00 0.00 N ATOM 314 CA ASP A 21 25.154 31.722 19.838 1.00 0.00 C ATOM 315 C ASP A 21 24.834 30.281 19.375 1.00 0.00 C ATOM 316 O ASP A 21 24.856 29.978 18.178 1.00 0.00 O ATOM 317 CB ASP A 21 24.180 32.753 19.245 1.00 0.00 C ATOM 318 CG ASP A 21 22.719 32.519 19.643 1.00 0.00 C ATOM 319 OD1 ASP A 21 22.449 31.977 20.743 1.00 0.00 O ATOM 320 OD2 ASP A 21 21.820 32.915 18.861 1.00 0.00 O ATOM 0 H ASP A 21 26.603 32.879 18.848 1.00 0.00 H new ATOM 0 HA ASP A 21 25.035 31.719 20.922 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.480 33.750 19.567 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.259 32.732 18.158 1.00 0.00 H new ATOM 325 N ASN A 22 24.536 29.399 20.334 1.00 0.00 N ATOM 326 CA ASN A 22 24.454 27.940 20.181 1.00 0.00 C ATOM 327 C ASN A 22 23.102 27.409 20.704 1.00 0.00 C ATOM 328 O ASN A 22 22.558 27.974 21.654 1.00 0.00 O ATOM 329 CB ASN A 22 25.658 27.344 20.935 1.00 0.00 C ATOM 330 CG ASN A 22 25.853 25.863 20.675 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.036 25.030 21.043 1.00 0.00 O ATOM 332 ND2 ASN A 22 26.936 25.496 20.040 1.00 0.00 N ATOM 0 H ASN A 22 24.335 29.697 21.288 1.00 0.00 H new ATOM 0 HA ASN A 22 24.497 27.645 19.133 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.562 27.879 20.644 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.524 27.504 22.005 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.105 24.509 19.848 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.612 26.197 19.737 1.00 0.00 H new ATOM 339 N ASP A 23 22.540 26.353 20.104 1.00 0.00 N ATOM 340 CA ASP A 23 21.196 25.837 20.423 1.00 0.00 C ATOM 341 C ASP A 23 21.195 24.444 21.091 1.00 0.00 C ATOM 342 O ASP A 23 20.343 24.181 21.946 1.00 0.00 O ATOM 343 CB ASP A 23 20.360 25.851 19.134 1.00 0.00 C ATOM 344 CG ASP A 23 18.859 25.754 19.399 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.285 26.696 19.990 1.00 0.00 O ATOM 346 OD2 ASP A 23 18.247 24.728 19.015 1.00 0.00 O ATOM 0 H ASP A 23 23.011 25.822 19.371 1.00 0.00 H new ATOM 0 HA ASP A 23 20.754 26.491 21.174 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.568 26.767 18.582 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.666 25.020 18.499 1.00 0.00 H new ATOM 351 N TYR A 24 22.162 23.566 20.780 1.00 0.00 N ATOM 352 CA TYR A 24 22.294 22.252 21.440 1.00 0.00 C ATOM 353 C TYR A 24 22.898 22.371 22.839 1.00 0.00 C ATOM 354 O TYR A 24 22.438 21.705 23.769 1.00 0.00 O ATOM 355 CB TYR A 24 23.173 21.289 20.631 1.00 0.00 C ATOM 356 CG TYR A 24 22.710 21.011 19.222 1.00 0.00 C ATOM 357 CD1 TYR A 24 21.464 20.404 18.974 1.00 0.00 C ATOM 358 CD2 TYR A 24 23.548 21.358 18.150 1.00 0.00 C ATOM 359 CE1 TYR A 24 21.038 20.193 17.648 1.00 0.00 C ATOM 360 CE2 TYR A 24 23.118 21.168 16.829 1.00 0.00 C ATOM 361 CZ TYR A 24 21.851 20.610 16.574 1.00 0.00 C ATOM 362 OH TYR A 24 21.417 20.487 15.294 1.00 0.00 O ATOM 0 H TYR A 24 22.871 23.743 20.069 1.00 0.00 H new ATOM 0 HA TYR A 24 21.280 21.859 21.508 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.183 21.696 20.589 1.00 0.00 H new ATOM 0 HB3 TYR A 24 23.233 20.342 21.168 1.00 0.00 H new ATOM 0 HD1 TYR A 24 20.836 20.101 19.799 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.526 21.772 18.344 1.00 0.00 H new ATOM 0 HE1 TYR A 24 20.090 19.713 17.454 1.00 0.00 H new ATOM 0 HE2 TYR A 24 23.759 21.450 16.007 1.00 0.00 H new ATOM 0 HH TYR A 24 22.104 20.825 14.682 1.00 0.00 H new ATOM 372 N CYS A 25 23.908 23.228 23.005 1.00 0.00 N ATOM 373 CA CYS A 25 24.494 23.504 24.311 1.00 0.00 C ATOM 374 C CYS A 25 23.541 24.322 25.188 1.00 0.00 C ATOM 375 O CYS A 25 23.474 24.072 26.385 1.00 0.00 O ATOM 376 CB CYS A 25 25.829 24.217 24.136 1.00 0.00 C ATOM 377 SG CYS A 25 27.106 23.238 23.317 1.00 0.00 S ATOM 0 H CYS A 25 24.338 23.746 22.239 1.00 0.00 H new ATOM 0 HA CYS A 25 24.666 22.557 24.822 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.666 25.129 23.562 1.00 0.00 H new ATOM 0 HB3 CYS A 25 26.195 24.519 25.117 1.00 0.00 H new ATOM 382 N LEU A 26 22.723 25.207 24.602 1.00 0.00 N ATOM 383 CA LEU A 26 21.631 25.879 25.313 1.00 0.00 C ATOM 384 C LEU A 26 20.618 24.863 25.872 1.00 0.00 C ATOM 385 O LEU A 26 20.229 24.971 27.033 1.00 0.00 O ATOM 386 CB LEU A 26 20.979 26.894 24.358 1.00 0.00 C ATOM 387 CG LEU A 26 19.779 27.662 24.938 1.00 0.00 C ATOM 388 CD1 LEU A 26 20.175 28.526 26.136 1.00 0.00 C ATOM 389 CD2 LEU A 26 19.185 28.572 23.863 1.00 0.00 C ATOM 0 H LEU A 26 22.801 25.476 23.621 1.00 0.00 H new ATOM 0 HA LEU A 26 22.023 26.413 26.178 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.736 27.615 24.048 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.654 26.367 23.461 1.00 0.00 H new ATOM 0 HG LEU A 26 19.051 26.922 25.270 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.297 29.050 26.513 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.585 27.892 26.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.926 29.253 25.828 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.335 29.115 24.275 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.942 29.282 23.528 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.854 27.969 23.018 1.00 0.00 H new ATOM 401 N ARG A 27 20.252 23.838 25.089 1.00 0.00 N ATOM 402 CA ARG A 27 19.401 22.721 25.540 1.00 0.00 C ATOM 403 C ARG A 27 20.049 21.924 26.681 1.00 0.00 C ATOM 404 O ARG A 27 19.376 21.635 27.664 1.00 0.00 O ATOM 405 CB ARG A 27 19.045 21.864 24.312 1.00 0.00 C ATOM 406 CG ARG A 27 18.049 20.722 24.565 1.00 0.00 C ATOM 407 CD ARG A 27 17.692 20.094 23.210 1.00 0.00 C ATOM 408 NE ARG A 27 16.760 18.957 23.327 1.00 0.00 N ATOM 409 CZ ARG A 27 15.890 18.563 22.412 1.00 0.00 C ATOM 410 NH1 ARG A 27 15.617 19.225 21.328 1.00 0.00 N ATOM 411 NH2 ARG A 27 15.252 17.444 22.563 1.00 0.00 N ATOM 0 H ARG A 27 20.540 23.758 24.114 1.00 0.00 H new ATOM 0 HA ARG A 27 18.477 23.104 25.974 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.633 22.517 23.543 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.964 21.438 23.910 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.486 19.975 25.228 1.00 0.00 H new ATOM 0 HG3 ARG A 27 17.153 21.100 25.058 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.248 20.856 22.569 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.606 19.758 22.720 1.00 0.00 H new ATOM 0 HE ARG A 27 16.789 18.424 24.196 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.087 20.111 21.139 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.933 18.859 20.666 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.421 16.868 23.387 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.581 17.140 21.857 1.00 0.00 H new ATOM 425 N GLU A 28 21.356 21.656 26.617 1.00 0.00 N ATOM 426 CA GLU A 28 22.103 21.040 27.731 1.00 0.00 C ATOM 427 C GLU A 28 22.118 21.938 28.984 1.00 0.00 C ATOM 428 O GLU A 28 21.775 21.468 30.069 1.00 0.00 O ATOM 429 CB GLU A 28 23.533 20.655 27.297 1.00 0.00 C ATOM 430 CG GLU A 28 23.542 19.451 26.343 1.00 0.00 C ATOM 431 CD GLU A 28 24.945 19.040 25.879 1.00 0.00 C ATOM 432 OE1 GLU A 28 25.808 18.704 26.726 1.00 0.00 O ATOM 433 OE2 GLU A 28 25.191 18.952 24.651 1.00 0.00 O ATOM 0 H GLU A 28 21.929 21.857 25.798 1.00 0.00 H new ATOM 0 HA GLU A 28 21.578 20.124 28.003 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.005 21.507 26.809 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.129 20.422 28.179 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.070 18.603 26.839 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.935 19.687 25.469 1.00 0.00 H new ATOM 440 N CYS A 29 22.404 23.240 28.849 1.00 0.00 N ATOM 441 CA CYS A 29 22.345 24.209 29.949 1.00 0.00 C ATOM 442 C CYS A 29 20.948 24.242 30.599 1.00 0.00 C ATOM 443 O CYS A 29 20.837 24.200 31.826 1.00 0.00 O ATOM 444 CB CYS A 29 22.721 25.617 29.448 1.00 0.00 C ATOM 445 SG CYS A 29 24.411 25.866 28.831 1.00 0.00 S ATOM 0 H CYS A 29 22.686 23.654 27.961 1.00 0.00 H new ATOM 0 HA CYS A 29 23.064 23.892 30.704 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.029 25.886 28.650 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.554 26.320 30.264 1.00 0.00 H new ATOM 450 N LYS A 30 19.870 24.265 29.802 1.00 0.00 N ATOM 451 CA LYS A 30 18.490 24.253 30.315 1.00 0.00 C ATOM 452 C LYS A 30 18.143 22.949 31.034 1.00 0.00 C ATOM 453 O LYS A 30 17.533 22.996 32.101 1.00 0.00 O ATOM 454 CB LYS A 30 17.481 24.546 29.193 1.00 0.00 C ATOM 455 CG LYS A 30 17.511 26.015 28.743 1.00 0.00 C ATOM 456 CD LYS A 30 16.436 26.268 27.674 1.00 0.00 C ATOM 457 CE LYS A 30 16.561 27.642 27.006 1.00 0.00 C ATOM 458 NZ LYS A 30 16.485 28.758 27.976 1.00 0.00 N ATOM 0 H LYS A 30 19.929 24.292 28.784 1.00 0.00 H new ATOM 0 HA LYS A 30 18.424 25.050 31.056 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.695 23.903 28.339 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.477 24.295 29.537 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.343 26.668 29.599 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.495 26.260 28.344 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.502 25.493 26.911 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.450 26.182 28.131 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.509 27.696 26.470 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.769 27.755 26.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.090 29.598 27.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.874 28.485 28.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.438 28.976 28.330 1.00 0.00 H new ATOM 472 N GLN A 31 18.543 21.793 30.504 1.00 0.00 N ATOM 473 CA GLN A 31 18.247 20.493 31.122 1.00 0.00 C ATOM 474 C GLN A 31 19.073 20.230 32.393 1.00 0.00 C ATOM 475 O GLN A 31 18.573 19.581 33.321 1.00 0.00 O ATOM 476 CB GLN A 31 18.430 19.371 30.089 1.00 0.00 C ATOM 477 CG GLN A 31 17.325 19.439 29.025 1.00 0.00 C ATOM 478 CD GLN A 31 17.403 18.357 27.954 1.00 0.00 C ATOM 479 OE1 GLN A 31 18.177 17.404 28.008 1.00 0.00 O ATOM 480 NE2 GLN A 31 16.586 18.481 26.935 1.00 0.00 N ATOM 0 H GLN A 31 19.079 21.727 29.639 1.00 0.00 H new ATOM 0 HA GLN A 31 17.206 20.513 31.446 1.00 0.00 H new ATOM 0 HB2 GLN A 31 19.407 19.461 29.614 1.00 0.00 H new ATOM 0 HB3 GLN A 31 18.405 18.402 30.587 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.357 19.370 29.521 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.366 20.414 28.540 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.943 19.272 26.890 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.593 17.787 26.188 1.00 0.00 H new ATOM 489 N GLN A 32 20.292 20.773 32.477 1.00 0.00 N ATOM 490 CA GLN A 32 21.180 20.629 33.636 1.00 0.00 C ATOM 491 C GLN A 32 20.939 21.666 34.744 1.00 0.00 C ATOM 492 O GLN A 32 21.095 21.312 35.913 1.00 0.00 O ATOM 493 CB GLN A 32 22.646 20.645 33.167 1.00 0.00 C ATOM 494 CG GLN A 32 22.982 19.350 32.406 1.00 0.00 C ATOM 495 CD GLN A 32 24.407 19.298 31.861 1.00 0.00 C ATOM 496 OE1 GLN A 32 24.639 18.997 30.695 1.00 0.00 O ATOM 497 NE2 GLN A 32 25.403 19.529 32.687 1.00 0.00 N ATOM 0 H GLN A 32 20.697 21.335 31.728 1.00 0.00 H new ATOM 0 HA GLN A 32 20.947 19.668 34.094 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.819 21.507 32.523 1.00 0.00 H new ATOM 0 HB3 GLN A 32 23.308 20.751 34.026 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.828 18.500 33.071 1.00 0.00 H new ATOM 0 HG3 GLN A 32 22.283 19.237 31.577 1.00 0.00 H new ATOM 0 HE21 GLN A 32 25.213 19.780 33.657 1.00 0.00 H new ATOM 0 HE22 GLN A 32 26.366 19.458 32.358 1.00 0.00 H new ATOM 506 N TYR A 33 20.534 22.900 34.412 1.00 0.00 N ATOM 507 CA TYR A 33 20.482 24.016 35.374 1.00 0.00 C ATOM 508 C TYR A 33 19.138 24.774 35.447 1.00 0.00 C ATOM 509 O TYR A 33 19.005 25.666 36.291 1.00 0.00 O ATOM 510 CB TYR A 33 21.653 24.973 35.092 1.00 0.00 C ATOM 511 CG TYR A 33 23.008 24.299 34.926 1.00 0.00 C ATOM 512 CD1 TYR A 33 23.615 23.643 36.014 1.00 0.00 C ATOM 513 CD2 TYR A 33 23.643 24.300 33.669 1.00 0.00 C ATOM 514 CE1 TYR A 33 24.857 22.999 35.850 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.873 23.637 33.495 1.00 0.00 C ATOM 516 CZ TYR A 33 25.489 22.995 34.587 1.00 0.00 C ATOM 517 OH TYR A 33 26.700 22.403 34.424 1.00 0.00 O ATOM 0 H TYR A 33 20.233 23.155 33.471 1.00 0.00 H new ATOM 0 HA TYR A 33 20.574 23.569 36.364 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.431 25.538 34.186 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.719 25.693 35.908 1.00 0.00 H new ATOM 0 HD1 TYR A 33 23.127 23.634 36.977 1.00 0.00 H new ATOM 0 HD2 TYR A 33 23.185 24.811 32.835 1.00 0.00 H new ATOM 0 HE1 TYR A 33 25.326 22.508 36.690 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.344 23.621 32.523 1.00 0.00 H new ATOM 0 HH TYR A 33 27.212 22.471 35.257 1.00 0.00 H new ATOM 527 N GLY A 34 18.137 24.415 34.629 1.00 0.00 N ATOM 528 CA GLY A 34 16.763 24.950 34.650 1.00 0.00 C ATOM 529 C GLY A 34 16.383 25.791 33.418 1.00 0.00 C ATOM 530 O GLY A 34 17.255 26.324 32.728 1.00 0.00 O ATOM 0 H GLY A 34 18.267 23.712 33.901 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.064 24.118 34.735 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.639 25.562 35.543 1.00 0.00 H new ATOM 534 N LYS A 35 15.079 25.931 33.126 1.00 0.00 N ATOM 535 CA LYS A 35 14.564 26.562 31.889 1.00 0.00 C ATOM 536 C LYS A 35 15.050 27.998 31.630 1.00 0.00 C ATOM 537 O LYS A 35 15.253 28.360 30.473 1.00 0.00 O ATOM 538 CB LYS A 35 13.023 26.471 31.818 1.00 0.00 C ATOM 539 CG LYS A 35 12.251 27.216 32.927 1.00 0.00 C ATOM 540 CD LYS A 35 10.752 27.313 32.595 1.00 0.00 C ATOM 541 CE LYS A 35 9.969 27.936 33.761 1.00 0.00 C ATOM 542 NZ LYS A 35 8.631 28.423 33.341 1.00 0.00 N ATOM 0 H LYS A 35 14.339 25.606 33.748 1.00 0.00 H new ATOM 0 HA LYS A 35 14.999 25.977 31.079 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.700 26.861 30.853 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.739 25.419 31.848 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.383 26.697 33.876 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.664 28.217 33.051 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.613 27.914 31.697 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.359 26.320 32.378 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.852 27.197 34.554 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.541 28.765 34.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.139 28.835 34.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.741 29.147 32.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.074 27.628 32.966 1.00 0.00 H new ATOM 556 N SER A 36 15.310 28.792 32.669 1.00 0.00 N ATOM 557 CA SER A 36 15.767 30.193 32.547 1.00 0.00 C ATOM 558 C SER A 36 17.255 30.356 32.181 1.00 0.00 C ATOM 559 O SER A 36 17.745 31.483 32.081 1.00 0.00 O ATOM 560 CB SER A 36 15.453 30.959 33.833 1.00 0.00 C ATOM 561 OG SER A 36 14.070 30.898 34.133 1.00 0.00 O ATOM 0 H SER A 36 15.210 28.484 33.636 1.00 0.00 H new ATOM 0 HA SER A 36 15.214 30.611 31.706 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.027 30.541 34.660 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.760 31.999 33.726 1.00 0.00 H new ATOM 0 HG SER A 36 13.893 31.393 34.960 1.00 0.00 H new ATOM 567 N SER A 37 17.979 29.252 31.977 1.00 0.00 N ATOM 568 CA SER A 37 19.408 29.239 31.636 1.00 0.00 C ATOM 569 C SER A 37 19.674 29.710 30.200 1.00 0.00 C ATOM 570 O SER A 37 18.961 29.306 29.276 1.00 0.00 O ATOM 571 CB SER A 37 19.982 27.828 31.808 1.00 0.00 C ATOM 572 OG SER A 37 19.668 27.313 33.089 1.00 0.00 O ATOM 0 H SER A 37 17.578 28.316 32.046 1.00 0.00 H new ATOM 0 HA SER A 37 19.897 29.935 32.317 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.580 27.170 31.037 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.064 27.851 31.675 1.00 0.00 H new ATOM 0 HG SER A 37 18.993 26.608 33.002 1.00 0.00 H new ATOM 578 N GLY A 38 20.725 30.513 30.018 1.00 0.00 N ATOM 579 CA GLY A 38 21.273 30.936 28.721 1.00 0.00 C ATOM 580 C GLY A 38 22.595 30.236 28.371 1.00 0.00 C ATOM 581 O GLY A 38 23.073 29.388 29.130 1.00 0.00 O ATOM 0 H GLY A 38 21.243 30.905 30.804 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.542 30.731 27.939 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.432 32.014 28.734 1.00 0.00 H new ATOM 585 N GLY A 39 23.217 30.595 27.242 1.00 0.00 N ATOM 586 CA GLY A 39 24.517 30.032 26.852 1.00 0.00 C ATOM 587 C GLY A 39 25.080 30.470 25.491 1.00 0.00 C ATOM 588 O GLY A 39 24.376 31.027 24.645 1.00 0.00 O ATOM 0 H GLY A 39 22.841 31.274 26.580 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.245 30.292 27.621 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.430 28.945 26.850 1.00 0.00 H new ATOM 592 N TYR A 40 26.375 30.201 25.298 1.00 0.00 N ATOM 593 CA TYR A 40 27.139 30.394 24.054 1.00 0.00 C ATOM 594 C TYR A 40 28.316 29.393 23.959 1.00 0.00 C ATOM 595 O TYR A 40 28.495 28.557 24.847 1.00 0.00 O ATOM 596 CB TYR A 40 27.605 31.865 23.955 1.00 0.00 C ATOM 597 CG TYR A 40 28.374 32.434 25.139 1.00 0.00 C ATOM 598 CD1 TYR A 40 29.708 32.049 25.383 1.00 0.00 C ATOM 599 CD2 TYR A 40 27.770 33.405 25.965 1.00 0.00 C ATOM 600 CE1 TYR A 40 30.423 32.607 26.461 1.00 0.00 C ATOM 601 CE2 TYR A 40 28.490 33.979 27.032 1.00 0.00 C ATOM 602 CZ TYR A 40 29.815 33.573 27.294 1.00 0.00 C ATOM 603 OH TYR A 40 30.494 34.113 28.342 1.00 0.00 O ATOM 0 H TYR A 40 26.954 29.821 26.046 1.00 0.00 H new ATOM 0 HA TYR A 40 26.494 30.188 23.200 1.00 0.00 H new ATOM 0 HB2 TYR A 40 28.231 31.962 23.068 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.725 32.488 23.793 1.00 0.00 H new ATOM 0 HD1 TYR A 40 30.184 31.323 24.741 1.00 0.00 H new ATOM 0 HD2 TYR A 40 26.751 33.710 25.779 1.00 0.00 H new ATOM 0 HE1 TYR A 40 31.439 32.295 26.651 1.00 0.00 H new ATOM 0 HE2 TYR A 40 28.026 34.732 27.651 1.00 0.00 H new ATOM 0 HH TYR A 40 30.423 33.520 29.119 1.00 0.00 H new ATOM 613 N CYS A 41 29.125 29.452 22.896 1.00 0.00 N ATOM 614 CA CYS A 41 30.395 28.727 22.764 1.00 0.00 C ATOM 615 C CYS A 41 31.596 29.697 22.665 1.00 0.00 C ATOM 616 O CYS A 41 31.541 30.686 21.926 1.00 0.00 O ATOM 617 CB CYS A 41 30.301 27.746 21.585 1.00 0.00 C ATOM 618 SG CYS A 41 31.836 26.826 21.294 1.00 0.00 S ATOM 0 H CYS A 41 28.908 30.022 22.079 1.00 0.00 H new ATOM 0 HA CYS A 41 30.577 28.141 23.665 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.492 27.040 21.773 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.039 28.298 20.682 1.00 0.00 H new ATOM 623 N TYR A 42 32.667 29.416 23.418 1.00 0.00 N ATOM 624 CA TYR A 42 33.881 30.236 23.556 1.00 0.00 C ATOM 625 C TYR A 42 35.114 29.345 23.793 1.00 0.00 C ATOM 626 O TYR A 42 34.999 28.304 24.438 1.00 0.00 O ATOM 627 CB TYR A 42 33.684 31.212 24.728 1.00 0.00 C ATOM 628 CG TYR A 42 34.838 32.173 24.959 1.00 0.00 C ATOM 629 CD1 TYR A 42 35.928 31.801 25.775 1.00 0.00 C ATOM 630 CD2 TYR A 42 34.817 33.446 24.359 1.00 0.00 C ATOM 631 CE1 TYR A 42 36.997 32.696 25.977 1.00 0.00 C ATOM 632 CE2 TYR A 42 35.875 34.349 24.576 1.00 0.00 C ATOM 633 CZ TYR A 42 36.966 33.978 25.388 1.00 0.00 C ATOM 634 OH TYR A 42 37.996 34.842 25.582 1.00 0.00 O ATOM 0 H TYR A 42 32.714 28.565 23.978 1.00 0.00 H new ATOM 0 HA TYR A 42 34.051 30.796 22.637 1.00 0.00 H new ATOM 0 HB2 TYR A 42 32.777 31.791 24.552 1.00 0.00 H new ATOM 0 HB3 TYR A 42 33.522 30.636 25.639 1.00 0.00 H new ATOM 0 HD1 TYR A 42 35.942 30.829 26.245 1.00 0.00 H new ATOM 0 HD2 TYR A 42 33.987 33.731 23.730 1.00 0.00 H new ATOM 0 HE1 TYR A 42 37.841 32.401 26.583 1.00 0.00 H new ATOM 0 HE2 TYR A 42 35.851 35.328 24.120 1.00 0.00 H new ATOM 0 HH TYR A 42 37.815 35.679 25.106 1.00 0.00 H new ATOM 644 N ALA A 43 36.292 29.722 23.286 1.00 0.00 N ATOM 645 CA ALA A 43 37.482 28.858 23.259 1.00 0.00 C ATOM 646 C ALA A 43 37.164 27.465 22.672 1.00 0.00 C ATOM 647 O ALA A 43 37.491 26.418 23.238 1.00 0.00 O ATOM 648 CB ALA A 43 38.159 28.849 24.635 1.00 0.00 C ATOM 0 H ALA A 43 36.450 30.644 22.878 1.00 0.00 H new ATOM 0 HA ALA A 43 38.220 29.270 22.570 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.039 28.206 24.603 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.460 29.863 24.899 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.460 28.471 25.382 1.00 0.00 H new ATOM 654 N PHE A 44 36.444 27.483 21.546 1.00 0.00 N ATOM 655 CA PHE A 44 35.904 26.331 20.817 1.00 0.00 C ATOM 656 C PHE A 44 34.950 25.398 21.601 1.00 0.00 C ATOM 657 O PHE A 44 34.545 24.385 21.040 1.00 0.00 O ATOM 658 CB PHE A 44 37.046 25.565 20.117 1.00 0.00 C ATOM 659 CG PHE A 44 37.969 26.418 19.262 1.00 0.00 C ATOM 660 CD1 PHE A 44 37.644 26.682 17.917 1.00 0.00 C ATOM 661 CD2 PHE A 44 39.153 26.952 19.808 1.00 0.00 C ATOM 662 CE1 PHE A 44 38.491 27.481 17.127 1.00 0.00 C ATOM 663 CE2 PHE A 44 39.997 27.758 19.021 1.00 0.00 C ATOM 664 CZ PHE A 44 39.664 28.025 17.681 1.00 0.00 C ATOM 0 H PHE A 44 36.207 28.363 21.088 1.00 0.00 H new ATOM 0 HA PHE A 44 35.235 26.757 20.069 1.00 0.00 H new ATOM 0 HB2 PHE A 44 37.643 25.061 20.877 1.00 0.00 H new ATOM 0 HB3 PHE A 44 36.609 24.789 19.489 1.00 0.00 H new ATOM 0 HD1 PHE A 44 36.741 26.270 17.491 1.00 0.00 H new ATOM 0 HD2 PHE A 44 39.414 26.742 20.835 1.00 0.00 H new ATOM 0 HE1 PHE A 44 38.240 27.677 16.095 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.900 28.171 19.446 1.00 0.00 H new ATOM 0 HZ PHE A 44 40.308 28.647 17.078 1.00 0.00 H new ATOM 674 N ALA A 45 34.546 25.700 22.843 1.00 0.00 N ATOM 675 CA ALA A 45 33.694 24.823 23.664 1.00 0.00 C ATOM 676 C ALA A 45 32.585 25.565 24.451 1.00 0.00 C ATOM 677 O ALA A 45 32.608 26.785 24.619 1.00 0.00 O ATOM 678 CB ALA A 45 34.617 24.004 24.571 1.00 0.00 C ATOM 0 H ALA A 45 34.803 26.568 23.312 1.00 0.00 H new ATOM 0 HA ALA A 45 33.128 24.166 23.003 1.00 0.00 H new ATOM 0 HB1 ALA A 45 34.018 23.341 25.196 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.296 23.411 23.959 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.194 24.677 25.205 1.00 0.00 H new ATOM 684 N CYS A 46 31.564 24.846 24.915 1.00 0.00 N ATOM 685 CA CYS A 46 30.317 25.448 25.391 1.00 0.00 C ATOM 686 C CYS A 46 30.312 25.971 26.844 1.00 0.00 C ATOM 687 O CYS A 46 30.956 25.427 27.745 1.00 0.00 O ATOM 688 CB CYS A 46 29.180 24.475 25.104 1.00 0.00 C ATOM 689 SG CYS A 46 28.692 24.494 23.359 1.00 0.00 S ATOM 0 H CYS A 46 31.577 23.828 24.972 1.00 0.00 H new ATOM 0 HA CYS A 46 30.184 26.375 24.834 1.00 0.00 H new ATOM 0 HB2 CYS A 46 29.487 23.467 25.383 1.00 0.00 H new ATOM 0 HB3 CYS A 46 28.320 24.730 25.723 1.00 0.00 H new ATOM 694 N TRP A 47 29.528 27.032 27.056 1.00 0.00 N ATOM 695 CA TRP A 47 29.412 27.840 28.276 1.00 0.00 C ATOM 696 C TRP A 47 27.938 28.192 28.568 1.00 0.00 C ATOM 697 O TRP A 47 27.171 28.461 27.639 1.00 0.00 O ATOM 698 CB TRP A 47 30.253 29.105 28.043 1.00 0.00 C ATOM 699 CG TRP A 47 30.348 30.094 29.162 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.394 30.989 29.504 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.489 30.384 30.027 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.853 31.795 30.526 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.143 31.474 30.883 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.799 29.869 30.138 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.048 32.022 31.804 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.713 30.407 31.066 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.342 31.479 31.896 1.00 0.00 C ATOM 0 H TRP A 47 28.909 27.376 26.322 1.00 0.00 H new ATOM 0 HA TRP A 47 29.772 27.291 29.146 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.265 28.792 27.785 1.00 0.00 H new ATOM 0 HB3 TRP A 47 29.848 29.621 27.173 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.419 31.062 29.046 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.305 32.536 30.962 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.105 29.051 29.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.755 32.849 32.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.707 29.992 31.140 1.00 0.00 H new ATOM 0 HH2 TRP A 47 34.050 31.885 32.603 1.00 0.00 H new ATOM 718 N CYS A 48 27.537 28.220 29.839 1.00 0.00 N ATOM 719 CA CYS A 48 26.176 28.540 30.291 1.00 0.00 C ATOM 720 C CYS A 48 26.125 29.879 31.048 1.00 0.00 C ATOM 721 O CYS A 48 27.050 30.223 31.787 1.00 0.00 O ATOM 722 CB CYS A 48 25.636 27.413 31.178 1.00 0.00 C ATOM 723 SG CYS A 48 25.614 25.746 30.470 1.00 0.00 S ATOM 0 H CYS A 48 28.170 28.014 30.612 1.00 0.00 H new ATOM 0 HA CYS A 48 25.548 28.637 29.405 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.232 27.385 32.090 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.618 27.670 31.470 1.00 0.00 H new ATOM 728 N THR A 49 25.023 30.618 30.904 1.00 0.00 N ATOM 729 CA THR A 49 24.825 31.959 31.488 1.00 0.00 C ATOM 730 C THR A 49 23.497 32.092 32.234 1.00 0.00 C ATOM 731 O THR A 49 22.616 31.240 32.107 1.00 0.00 O ATOM 732 CB THR A 49 24.962 33.074 30.430 1.00 0.00 C ATOM 733 OG1 THR A 49 23.939 33.048 29.458 1.00 0.00 O ATOM 734 CG2 THR A 49 26.279 32.993 29.665 1.00 0.00 C ATOM 0 H THR A 49 24.219 30.298 30.365 1.00 0.00 H new ATOM 0 HA THR A 49 25.622 32.081 32.221 1.00 0.00 H new ATOM 0 HB THR A 49 24.904 33.993 31.014 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.137 33.483 29.816 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.325 33.800 28.933 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.111 33.088 30.362 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.343 32.034 29.152 1.00 0.00 H new ATOM 742 N HIS A 50 23.336 33.181 32.995 1.00 0.00 N ATOM 743 CA HIS A 50 22.113 33.538 33.734 1.00 0.00 C ATOM 744 C HIS A 50 21.703 32.551 34.843 1.00 0.00 C ATOM 745 O HIS A 50 20.548 32.542 35.266 1.00 0.00 O ATOM 746 CB HIS A 50 20.973 33.869 32.748 1.00 0.00 C ATOM 747 CG HIS A 50 21.338 34.905 31.710 1.00 0.00 C ATOM 748 ND1 HIS A 50 21.765 34.650 30.399 1.00 0.00 N ATOM 749 CD2 HIS A 50 21.305 36.253 31.907 1.00 0.00 C ATOM 750 CE1 HIS A 50 21.959 35.860 29.839 1.00 0.00 C ATOM 751 NE2 HIS A 50 21.694 36.836 30.724 1.00 0.00 N ATOM 0 H HIS A 50 24.081 33.866 33.120 1.00 0.00 H new ATOM 0 HA HIS A 50 22.348 34.439 34.301 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.668 32.954 32.241 1.00 0.00 H new ATOM 0 HB3 HIS A 50 20.110 34.223 33.312 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.027 36.765 32.817 1.00 0.00 H new ATOM 0 HE1 HIS A 50 22.282 36.023 28.821 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.769 37.838 30.548 1.00 0.00 H new ATOM 759 N LEU A 51 22.626 31.728 35.349 1.00 0.00 N ATOM 760 CA LEU A 51 22.339 30.665 36.323 1.00 0.00 C ATOM 761 C LEU A 51 22.214 31.182 37.767 1.00 0.00 C ATOM 762 O LEU A 51 22.616 32.311 38.075 1.00 0.00 O ATOM 763 CB LEU A 51 23.404 29.553 36.237 1.00 0.00 C ATOM 764 CG LEU A 51 23.737 29.028 34.831 1.00 0.00 C ATOM 765 CD1 LEU A 51 24.696 27.849 34.959 1.00 0.00 C ATOM 766 CD2 LEU A 51 22.502 28.548 34.078 1.00 0.00 C ATOM 0 H LEU A 51 23.611 31.781 35.090 1.00 0.00 H new ATOM 0 HA LEU A 51 21.365 30.256 36.057 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.323 29.926 36.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.069 28.712 36.844 1.00 0.00 H new ATOM 0 HG LEU A 51 24.178 29.854 34.273 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.939 27.468 33.967 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.609 28.175 35.456 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.226 27.060 35.545 1.00 0.00 H new ATOM 0 HD21 LEU A 51 22.794 28.188 33.092 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.029 27.739 34.634 1.00 0.00 H new ATOM 0 HD23 LEU A 51 21.799 29.373 33.969 1.00 0.00 H new ATOM 778 N TYR A 52 21.671 30.342 38.651 1.00 0.00 N ATOM 779 CA TYR A 52 21.551 30.587 40.097 1.00 0.00 C ATOM 780 C TYR A 52 22.849 30.235 40.868 1.00 0.00 C ATOM 781 O TYR A 52 23.734 29.556 40.347 1.00 0.00 O ATOM 782 CB TYR A 52 20.333 29.819 40.645 1.00 0.00 C ATOM 783 CG TYR A 52 19.047 29.898 39.823 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.507 31.143 39.432 1.00 0.00 C ATOM 785 CD2 TYR A 52 18.378 28.712 39.460 1.00 0.00 C ATOM 786 CE1 TYR A 52 17.322 31.197 38.667 1.00 0.00 C ATOM 787 CE2 TYR A 52 17.197 28.765 38.693 1.00 0.00 C ATOM 788 CZ TYR A 52 16.666 30.007 38.287 1.00 0.00 C ATOM 789 OH TYR A 52 15.514 30.032 37.560 1.00 0.00 O ATOM 0 H TYR A 52 21.288 29.439 38.373 1.00 0.00 H new ATOM 0 HA TYR A 52 21.397 31.655 40.252 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.609 28.769 40.745 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.120 30.190 41.648 1.00 0.00 H new ATOM 0 HD1 TYR A 52 19.003 32.058 39.720 1.00 0.00 H new ATOM 0 HD2 TYR A 52 18.773 27.756 39.772 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.916 32.153 38.371 1.00 0.00 H new ATOM 0 HE2 TYR A 52 16.696 27.850 38.415 1.00 0.00 H new ATOM 0 HH TYR A 52 15.212 29.115 37.394 1.00 0.00 H new ATOM 799 N GLU A 53 22.976 30.661 42.132 1.00 0.00 N ATOM 800 CA GLU A 53 24.237 30.581 42.905 1.00 0.00 C ATOM 801 C GLU A 53 24.723 29.143 43.206 1.00 0.00 C ATOM 802 O GLU A 53 25.923 28.919 43.382 1.00 0.00 O ATOM 803 CB GLU A 53 24.095 31.368 44.224 1.00 0.00 C ATOM 804 CG GLU A 53 23.952 32.885 44.023 1.00 0.00 C ATOM 805 CD GLU A 53 23.771 33.621 45.360 1.00 0.00 C ATOM 806 OE1 GLU A 53 22.736 33.391 46.038 1.00 0.00 O ATOM 807 OE2 GLU A 53 24.659 34.413 45.765 1.00 0.00 O ATOM 0 H GLU A 53 22.205 31.075 42.656 1.00 0.00 H new ATOM 0 HA GLU A 53 25.000 31.024 42.265 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.225 30.998 44.766 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.966 31.173 44.849 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.835 33.269 43.513 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.097 33.088 43.377 1.00 0.00 H new ATOM 814 N GLN A 54 23.817 28.157 43.231 1.00 0.00 N ATOM 815 CA GLN A 54 24.130 26.737 43.487 1.00 0.00 C ATOM 816 C GLN A 54 24.313 25.891 42.208 1.00 0.00 C ATOM 817 O GLN A 54 24.531 24.678 42.311 1.00 0.00 O ATOM 818 CB GLN A 54 23.066 26.122 44.421 1.00 0.00 C ATOM 819 CG GLN A 54 23.214 26.528 45.895 1.00 0.00 C ATOM 820 CD GLN A 54 22.826 27.976 46.164 1.00 0.00 C ATOM 821 OE1 GLN A 54 21.676 28.371 46.023 1.00 0.00 O ATOM 822 NE2 GLN A 54 23.749 28.818 46.551 1.00 0.00 N ATOM 0 H GLN A 54 22.823 28.323 43.071 1.00 0.00 H new ATOM 0 HA GLN A 54 25.102 26.718 43.979 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.077 26.418 44.072 1.00 0.00 H new ATOM 0 HB3 GLN A 54 23.118 25.036 44.348 1.00 0.00 H new ATOM 0 HG2 GLN A 54 22.595 25.873 46.509 1.00 0.00 H new ATOM 0 HG3 GLN A 54 24.247 26.373 46.205 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.711 28.500 46.672 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.507 29.792 46.732 1.00 0.00 H new ATOM 831 N ALA A 55 24.228 26.493 41.014 1.00 0.00 N ATOM 832 CA ALA A 55 24.367 25.781 39.743 1.00 0.00 C ATOM 833 C ALA A 55 25.834 25.397 39.460 1.00 0.00 C ATOM 834 O ALA A 55 26.720 26.257 39.476 1.00 0.00 O ATOM 835 CB ALA A 55 23.771 26.639 38.623 1.00 0.00 C ATOM 0 H ALA A 55 24.060 27.493 40.906 1.00 0.00 H new ATOM 0 HA ALA A 55 23.817 24.841 39.797 1.00 0.00 H new ATOM 0 HB1 ALA A 55 23.870 26.116 37.672 1.00 0.00 H new ATOM 0 HB2 ALA A 55 22.716 26.823 38.828 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.302 27.590 38.571 1.00 0.00 H new ATOM 841 N VAL A 56 26.096 24.114 39.193 1.00 0.00 N ATOM 842 CA VAL A 56 27.461 23.557 39.123 1.00 0.00 C ATOM 843 C VAL A 56 28.042 23.653 37.702 1.00 0.00 C ATOM 844 O VAL A 56 27.964 22.709 36.909 1.00 0.00 O ATOM 845 CB VAL A 56 27.503 22.130 39.712 1.00 0.00 C ATOM 846 CG1 VAL A 56 28.934 21.572 39.746 1.00 0.00 C ATOM 847 CG2 VAL A 56 26.982 22.100 41.158 1.00 0.00 C ATOM 0 H VAL A 56 25.366 23.424 39.017 1.00 0.00 H new ATOM 0 HA VAL A 56 28.115 24.167 39.746 1.00 0.00 H new ATOM 0 HB VAL A 56 26.871 21.525 39.062 1.00 0.00 H new ATOM 0 HG11 VAL A 56 28.923 20.567 40.167 1.00 0.00 H new ATOM 0 HG12 VAL A 56 29.335 21.537 38.733 1.00 0.00 H new ATOM 0 HG13 VAL A 56 29.561 22.216 40.362 1.00 0.00 H new ATOM 0 HG21 VAL A 56 27.026 21.080 41.540 1.00 0.00 H new ATOM 0 HG22 VAL A 56 27.599 22.748 41.781 1.00 0.00 H new ATOM 0 HG23 VAL A 56 25.950 22.451 41.180 1.00 0.00 H new ATOM 857 N VAL A 57 28.640 24.813 37.404 1.00 0.00 N ATOM 858 CA VAL A 57 29.406 25.136 36.176 1.00 0.00 C ATOM 859 C VAL A 57 30.854 25.515 36.500 1.00 0.00 C ATOM 860 O VAL A 57 31.134 26.090 37.556 1.00 0.00 O ATOM 861 CB VAL A 57 28.760 26.262 35.347 1.00 0.00 C ATOM 862 CG1 VAL A 57 27.507 25.764 34.632 1.00 0.00 C ATOM 863 CG2 VAL A 57 28.410 27.512 36.170 1.00 0.00 C ATOM 0 H VAL A 57 28.605 25.604 38.047 1.00 0.00 H new ATOM 0 HA VAL A 57 29.395 24.226 35.576 1.00 0.00 H new ATOM 0 HB VAL A 57 29.517 26.555 34.619 1.00 0.00 H new ATOM 0 HG11 VAL A 57 27.070 26.578 34.054 1.00 0.00 H new ATOM 0 HG12 VAL A 57 27.771 24.945 33.963 1.00 0.00 H new ATOM 0 HG13 VAL A 57 26.784 25.413 35.368 1.00 0.00 H new ATOM 0 HG21 VAL A 57 27.959 28.261 35.519 1.00 0.00 H new ATOM 0 HG22 VAL A 57 27.705 27.244 36.957 1.00 0.00 H new ATOM 0 HG23 VAL A 57 29.317 27.918 36.618 1.00 0.00 H new ATOM 873 N TRP A 58 31.795 25.192 35.617 1.00 0.00 N ATOM 874 CA TRP A 58 33.231 25.144 35.929 1.00 0.00 C ATOM 875 C TRP A 58 34.052 26.287 35.297 1.00 0.00 C ATOM 876 O TRP A 58 33.544 27.015 34.436 1.00 0.00 O ATOM 877 CB TRP A 58 33.723 23.749 35.508 1.00 0.00 C ATOM 878 CG TRP A 58 33.408 22.615 36.448 1.00 0.00 C ATOM 879 CD1 TRP A 58 32.629 22.668 37.558 1.00 0.00 C ATOM 880 CD2 TRP A 58 33.912 21.244 36.396 1.00 0.00 C ATOM 881 NE1 TRP A 58 32.600 21.434 38.176 1.00 0.00 N ATOM 882 CE2 TRP A 58 33.353 20.512 37.487 1.00 0.00 C ATOM 883 CE3 TRP A 58 34.813 20.548 35.558 1.00 0.00 C ATOM 884 CZ2 TRP A 58 33.653 19.164 37.721 1.00 0.00 C ATOM 885 CZ3 TRP A 58 35.128 19.193 35.789 1.00 0.00 C ATOM 886 CH2 TRP A 58 34.543 18.497 36.862 1.00 0.00 C ATOM 0 H TRP A 58 31.584 24.952 34.648 1.00 0.00 H new ATOM 0 HA TRP A 58 33.380 25.303 36.997 1.00 0.00 H new ATOM 0 HB2 TRP A 58 33.293 23.515 34.534 1.00 0.00 H new ATOM 0 HB3 TRP A 58 34.804 23.793 35.377 1.00 0.00 H new ATOM 0 HD1 TRP A 58 32.108 23.547 37.907 1.00 0.00 H new ATOM 0 HE1 TRP A 58 32.086 21.232 39.034 1.00 0.00 H new ATOM 0 HE3 TRP A 58 35.269 21.064 34.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 33.205 18.642 38.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 35.824 18.686 35.137 1.00 0.00 H new ATOM 0 HH2 TRP A 58 34.777 17.455 37.025 1.00 0.00 H new ATOM 897 N PRO A 59 35.321 26.492 35.702 1.00 0.00 N ATOM 898 CA PRO A 59 36.279 27.272 34.919 1.00 0.00 C ATOM 899 C PRO A 59 36.648 26.543 33.615 1.00 0.00 C ATOM 900 O PRO A 59 36.739 25.309 33.590 1.00 0.00 O ATOM 901 CB PRO A 59 37.495 27.454 35.833 1.00 0.00 C ATOM 902 CG PRO A 59 37.466 26.197 36.702 1.00 0.00 C ATOM 903 CD PRO A 59 35.970 25.948 36.892 1.00 0.00 C ATOM 0 HA PRO A 59 35.869 28.234 34.611 1.00 0.00 H new ATOM 0 HB2 PRO A 59 38.421 27.528 35.262 1.00 0.00 H new ATOM 0 HB3 PRO A 59 37.416 28.361 36.433 1.00 0.00 H new ATOM 0 HG2 PRO A 59 37.957 25.356 36.212 1.00 0.00 H new ATOM 0 HG3 PRO A 59 37.974 26.352 37.654 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.761 24.883 36.999 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.604 26.437 37.795 1.00 0.00 H new ATOM 911 N LEU A 60 36.897 27.313 32.549 1.00 0.00 N ATOM 912 CA LEU A 60 37.369 26.822 31.249 1.00 0.00 C ATOM 913 C LEU A 60 38.679 26.012 31.411 1.00 0.00 C ATOM 914 O LEU A 60 39.664 26.570 31.917 1.00 0.00 O ATOM 915 CB LEU A 60 37.568 28.041 30.322 1.00 0.00 C ATOM 916 CG LEU A 60 38.198 27.741 28.948 1.00 0.00 C ATOM 917 CD1 LEU A 60 37.267 26.930 28.048 1.00 0.00 C ATOM 918 CD2 LEU A 60 38.536 29.053 28.241 1.00 0.00 C ATOM 0 H LEU A 60 36.772 28.325 32.568 1.00 0.00 H new ATOM 0 HA LEU A 60 36.635 26.146 30.810 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.599 28.514 30.161 1.00 0.00 H new ATOM 0 HB3 LEU A 60 38.196 28.768 30.838 1.00 0.00 H new ATOM 0 HG LEU A 60 39.097 27.152 29.129 1.00 0.00 H new ATOM 0 HD11 LEU A 60 37.756 26.744 27.092 1.00 0.00 H new ATOM 0 HD12 LEU A 60 37.035 25.979 28.527 1.00 0.00 H new ATOM 0 HD13 LEU A 60 36.345 27.487 27.882 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.981 28.839 27.270 1.00 0.00 H new ATOM 0 HD22 LEU A 60 37.626 29.636 28.102 1.00 0.00 H new ATOM 0 HD23 LEU A 60 39.242 29.621 28.846 1.00 0.00 H new ATOM 930 N PRO A 61 38.737 24.737 30.968 1.00 0.00 N ATOM 931 CA PRO A 61 39.950 23.924 31.033 1.00 0.00 C ATOM 932 C PRO A 61 41.075 24.442 30.130 1.00 0.00 C ATOM 933 O PRO A 61 40.833 24.993 29.052 1.00 0.00 O ATOM 934 CB PRO A 61 39.546 22.501 30.624 1.00 0.00 C ATOM 935 CG PRO A 61 38.035 22.467 30.831 1.00 0.00 C ATOM 936 CD PRO A 61 37.617 23.906 30.550 1.00 0.00 C ATOM 0 HA PRO A 61 40.354 23.961 32.045 1.00 0.00 H new ATOM 0 HB2 PRO A 61 39.811 22.294 29.587 1.00 0.00 H new ATOM 0 HB3 PRO A 61 40.049 21.753 31.237 1.00 0.00 H new ATOM 0 HG2 PRO A 61 37.550 21.766 30.151 1.00 0.00 H new ATOM 0 HG3 PRO A 61 37.773 22.161 31.844 1.00 0.00 H new ATOM 0 HD2 PRO A 61 37.398 24.049 29.492 1.00 0.00 H new ATOM 0 HD3 PRO A 61 36.712 24.164 31.101 1.00 0.00 H new ATOM 944 N ASN A 62 42.316 24.184 30.533 1.00 0.00 N ATOM 945 CA ASN A 62 43.533 24.418 29.752 1.00 0.00 C ATOM 946 C ASN A 62 44.428 23.156 29.660 1.00 0.00 C ATOM 947 O ASN A 62 45.577 23.239 29.216 1.00 0.00 O ATOM 948 CB ASN A 62 44.240 25.656 30.336 1.00 0.00 C ATOM 949 CG ASN A 62 45.297 26.259 29.425 1.00 0.00 C ATOM 950 OD1 ASN A 62 45.255 26.167 28.201 1.00 0.00 O ATOM 951 ND2 ASN A 62 46.254 26.944 29.996 1.00 0.00 N ATOM 0 H ASN A 62 42.512 23.789 31.453 1.00 0.00 H new ATOM 0 HA ASN A 62 43.282 24.626 28.712 1.00 0.00 H new ATOM 0 HB2 ASN A 62 43.492 26.417 30.558 1.00 0.00 H new ATOM 0 HB3 ASN A 62 44.706 25.381 31.282 1.00 0.00 H new ATOM 0 HD21 ASN A 62 46.965 27.401 29.425 1.00 0.00 H new ATOM 0 HD22 ASN A 62 46.290 27.021 31.012 1.00 0.00 H new ATOM 958 N LYS A 63 43.909 21.990 30.078 1.00 0.00 N ATOM 959 CA LYS A 63 44.502 20.652 29.909 1.00 0.00 C ATOM 960 C LYS A 63 43.453 19.601 29.524 1.00 0.00 C ATOM 961 O LYS A 63 42.266 19.722 29.848 1.00 0.00 O ATOM 962 CB LYS A 63 45.227 20.203 31.191 1.00 0.00 C ATOM 963 CG LYS A 63 46.398 21.119 31.575 1.00 0.00 C ATOM 964 CD LYS A 63 47.356 20.471 32.580 1.00 0.00 C ATOM 965 CE LYS A 63 46.619 20.047 33.852 1.00 0.00 C ATOM 966 NZ LYS A 63 47.523 19.363 34.797 1.00 0.00 N ATOM 0 H LYS A 63 43.016 21.953 30.570 1.00 0.00 H new ATOM 0 HA LYS A 63 45.222 20.732 29.094 1.00 0.00 H new ATOM 0 HB2 LYS A 63 44.512 20.173 32.014 1.00 0.00 H new ATOM 0 HB3 LYS A 63 45.598 19.187 31.054 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.951 21.390 30.676 1.00 0.00 H new ATOM 0 HG3 LYS A 63 46.006 22.044 31.998 1.00 0.00 H new ATOM 0 HD2 LYS A 63 47.831 19.602 32.125 1.00 0.00 H new ATOM 0 HD3 LYS A 63 48.151 21.173 32.834 1.00 0.00 H new ATOM 0 HE2 LYS A 63 46.185 20.924 34.332 1.00 0.00 H new ATOM 0 HE3 LYS A 63 45.793 19.384 33.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 46.992 19.089 35.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 47.918 18.513 34.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 48.297 20.005 35.063 1.00 0.00 H new ATOM 980 N THR A 64 43.924 18.545 28.868 1.00 0.00 N ATOM 981 CA THR A 64 43.135 17.440 28.300 1.00 0.00 C ATOM 982 C THR A 64 42.513 16.539 29.377 1.00 0.00 C ATOM 983 O THR A 64 43.162 16.240 30.387 1.00 0.00 O ATOM 984 CB THR A 64 44.007 16.579 27.360 1.00 0.00 C ATOM 985 OG1 THR A 64 44.895 17.388 26.609 1.00 0.00 O ATOM 986 CG2 THR A 64 43.177 15.788 26.354 1.00 0.00 C ATOM 0 H THR A 64 44.924 18.424 28.705 1.00 0.00 H new ATOM 0 HA THR A 64 42.321 17.900 27.740 1.00 0.00 H new ATOM 0 HB THR A 64 44.548 15.894 28.013 1.00 0.00 H new ATOM 0 HG1 THR A 64 45.438 16.821 26.023 1.00 0.00 H new ATOM 0 HG21 THR A 64 43.839 15.200 25.718 1.00 0.00 H new ATOM 0 HG22 THR A 64 42.499 15.121 26.886 1.00 0.00 H new ATOM 0 HG23 THR A 64 42.599 16.477 25.738 1.00 0.00 H new ATOM 994 N CYS A 65 41.290 16.054 29.143 1.00 0.00 N ATOM 995 CA CYS A 65 40.634 15.021 29.956 1.00 0.00 C ATOM 996 C CYS A 65 41.460 13.720 30.059 1.00 0.00 C ATOM 997 O CYS A 65 42.343 13.445 29.242 1.00 0.00 O ATOM 998 CB CYS A 65 39.252 14.688 29.366 1.00 0.00 C ATOM 999 SG CYS A 65 38.058 16.044 29.238 1.00 0.00 S ATOM 0 H CYS A 65 40.714 16.375 28.365 1.00 0.00 H new ATOM 0 HA CYS A 65 40.538 15.432 30.961 1.00 0.00 H new ATOM 0 HB2 CYS A 65 39.401 14.274 28.369 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.806 13.901 29.974 1.00 0.00 H new ATOM 1004 N ASN A 66 41.147 12.905 31.068 1.00 0.00 N ATOM 1005 CA ASN A 66 41.612 11.524 31.243 1.00 0.00 C ATOM 1006 C ASN A 66 40.552 10.743 32.053 1.00 0.00 C ATOM 1007 O ASN A 66 39.585 11.327 32.542 1.00 0.00 O ATOM 1008 CB ASN A 66 42.987 11.560 31.937 1.00 0.00 C ATOM 1009 CG ASN A 66 43.778 10.261 31.887 1.00 0.00 C ATOM 1010 OD1 ASN A 66 43.404 9.266 31.277 1.00 0.00 O ATOM 1011 ND2 ASN A 66 44.910 10.243 32.541 1.00 0.00 N ATOM 0 H ASN A 66 40.531 13.204 31.824 1.00 0.00 H new ATOM 0 HA ASN A 66 41.735 11.012 30.289 1.00 0.00 H new ATOM 0 HB2 ASN A 66 43.585 12.348 31.479 1.00 0.00 H new ATOM 0 HB3 ASN A 66 42.841 11.837 32.981 1.00 0.00 H new ATOM 0 HD21 ASN A 66 45.484 9.400 32.544 1.00 0.00 H new ATOM 0 HD22 ASN A 66 45.219 11.072 33.048 1.00 0.00 H new