USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 388 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 Single : A 9 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.5!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.013) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 102:sc= 1.11 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -160:sc= -0.372! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.463 K(o=0.46,f=-0.26) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= -0.158 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 62.168 -4.682 -38.318 1.00 1.00 N ATOM 58 CA GLY A 5 62.272 -3.489 -37.486 1.00 1.00 C ATOM 59 C GLY A 5 62.067 -3.831 -36.014 1.00 1.00 C ATOM 60 O GLY A 5 60.944 -3.805 -35.512 1.00 1.00 O ATOM 0 HA2 GLY A 5 63.251 -3.029 -37.624 1.00 1.00 H new ATOM 0 HA3 GLY A 5 61.529 -2.756 -37.800 1.00 1.00 H new ATOM 64 N ASP A 6 63.159 -4.154 -35.329 1.00 1.00 N ATOM 65 CA ASP A 6 63.088 -4.502 -33.916 1.00 1.00 C ATOM 66 C ASP A 6 62.606 -3.311 -33.094 1.00 1.00 C ATOM 67 O ASP A 6 62.522 -3.385 -31.867 1.00 1.00 O ATOM 68 CB ASP A 6 64.464 -4.946 -33.417 1.00 1.00 C ATOM 69 CG ASP A 6 64.359 -6.312 -32.748 1.00 1.00 C ATOM 70 OD1 ASP A 6 63.775 -6.383 -31.679 1.00 1.00 O ATOM 71 OD2 ASP A 6 64.865 -7.268 -33.313 1.00 1.00 O ATOM 0 H ASP A 6 64.098 -4.182 -35.727 1.00 1.00 H new ATOM 0 HA ASP A 6 62.378 -5.321 -33.798 1.00 1.00 H new ATOM 0 HB2 ASP A 6 65.165 -4.993 -34.251 1.00 1.00 H new ATOM 0 HB3 ASP A 6 64.857 -4.215 -32.711 1.00 1.00 H new ATOM 76 N PHE A 7 62.291 -2.216 -33.775 1.00 1.00 N ATOM 77 CA PHE A 7 61.819 -1.014 -33.098 1.00 1.00 C ATOM 78 C PHE A 7 60.306 -0.881 -33.234 1.00 1.00 C ATOM 79 O PHE A 7 59.586 -0.829 -32.237 1.00 1.00 O ATOM 80 CB PHE A 7 62.497 0.220 -33.695 1.00 1.00 C ATOM 81 CG PHE A 7 61.631 1.434 -33.463 1.00 1.00 C ATOM 82 CD1 PHE A 7 61.561 2.010 -32.189 1.00 1.00 C ATOM 83 CD2 PHE A 7 60.897 1.983 -34.521 1.00 1.00 C ATOM 84 CE1 PHE A 7 60.758 3.137 -31.973 1.00 1.00 C ATOM 85 CE2 PHE A 7 60.094 3.108 -34.305 1.00 1.00 C ATOM 86 CZ PHE A 7 60.024 3.685 -33.031 1.00 1.00 C ATOM 0 H PHE A 7 62.353 -2.135 -34.790 1.00 1.00 H new ATOM 0 HA PHE A 7 62.071 -1.092 -32.040 1.00 1.00 H new ATOM 0 HB2 PHE A 7 63.476 0.366 -33.239 1.00 1.00 H new ATOM 0 HB3 PHE A 7 62.661 0.076 -34.763 1.00 1.00 H new ATOM 0 HD1 PHE A 7 62.126 1.585 -31.373 1.00 1.00 H new ATOM 0 HD2 PHE A 7 60.951 1.538 -35.504 1.00 1.00 H new ATOM 0 HE1 PHE A 7 60.705 3.583 -30.991 1.00 1.00 H new ATOM 0 HE2 PHE A 7 59.528 3.532 -35.121 1.00 1.00 H new ATOM 0 HZ PHE A 7 59.403 4.553 -32.865 1.00 1.00 H new ATOM 96 N ASP A 8 59.830 -0.828 -34.474 1.00 1.00 N ATOM 97 CA ASP A 8 58.399 -0.702 -34.728 1.00 1.00 C ATOM 98 C ASP A 8 57.633 -1.832 -34.048 1.00 1.00 C ATOM 99 O ASP A 8 57.996 -3.001 -34.170 1.00 1.00 O ATOM 100 CB ASP A 8 58.132 -0.735 -36.233 1.00 1.00 C ATOM 101 CG ASP A 8 56.994 0.219 -36.582 1.00 1.00 C ATOM 102 OD1 ASP A 8 55.957 0.129 -35.946 1.00 1.00 O ATOM 103 OD2 ASP A 8 57.176 1.025 -37.479 1.00 1.00 O ATOM 0 H ASP A 8 60.409 -0.870 -35.313 1.00 1.00 H new ATOM 0 HA ASP A 8 58.058 0.249 -34.320 1.00 1.00 H new ATOM 0 HB2 ASP A 8 59.034 -0.453 -36.777 1.00 1.00 H new ATOM 0 HB3 ASP A 8 57.876 -1.748 -36.543 1.00 1.00 H new ATOM 108 N ASN A 9 56.572 -1.473 -33.334 1.00 1.00 N ATOM 109 CA ASN A 9 55.761 -2.466 -32.638 1.00 1.00 C ATOM 110 C ASN A 9 54.276 -2.149 -32.793 1.00 1.00 C ATOM 111 O ASN A 9 53.468 -3.036 -33.068 1.00 1.00 O ATOM 112 CB ASN A 9 56.126 -2.491 -31.153 1.00 1.00 C ATOM 113 CG ASN A 9 56.001 -3.910 -30.609 1.00 1.00 C ATOM 114 OD1 ASN A 9 55.299 -4.739 -31.189 1.00 1.00 O ATOM 115 ND2 ASN A 9 56.646 -4.243 -29.525 1.00 1.00 N ATOM 0 H ASN A 9 56.255 -0.510 -33.222 1.00 1.00 H new ATOM 0 HA ASN A 9 55.961 -3.443 -33.078 1.00 1.00 H new ATOM 0 HB2 ASN A 9 57.144 -2.128 -31.014 1.00 1.00 H new ATOM 0 HB3 ASN A 9 55.470 -1.821 -30.598 1.00 1.00 H new ATOM 0 HD21 ASN A 9 56.569 -5.191 -29.157 1.00 1.00 H new ATOM 0 HD22 ASN A 9 57.227 -3.555 -29.046 1.00 1.00 H new ATOM 122 N TYR A 10 53.925 -0.879 -32.616 1.00 1.00 N ATOM 123 CA TYR A 10 52.535 -0.458 -32.739 1.00 1.00 C ATOM 124 C TYR A 10 52.452 1.033 -33.050 1.00 1.00 C ATOM 125 O TYR A 10 51.677 1.457 -33.907 1.00 1.00 O ATOM 126 CB TYR A 10 51.782 -0.752 -31.440 1.00 1.00 C ATOM 127 CG TYR A 10 51.902 -2.220 -31.110 1.00 1.00 C ATOM 128 CD1 TYR A 10 51.142 -3.161 -31.816 1.00 1.00 C ATOM 129 CD2 TYR A 10 52.773 -2.643 -30.098 1.00 1.00 C ATOM 130 CE1 TYR A 10 51.253 -4.523 -31.511 1.00 1.00 C ATOM 131 CE2 TYR A 10 52.884 -4.004 -29.792 1.00 1.00 C ATOM 132 CZ TYR A 10 52.125 -4.944 -30.499 1.00 1.00 C ATOM 133 OH TYR A 10 52.234 -6.287 -30.198 1.00 1.00 O ATOM 0 H TYR A 10 54.578 -0.129 -32.389 1.00 1.00 H new ATOM 0 HA TYR A 10 52.078 -1.015 -33.557 1.00 1.00 H new ATOM 0 HB2 TYR A 10 52.189 -0.151 -30.627 1.00 1.00 H new ATOM 0 HB3 TYR A 10 50.733 -0.477 -31.545 1.00 1.00 H new ATOM 0 HD1 TYR A 10 50.470 -2.836 -32.596 1.00 1.00 H new ATOM 0 HD2 TYR A 10 53.360 -1.918 -29.553 1.00 1.00 H new ATOM 0 HE1 TYR A 10 50.667 -5.248 -32.056 1.00 1.00 H new ATOM 0 HE2 TYR A 10 53.555 -4.329 -29.011 1.00 1.00 H new ATOM 0 HH TYR A 10 52.882 -6.408 -29.473 1.00 1.00 H new ATOM 143 N TYR A 11 53.257 1.825 -32.347 1.00 1.00 N ATOM 144 CA TYR A 11 53.267 3.268 -32.557 1.00 1.00 C ATOM 145 C TYR A 11 51.945 3.883 -32.110 1.00 1.00 C ATOM 146 O TYR A 11 50.873 3.454 -32.537 1.00 1.00 O ATOM 147 CB TYR A 11 53.502 3.579 -34.036 1.00 1.00 C ATOM 148 CG TYR A 11 54.375 4.804 -34.160 1.00 1.00 C ATOM 149 CD1 TYR A 11 53.795 6.079 -34.170 1.00 1.00 C ATOM 150 CD2 TYR A 11 55.765 4.667 -34.265 1.00 1.00 C ATOM 151 CE1 TYR A 11 54.604 7.215 -34.284 1.00 1.00 C ATOM 152 CE2 TYR A 11 56.573 5.804 -34.380 1.00 1.00 C ATOM 153 CZ TYR A 11 55.994 7.078 -34.390 1.00 1.00 C ATOM 154 OH TYR A 11 56.791 8.199 -34.503 1.00 1.00 O ATOM 0 H TYR A 11 53.906 1.495 -31.633 1.00 1.00 H new ATOM 0 HA TYR A 11 54.074 3.697 -31.963 1.00 1.00 H new ATOM 0 HB2 TYR A 11 53.977 2.729 -34.526 1.00 1.00 H new ATOM 0 HB3 TYR A 11 52.550 3.746 -34.539 1.00 1.00 H new ATOM 0 HD1 TYR A 11 52.723 6.185 -34.090 1.00 1.00 H new ATOM 0 HD2 TYR A 11 56.213 3.684 -34.257 1.00 1.00 H new ATOM 0 HE1 TYR A 11 54.156 8.198 -34.290 1.00 1.00 H new ATOM 0 HE2 TYR A 11 57.645 5.698 -34.461 1.00 1.00 H new ATOM 0 HH TYR A 11 57.731 7.927 -34.566 1.00 1.00 H new ATOM 164 N GLY A 12 52.029 4.891 -31.248 1.00 1.00 N ATOM 165 CA GLY A 12 50.831 5.558 -30.750 1.00 1.00 C ATOM 166 C GLY A 12 49.866 4.554 -30.129 1.00 1.00 C ATOM 167 O GLY A 12 48.649 4.720 -30.204 1.00 1.00 O ATOM 0 H GLY A 12 52.906 5.262 -30.882 1.00 1.00 H new ATOM 0 HA2 GLY A 12 51.109 6.307 -30.009 1.00 1.00 H new ATOM 0 HA3 GLY A 12 50.338 6.085 -31.567 1.00 1.00 H new ATOM 171 N ALA A 13 50.418 3.512 -29.515 1.00 1.00 N ATOM 172 CA ALA A 13 49.595 2.486 -28.884 1.00 1.00 C ATOM 173 C ALA A 13 49.103 2.958 -27.521 1.00 1.00 C ATOM 174 O ALA A 13 47.983 2.652 -27.114 1.00 1.00 O ATOM 175 CB ALA A 13 50.403 1.197 -28.720 1.00 1.00 C ATOM 0 H ALA A 13 51.423 3.356 -29.441 1.00 1.00 H new ATOM 0 HA ALA A 13 48.732 2.295 -29.522 1.00 1.00 H new ATOM 0 HB1 ALA A 13 49.782 0.436 -28.248 1.00 1.00 H new ATOM 0 HB2 ALA A 13 50.728 0.844 -29.699 1.00 1.00 H new ATOM 0 HB3 ALA A 13 51.275 1.391 -28.096 1.00 1.00 H new ATOM 181 N ASP A 14 49.949 3.706 -26.817 1.00 1.00 N ATOM 182 CA ASP A 14 49.589 4.214 -25.499 1.00 1.00 C ATOM 183 C ASP A 14 48.279 4.993 -25.565 1.00 1.00 C ATOM 184 O ASP A 14 47.651 5.258 -24.540 1.00 1.00 O ATOM 185 CB ASP A 14 50.699 5.123 -24.969 1.00 1.00 C ATOM 186 CG ASP A 14 50.405 5.518 -23.525 1.00 1.00 C ATOM 187 OD1 ASP A 14 50.688 4.723 -22.645 1.00 1.00 O ATOM 188 OD2 ASP A 14 49.901 6.610 -23.322 1.00 1.00 O ATOM 0 H ASP A 14 50.881 3.971 -27.135 1.00 1.00 H new ATOM 0 HA ASP A 14 49.461 3.366 -24.826 1.00 1.00 H new ATOM 0 HB2 ASP A 14 51.659 4.610 -25.026 1.00 1.00 H new ATOM 0 HB3 ASP A 14 50.777 6.015 -25.590 1.00 1.00 H new ATOM 193 N ASN A 15 47.873 5.358 -26.777 1.00 1.00 N ATOM 194 CA ASN A 15 46.636 6.107 -26.964 1.00 1.00 C ATOM 195 C ASN A 15 45.452 5.338 -26.387 1.00 1.00 C ATOM 196 O ASN A 15 44.542 5.927 -25.802 1.00 1.00 O ATOM 197 CB ASN A 15 46.402 6.365 -28.454 1.00 1.00 C ATOM 198 CG ASN A 15 45.547 7.614 -28.638 1.00 1.00 C ATOM 199 OD1 ASN A 15 45.935 8.532 -29.362 1.00 1.00 O ATOM 200 ND2 ASN A 15 44.400 7.705 -28.022 1.00 1.00 N ATOM 0 H ASN A 15 48.378 5.149 -27.638 1.00 1.00 H new ATOM 0 HA ASN A 15 46.727 7.059 -26.440 1.00 1.00 H new ATOM 0 HB2 ASN A 15 47.357 6.489 -28.965 1.00 1.00 H new ATOM 0 HB3 ASN A 15 45.908 5.506 -28.907 1.00 1.00 H new ATOM 0 HD21 ASN A 15 43.823 8.538 -28.140 1.00 1.00 H new ATOM 0 HD22 ASN A 15 44.081 6.943 -27.423 1.00 1.00 H new ATOM 207 N GLN A 16 45.469 4.020 -26.554 1.00 1.00 N ATOM 208 CA GLN A 16 44.392 3.180 -26.046 1.00 1.00 C ATOM 209 C GLN A 16 44.805 2.513 -24.738 1.00 1.00 C ATOM 210 O GLN A 16 44.537 1.330 -24.522 1.00 1.00 O ATOM 211 CB GLN A 16 44.034 2.108 -27.077 1.00 1.00 C ATOM 212 CG GLN A 16 44.197 2.680 -28.486 1.00 1.00 C ATOM 213 CD GLN A 16 43.667 1.689 -29.517 1.00 1.00 C ATOM 214 OE1 GLN A 16 43.758 0.408 -29.282 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 43.157 2.092 -30.562 1.00 1.00 N flip ATOM 0 H GLN A 16 46.212 3.513 -27.034 1.00 1.00 H new ATOM 0 HA GLN A 16 43.522 3.810 -25.861 1.00 1.00 H new ATOM 0 HB2 GLN A 16 44.677 1.237 -26.950 1.00 1.00 H new ATOM 0 HB3 GLN A 16 43.008 1.771 -26.926 1.00 1.00 H new ATOM 0 HG2 GLN A 16 43.660 3.625 -28.568 1.00 1.00 H new ATOM 0 HG3 GLN A 16 45.248 2.893 -28.681 1.00 1.00 H new ATOM 0 HE21 GLN A 16 43.087 3.094 -30.742 1.00 1.00 H new ATOM 0 HE22 GLN A 16 42.804 1.425 -31.248 1.00 1.00 H new ATOM 224 N SER A 17 45.456 3.278 -23.869 1.00 1.00 N ATOM 225 CA SER A 17 45.901 2.749 -22.584 1.00 1.00 C ATOM 226 C SER A 17 45.762 3.806 -21.493 1.00 1.00 C ATOM 227 O SER A 17 45.431 4.958 -21.770 1.00 1.00 O ATOM 228 CB SER A 17 47.360 2.301 -22.681 1.00 1.00 C ATOM 229 OG SER A 17 47.477 0.974 -22.184 1.00 1.00 O ATOM 0 H SER A 17 45.686 4.259 -24.028 1.00 1.00 H new ATOM 0 HA SER A 17 45.275 1.894 -22.327 1.00 1.00 H new ATOM 0 HB2 SER A 17 47.698 2.345 -23.716 1.00 1.00 H new ATOM 0 HB3 SER A 17 47.998 2.974 -22.108 1.00 1.00 H new ATOM 0 HG SER A 17 48.411 0.683 -22.246 1.00 1.00 H new ATOM 235 N GLU A 18 46.018 3.405 -20.252 1.00 1.00 N ATOM 236 CA GLU A 18 45.918 4.326 -19.126 1.00 1.00 C ATOM 237 C GLU A 18 46.597 5.651 -19.457 1.00 1.00 C ATOM 238 O GLU A 18 47.825 5.745 -19.471 1.00 1.00 O ATOM 239 CB GLU A 18 46.573 3.710 -17.888 1.00 1.00 C ATOM 240 CG GLU A 18 45.890 2.382 -17.557 1.00 1.00 C ATOM 241 CD GLU A 18 46.534 1.760 -16.322 1.00 1.00 C ATOM 242 OE1 GLU A 18 47.713 1.454 -16.383 1.00 1.00 O ATOM 243 OE2 GLU A 18 45.836 1.597 -15.334 1.00 1.00 O ATOM 0 H GLU A 18 46.294 2.456 -20.002 1.00 1.00 H new ATOM 0 HA GLU A 18 44.863 4.511 -18.924 1.00 1.00 H new ATOM 0 HB2 GLU A 18 47.636 3.550 -18.068 1.00 1.00 H new ATOM 0 HB3 GLU A 18 46.492 4.393 -17.043 1.00 1.00 H new ATOM 0 HG2 GLU A 18 44.827 2.544 -17.381 1.00 1.00 H new ATOM 0 HG3 GLU A 18 45.972 1.700 -18.403 1.00 1.00 H new ATOM 250 N CYS A 19 45.790 6.674 -19.722 1.00 1.00 N ATOM 251 CA CYS A 19 46.324 7.989 -20.052 1.00 1.00 C ATOM 252 C CYS A 19 45.472 9.087 -19.423 1.00 1.00 C ATOM 253 O CYS A 19 45.995 10.089 -18.934 1.00 1.00 O ATOM 254 CB CYS A 19 46.358 8.175 -21.570 1.00 1.00 C ATOM 255 SG CYS A 19 48.009 8.719 -22.075 1.00 1.00 S ATOM 0 H CYS A 19 44.772 6.618 -19.715 1.00 1.00 H new ATOM 0 HA CYS A 19 47.337 8.058 -19.655 1.00 1.00 H new ATOM 0 HB2 CYS A 19 46.104 7.239 -22.067 1.00 1.00 H new ATOM 0 HB3 CYS A 19 45.613 8.910 -21.874 1.00 1.00 H new ATOM 0 HG CYS A 19 48.664 7.712 -22.572 1.00 1.00 H new ATOM 261 N GLU A 20 44.158 8.890 -19.437 1.00 1.00 N ATOM 262 CA GLU A 20 43.242 9.870 -18.864 1.00 1.00 C ATOM 263 C GLU A 20 41.997 9.182 -18.313 1.00 1.00 C ATOM 264 O GLU A 20 40.887 9.701 -18.428 1.00 1.00 O ATOM 265 CB GLU A 20 42.834 10.889 -19.930 1.00 1.00 C ATOM 266 CG GLU A 20 44.066 11.675 -20.384 1.00 1.00 C ATOM 267 CD GLU A 20 43.638 12.882 -21.213 1.00 1.00 C ATOM 268 OE1 GLU A 20 42.787 12.714 -22.070 1.00 1.00 O ATOM 269 OE2 GLU A 20 44.169 13.955 -20.978 1.00 1.00 O ATOM 0 H GLU A 20 43.706 8.067 -19.836 1.00 1.00 H new ATOM 0 HA GLU A 20 43.752 10.382 -18.048 1.00 1.00 H new ATOM 0 HB2 GLU A 20 42.381 10.380 -20.780 1.00 1.00 H new ATOM 0 HB3 GLU A 20 42.083 11.570 -19.529 1.00 1.00 H new ATOM 0 HG2 GLU A 20 44.638 12.004 -19.516 1.00 1.00 H new ATOM 0 HG3 GLU A 20 44.721 11.033 -20.973 1.00 1.00 H new ATOM 276 N TYR A 21 42.190 8.012 -17.715 1.00 1.00 N ATOM 277 CA TYR A 21 41.075 7.261 -17.149 1.00 1.00 C ATOM 278 C TYR A 21 41.469 6.646 -15.809 1.00 1.00 C ATOM 279 O TYR A 21 40.773 5.773 -15.288 1.00 1.00 O ATOM 280 CB TYR A 21 40.647 6.155 -18.115 1.00 1.00 C ATOM 281 CG TYR A 21 40.422 6.743 -19.486 1.00 1.00 C ATOM 282 CD1 TYR A 21 39.290 7.529 -19.733 1.00 1.00 C ATOM 283 CD2 TYR A 21 41.345 6.504 -20.511 1.00 1.00 C ATOM 284 CE1 TYR A 21 39.080 8.075 -21.005 1.00 1.00 C ATOM 285 CE2 TYR A 21 41.135 7.050 -21.783 1.00 1.00 C ATOM 286 CZ TYR A 21 40.003 7.835 -22.031 1.00 1.00 C ATOM 287 OH TYR A 21 39.797 8.373 -23.284 1.00 1.00 O ATOM 0 H TYR A 21 43.101 7.565 -17.610 1.00 1.00 H new ATOM 0 HA TYR A 21 40.242 7.946 -16.990 1.00 1.00 H new ATOM 0 HB2 TYR A 21 41.413 5.381 -18.161 1.00 1.00 H new ATOM 0 HB3 TYR A 21 39.734 5.679 -17.758 1.00 1.00 H new ATOM 0 HD1 TYR A 21 38.578 7.714 -18.942 1.00 1.00 H new ATOM 0 HD2 TYR A 21 42.219 5.899 -20.321 1.00 1.00 H new ATOM 0 HE1 TYR A 21 38.207 8.681 -21.195 1.00 1.00 H new ATOM 0 HE2 TYR A 21 41.847 6.865 -22.574 1.00 1.00 H new ATOM 0 HH TYR A 21 40.531 8.111 -23.877 1.00 1.00 H new ATOM 297 N THR A 22 42.587 7.107 -15.257 1.00 1.00 N ATOM 298 CA THR A 22 43.062 6.594 -13.977 1.00 1.00 C ATOM 299 C THR A 22 44.245 7.415 -13.477 1.00 1.00 C ATOM 300 O THR A 22 44.410 7.617 -12.274 1.00 1.00 O ATOM 301 CB THR A 22 43.480 5.129 -14.124 1.00 1.00 C ATOM 302 OG1 THR A 22 43.922 4.637 -12.866 1.00 1.00 O ATOM 303 CG2 THR A 22 44.615 5.020 -15.144 1.00 1.00 C ATOM 0 H THR A 22 43.177 7.829 -15.672 1.00 1.00 H new ATOM 0 HA THR A 22 42.251 6.669 -13.253 1.00 1.00 H new ATOM 0 HB THR A 22 42.629 4.540 -14.467 1.00 1.00 H new ATOM 0 HG1 THR A 22 44.189 3.698 -12.957 1.00 1.00 H new ATOM 0 HG21 THR A 22 44.912 3.976 -15.248 1.00 1.00 H new ATOM 0 HG22 THR A 22 44.275 5.398 -16.108 1.00 1.00 H new ATOM 0 HG23 THR A 22 45.468 5.608 -14.804 1.00 1.00 H new ATOM 311 N ASP A 23 45.067 7.888 -14.409 1.00 1.00 N ATOM 312 CA ASP A 23 46.233 8.689 -14.051 1.00 1.00 C ATOM 313 C ASP A 23 45.848 10.156 -13.896 1.00 1.00 C ATOM 314 O ASP A 23 46.674 11.048 -14.092 1.00 1.00 O ATOM 315 CB ASP A 23 47.309 8.553 -15.128 1.00 1.00 C ATOM 316 CG ASP A 23 47.012 7.347 -16.014 1.00 1.00 C ATOM 317 OD1 ASP A 23 46.096 7.435 -16.813 1.00 1.00 O ATOM 318 OD2 ASP A 23 47.706 6.352 -15.878 1.00 1.00 O ATOM 0 H ASP A 23 44.949 7.732 -15.410 1.00 1.00 H new ATOM 0 HA ASP A 23 46.623 8.325 -13.100 1.00 1.00 H new ATOM 0 HB2 ASP A 23 47.346 9.459 -15.733 1.00 1.00 H new ATOM 0 HB3 ASP A 23 48.288 8.440 -14.663 1.00 1.00 H new ATOM 323 N TRP A 24 44.590 10.399 -13.543 1.00 1.00 N ATOM 324 CA TRP A 24 44.107 11.764 -13.365 1.00 1.00 C ATOM 325 C TRP A 24 42.845 11.777 -12.507 1.00 1.00 C ATOM 326 O TRP A 24 41.984 12.641 -12.668 1.00 1.00 O ATOM 327 CB TRP A 24 43.809 12.394 -14.726 1.00 1.00 C ATOM 328 CG TRP A 24 42.440 11.990 -15.173 1.00 1.00 C ATOM 329 CD1 TRP A 24 42.113 10.775 -15.669 1.00 1.00 C ATOM 330 CD2 TRP A 24 41.214 12.776 -15.174 1.00 1.00 C ATOM 331 NE1 TRP A 24 40.764 10.764 -15.974 1.00 1.00 N ATOM 332 CE2 TRP A 24 40.166 11.976 -15.687 1.00 1.00 C ATOM 333 CE3 TRP A 24 40.912 14.094 -14.784 1.00 1.00 C ATOM 334 CZ2 TRP A 24 38.865 12.464 -15.809 1.00 1.00 C ATOM 335 CZ3 TRP A 24 39.603 14.588 -14.905 1.00 1.00 C ATOM 336 CH2 TRP A 24 38.581 13.775 -15.417 1.00 1.00 C ATOM 0 H TRP A 24 43.891 9.675 -13.376 1.00 1.00 H new ATOM 0 HA TRP A 24 44.882 12.342 -12.861 1.00 1.00 H new ATOM 0 HB2 TRP A 24 43.876 13.480 -14.659 1.00 1.00 H new ATOM 0 HB3 TRP A 24 44.551 12.074 -15.457 1.00 1.00 H new ATOM 0 HD1 TRP A 24 42.794 9.948 -15.805 1.00 1.00 H new ATOM 0 HE1 TRP A 24 40.271 9.960 -16.363 1.00 1.00 H new ATOM 0 HE3 TRP A 24 41.691 14.729 -14.389 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 38.082 11.833 -16.204 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 39.382 15.601 -14.602 1.00 1.00 H new ATOM 0 HH2 TRP A 24 37.577 14.161 -15.508 1.00 1.00 H new ATOM 347 N LYS A 25 42.744 10.815 -11.597 1.00 1.00 N ATOM 348 CA LYS A 25 41.583 10.725 -10.719 1.00 1.00 C ATOM 349 C LYS A 25 41.275 12.083 -10.098 1.00 1.00 C ATOM 350 O LYS A 25 40.184 12.626 -10.280 1.00 1.00 O ATOM 351 CB LYS A 25 41.845 9.702 -9.612 1.00 1.00 C ATOM 352 CG LYS A 25 40.527 9.367 -8.904 1.00 1.00 C ATOM 353 CD LYS A 25 40.034 7.977 -9.325 1.00 1.00 C ATOM 354 CE LYS A 25 39.644 7.995 -10.805 1.00 1.00 C ATOM 355 NZ LYS A 25 38.914 6.739 -11.140 1.00 1.00 N ATOM 0 H LYS A 25 43.447 10.091 -11.448 1.00 1.00 H new ATOM 0 HA LYS A 25 40.725 10.407 -11.312 1.00 1.00 H new ATOM 0 HB2 LYS A 25 42.284 8.798 -10.034 1.00 1.00 H new ATOM 0 HB3 LYS A 25 42.564 10.101 -8.896 1.00 1.00 H new ATOM 0 HG2 LYS A 25 40.669 9.398 -7.824 1.00 1.00 H new ATOM 0 HG3 LYS A 25 39.774 10.117 -9.149 1.00 1.00 H new ATOM 0 HD2 LYS A 25 40.815 7.236 -9.154 1.00 1.00 H new ATOM 0 HD3 LYS A 25 39.178 7.684 -8.717 1.00 1.00 H new ATOM 0 HE2 LYS A 25 39.017 8.861 -11.017 1.00 1.00 H new ATOM 0 HE3 LYS A 25 40.535 8.088 -11.426 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 38.648 6.750 -12.145 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 39.527 5.920 -10.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 38.056 6.670 -10.556 1.00 1.00 H new ATOM 369 N SER A 26 42.241 12.627 -9.366 1.00 1.00 N ATOM 370 CA SER A 26 42.062 13.923 -8.723 1.00 1.00 C ATOM 371 C SER A 26 43.412 14.541 -8.375 1.00 1.00 C ATOM 372 O SER A 26 43.882 15.451 -9.056 1.00 1.00 O ATOM 373 CB SER A 26 41.228 13.764 -7.451 1.00 1.00 C ATOM 374 OG SER A 26 41.982 13.052 -6.480 1.00 1.00 O ATOM 0 H SER A 26 43.150 12.194 -9.204 1.00 1.00 H new ATOM 0 HA SER A 26 41.542 14.583 -9.418 1.00 1.00 H new ATOM 0 HB2 SER A 26 40.946 14.743 -7.063 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.304 13.231 -7.673 1.00 1.00 H new ATOM 0 HG SER A 26 41.377 12.674 -5.808 1.00 1.00 H new ATOM 380 N SER A 27 44.031 14.038 -7.313 1.00 1.00 N ATOM 381 CA SER A 27 45.329 14.546 -6.886 1.00 1.00 C ATOM 382 C SER A 27 45.179 15.911 -6.220 1.00 1.00 C ATOM 383 O SER A 27 46.092 16.736 -6.269 1.00 1.00 O ATOM 384 CB SER A 27 46.262 14.665 -8.089 1.00 1.00 C ATOM 385 OG SER A 27 47.591 14.363 -7.685 1.00 1.00 O ATOM 0 H SER A 27 43.658 13.284 -6.736 1.00 1.00 H new ATOM 0 HA SER A 27 45.752 13.847 -6.164 1.00 1.00 H new ATOM 0 HB2 SER A 27 45.946 13.983 -8.878 1.00 1.00 H new ATOM 0 HB3 SER A 27 46.215 15.673 -8.502 1.00 1.00 H new ATOM 0 HG SER A 27 48.192 14.437 -8.456 1.00 1.00 H new ATOM 391 N GLY A 28 44.024 16.140 -5.601 1.00 1.00 N ATOM 392 CA GLY A 28 43.760 17.408 -4.926 1.00 1.00 C ATOM 393 C GLY A 28 42.463 18.032 -5.430 1.00 1.00 C ATOM 394 O GLY A 28 42.198 19.211 -5.193 1.00 1.00 O ATOM 0 H GLY A 28 43.259 15.467 -5.553 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.696 17.246 -3.850 1.00 1.00 H new ATOM 0 HA3 GLY A 28 44.589 18.095 -5.096 1.00 1.00 H new ATOM 398 N ALA A 29 41.657 17.235 -6.125 1.00 1.00 N ATOM 399 CA ALA A 29 40.390 17.723 -6.658 1.00 1.00 C ATOM 400 C ALA A 29 39.250 17.424 -5.689 1.00 1.00 C ATOM 401 O ALA A 29 38.626 18.339 -5.149 1.00 1.00 O ATOM 402 CB ALA A 29 40.102 17.062 -8.006 1.00 1.00 C ATOM 0 H ALA A 29 41.856 16.256 -6.331 1.00 1.00 H new ATOM 0 HA ALA A 29 40.465 18.802 -6.791 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.154 17.432 -8.397 1.00 1.00 H new ATOM 0 HB2 ALA A 29 40.902 17.301 -8.707 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.044 15.981 -7.876 1.00 1.00 H new ATOM 408 N LEU A 30 38.982 16.141 -5.474 1.00 1.00 N ATOM 409 CA LEU A 30 37.913 15.734 -4.570 1.00 1.00 C ATOM 410 C LEU A 30 38.483 15.323 -3.216 1.00 1.00 C ATOM 411 O LEU A 30 37.739 14.988 -2.295 1.00 1.00 O ATOM 412 CB LEU A 30 37.136 14.563 -5.174 1.00 1.00 C ATOM 413 CG LEU A 30 38.079 13.374 -5.369 1.00 1.00 C ATOM 414 CD1 LEU A 30 37.831 12.333 -4.277 1.00 1.00 C ATOM 415 CD2 LEU A 30 37.831 12.741 -6.740 1.00 1.00 C ATOM 0 H LEU A 30 39.487 15.369 -5.910 1.00 1.00 H new ATOM 0 HA LEU A 30 37.242 16.581 -4.427 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.311 14.283 -4.519 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.700 14.856 -6.129 1.00 1.00 H new ATOM 0 HG LEU A 30 39.110 13.722 -5.310 1.00 1.00 H new ATOM 0 HD11 LEU A 30 38.505 11.488 -4.420 1.00 1.00 H new ATOM 0 HD12 LEU A 30 38.012 12.780 -3.300 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.799 11.987 -4.332 1.00 1.00 H new ATOM 0 HD21 LEU A 30 38.504 11.894 -6.877 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.798 12.398 -6.801 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.014 13.480 -7.520 1.00 1.00 H new ATOM 427 N ILE A 31 39.806 15.351 -3.103 1.00 1.00 N ATOM 428 CA ILE A 31 40.463 14.979 -1.856 1.00 1.00 C ATOM 429 C ILE A 31 40.197 16.016 -0.760 1.00 1.00 C ATOM 430 O ILE A 31 40.008 15.655 0.401 1.00 1.00 O ATOM 431 CB ILE A 31 41.971 14.830 -2.071 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.248 14.494 -3.539 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.501 13.700 -1.185 1.00 1.00 C ATOM 434 CD1 ILE A 31 43.615 13.819 -3.658 1.00 1.00 C ATOM 0 H ILE A 31 40.440 15.625 -3.853 1.00 1.00 H new ATOM 0 HA ILE A 31 40.050 14.023 -1.535 1.00 1.00 H new ATOM 0 HB ILE A 31 42.469 15.764 -1.811 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.470 13.835 -3.925 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.225 15.402 -4.142 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.575 13.592 -1.337 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.304 13.935 -0.139 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.002 12.767 -1.448 1.00 1.00 H new ATOM 0 HD11 ILE A 31 43.813 13.580 -4.703 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.387 14.493 -3.288 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.621 12.902 -3.068 1.00 1.00 H new ATOM 446 N PRO A 32 40.174 17.284 -1.096 1.00 1.00 N ATOM 447 CA PRO A 32 39.922 18.364 -0.111 1.00 1.00 C ATOM 448 C PRO A 32 38.430 18.638 0.060 1.00 1.00 C ATOM 449 O PRO A 32 38.032 19.721 0.489 1.00 1.00 O ATOM 450 CB PRO A 32 40.638 19.569 -0.720 1.00 1.00 C ATOM 451 CG PRO A 32 40.669 19.328 -2.200 1.00 1.00 C ATOM 452 CD PRO A 32 40.383 17.838 -2.442 1.00 1.00 C ATOM 0 HA PRO A 32 40.278 18.112 0.888 1.00 1.00 H new ATOM 0 HB2 PRO A 32 40.112 20.494 -0.487 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.647 19.667 -0.319 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.925 19.946 -2.703 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.641 19.602 -2.611 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.503 17.699 -3.070 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.216 17.350 -2.948 1.00 1.00 H new ATOM 460 N ALA A 33 37.615 17.644 -0.281 1.00 1.00 N ATOM 461 CA ALA A 33 36.166 17.775 -0.168 1.00 1.00 C ATOM 462 C ALA A 33 35.578 16.577 0.572 1.00 1.00 C ATOM 463 O ALA A 33 34.581 16.702 1.283 1.00 1.00 O ATOM 464 CB ALA A 33 35.543 17.868 -1.562 1.00 1.00 C ATOM 0 H ALA A 33 37.932 16.742 -0.637 1.00 1.00 H new ATOM 0 HA ALA A 33 35.943 18.682 0.393 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.461 17.966 -1.471 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.944 18.738 -2.082 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.780 16.967 -2.127 1.00 1.00 H new ATOM 470 N ILE A 34 36.203 15.417 0.397 1.00 1.00 N ATOM 471 CA ILE A 34 35.733 14.201 1.051 1.00 1.00 C ATOM 472 C ILE A 34 36.593 13.881 2.269 1.00 1.00 C ATOM 473 O ILE A 34 36.096 13.377 3.276 1.00 1.00 O ATOM 474 CB ILE A 34 35.783 13.031 0.066 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.090 13.435 -1.238 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.067 11.823 0.671 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.172 12.286 -2.245 1.00 1.00 C ATOM 0 H ILE A 34 37.030 15.293 -0.187 1.00 1.00 H new ATOM 0 HA ILE A 34 34.706 14.358 1.379 1.00 1.00 H new ATOM 0 HB ILE A 34 36.822 12.771 -0.138 1.00 1.00 H new ATOM 0 HG12 ILE A 34 34.047 13.687 -1.044 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.562 14.327 -1.650 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.103 10.990 -0.031 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.559 11.536 1.600 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.028 12.081 0.875 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.677 12.578 -3.171 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.218 12.055 -2.449 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.679 11.405 -1.833 1.00 1.00 H new ATOM 489 N TYR A 35 37.885 14.175 2.169 1.00 1.00 N ATOM 490 CA TYR A 35 38.805 13.914 3.270 1.00 1.00 C ATOM 491 C TYR A 35 38.741 15.035 4.301 1.00 1.00 C ATOM 492 O TYR A 35 38.916 14.804 5.498 1.00 1.00 O ATOM 493 CB TYR A 35 40.234 13.788 2.738 1.00 1.00 C ATOM 494 CG TYR A 35 41.096 13.095 3.766 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.956 11.719 3.984 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.035 13.829 4.501 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.754 11.076 4.938 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.835 13.185 5.454 1.00 1.00 C ATOM 499 CZ TYR A 35 42.694 11.809 5.672 1.00 1.00 C ATOM 500 OH TYR A 35 43.482 11.176 6.612 1.00 1.00 O ATOM 0 H TYR A 35 38.316 14.591 1.344 1.00 1.00 H new ATOM 0 HA TYR A 35 38.512 12.980 3.749 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.238 13.224 1.805 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.639 14.775 2.515 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.232 11.153 3.416 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.142 14.890 4.333 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.644 10.015 5.108 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.560 13.750 6.021 1.00 1.00 H new ATOM 0 HH TYR A 35 44.081 11.829 7.030 1.00 1.00 H new ATOM 510 N MET A 36 38.490 16.253 3.830 1.00 1.00 N ATOM 511 CA MET A 36 38.405 17.404 4.721 1.00 1.00 C ATOM 512 C MET A 36 37.070 17.415 5.458 1.00 1.00 C ATOM 513 O MET A 36 37.024 17.574 6.677 1.00 1.00 O ATOM 514 CB MET A 36 38.558 18.698 3.918 1.00 1.00 C ATOM 515 CG MET A 36 38.703 19.880 4.877 1.00 1.00 C ATOM 516 SD MET A 36 40.381 20.549 4.759 1.00 1.00 S ATOM 517 CE MET A 36 40.113 21.574 3.291 1.00 1.00 C ATOM 0 H MET A 36 38.343 16.467 2.844 1.00 1.00 H new ATOM 0 HA MET A 36 39.210 17.333 5.453 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.431 18.634 3.268 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.691 18.843 3.274 1.00 1.00 H new ATOM 0 HG2 MET A 36 37.974 20.652 4.632 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.498 19.561 5.899 1.00 1.00 H new ATOM 0 HE1 MET A 36 41.038 22.089 3.033 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.805 20.943 2.458 1.00 1.00 H new ATOM 0 HE3 MET A 36 39.334 22.308 3.497 1.00 1.00 H new ATOM 527 N LEU A 37 35.985 17.245 4.709 1.00 1.00 N ATOM 528 CA LEU A 37 34.653 17.238 5.303 1.00 1.00 C ATOM 529 C LEU A 37 34.403 15.928 6.044 1.00 1.00 C ATOM 530 O LEU A 37 33.257 15.549 6.284 1.00 1.00 O ATOM 531 CB LEU A 37 33.594 17.420 4.214 1.00 1.00 C ATOM 532 CG LEU A 37 33.967 18.615 3.334 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.900 18.806 2.254 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.051 19.876 4.197 1.00 1.00 C ATOM 0 H LEU A 37 36.001 17.111 3.698 1.00 1.00 H new ATOM 0 HA LEU A 37 34.589 18.062 6.013 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.522 16.517 3.608 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.615 17.580 4.667 1.00 1.00 H new ATOM 0 HG LEU A 37 34.932 18.432 2.862 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.165 19.657 1.627 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.839 17.908 1.640 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.934 18.989 2.725 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.317 20.728 3.571 1.00 1.00 H new ATOM 0 HD22 LEU A 37 33.086 20.059 4.669 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.811 19.740 4.967 1.00 1.00 H new ATOM 546 N VAL A 38 35.483 15.243 6.403 1.00 1.00 N ATOM 547 CA VAL A 38 35.369 13.976 7.118 1.00 1.00 C ATOM 548 C VAL A 38 36.420 13.886 8.219 1.00 1.00 C ATOM 549 O VAL A 38 36.237 13.175 9.208 1.00 1.00 O ATOM 550 CB VAL A 38 35.546 12.810 6.144 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.643 11.500 6.928 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.344 12.749 5.199 1.00 1.00 C ATOM 0 H VAL A 38 36.440 15.540 6.213 1.00 1.00 H new ATOM 0 HA VAL A 38 34.379 13.923 7.572 1.00 1.00 H new ATOM 0 HB VAL A 38 36.458 12.956 5.565 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.769 10.669 6.234 1.00 1.00 H new ATOM 0 HG12 VAL A 38 36.498 11.542 7.603 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.731 11.354 7.507 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.469 11.918 4.504 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.432 12.603 5.779 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.273 13.682 4.640 1.00 1.00 H new ATOM 562 N PHE A 39 37.520 14.610 8.042 1.00 1.00 N ATOM 563 CA PHE A 39 38.594 14.603 9.029 1.00 1.00 C ATOM 564 C PHE A 39 38.148 15.301 10.310 1.00 1.00 C ATOM 565 O PHE A 39 38.388 14.807 11.412 1.00 1.00 O ATOM 566 CB PHE A 39 39.827 15.309 8.463 1.00 1.00 C ATOM 567 CG PHE A 39 40.620 15.920 9.593 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.384 15.102 10.434 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.593 17.304 9.801 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.120 15.667 11.482 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.328 17.869 10.849 1.00 1.00 C ATOM 572 CZ PHE A 39 42.092 17.051 11.690 1.00 1.00 C ATOM 0 H PHE A 39 37.691 15.205 7.231 1.00 1.00 H new ATOM 0 HA PHE A 39 38.843 13.568 9.261 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.445 14.599 7.913 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.524 16.082 7.757 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.405 14.034 10.274 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.005 17.936 9.152 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.709 15.035 12.130 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.306 18.937 11.009 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.659 17.487 12.499 1.00 1.00 H new ATOM 582 N LEU A 40 37.499 16.450 10.157 1.00 1.00 N ATOM 583 CA LEU A 40 37.025 17.207 11.309 1.00 1.00 C ATOM 584 C LEU A 40 35.581 16.839 11.635 1.00 1.00 C ATOM 585 O LEU A 40 34.945 17.471 12.478 1.00 1.00 O ATOM 586 CB LEU A 40 37.119 18.708 11.024 1.00 1.00 C ATOM 587 CG LEU A 40 36.252 19.051 9.812 1.00 1.00 C ATOM 588 CD1 LEU A 40 35.009 19.816 10.273 1.00 1.00 C ATOM 589 CD2 LEU A 40 37.054 19.922 8.843 1.00 1.00 C ATOM 0 H LEU A 40 37.290 16.875 9.254 1.00 1.00 H new ATOM 0 HA LEU A 40 37.653 16.960 12.165 1.00 1.00 H new ATOM 0 HB2 LEU A 40 36.788 19.276 11.894 1.00 1.00 H new ATOM 0 HB3 LEU A 40 38.155 18.989 10.835 1.00 1.00 H new ATOM 0 HG LEU A 40 35.948 18.132 9.311 1.00 1.00 H new ATOM 0 HD11 LEU A 40 34.391 20.061 9.409 1.00 1.00 H new ATOM 0 HD12 LEU A 40 34.437 19.198 10.965 1.00 1.00 H new ATOM 0 HD13 LEU A 40 35.313 20.735 10.774 1.00 1.00 H new ATOM 0 HD21 LEU A 40 36.437 20.167 7.978 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.357 20.841 9.345 1.00 1.00 H new ATOM 0 HD23 LEU A 40 37.940 19.379 8.514 1.00 1.00 H new ATOM 601 N LEU A 41 35.071 15.813 10.963 1.00 1.00 N ATOM 602 CA LEU A 41 33.701 15.368 11.188 1.00 1.00 C ATOM 603 C LEU A 41 33.634 13.845 11.239 1.00 1.00 C ATOM 604 O LEU A 41 32.553 13.265 11.348 1.00 1.00 O ATOM 605 CB LEU A 41 32.794 15.883 10.069 1.00 1.00 C ATOM 606 CG LEU A 41 31.855 16.956 10.623 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.116 17.634 9.468 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.837 16.309 11.566 1.00 1.00 C ATOM 0 H LEU A 41 35.582 15.277 10.262 1.00 1.00 H new ATOM 0 HA LEU A 41 33.362 15.768 12.144 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.396 16.295 9.260 1.00 1.00 H new ATOM 0 HB3 LEU A 41 32.215 15.061 9.649 1.00 1.00 H new ATOM 0 HG LEU A 41 32.437 17.698 11.169 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.447 18.399 9.863 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.838 18.096 8.795 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.535 16.891 8.921 1.00 1.00 H new ATOM 0 HD21 LEU A 41 30.168 17.074 11.960 1.00 1.00 H new ATOM 0 HD22 LEU A 41 30.256 15.566 11.020 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.361 15.825 12.390 1.00 1.00 H new ATOM 620 N GLY A 42 34.795 13.203 11.160 1.00 1.00 N ATOM 621 CA GLY A 42 34.854 11.746 11.198 1.00 1.00 C ATOM 622 C GLY A 42 34.860 11.239 12.636 1.00 1.00 C ATOM 623 O GLY A 42 34.289 10.190 12.936 1.00 1.00 O ATOM 0 H GLY A 42 35.701 13.664 11.070 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.999 11.329 10.665 1.00 1.00 H new ATOM 0 HA3 GLY A 42 35.750 11.401 10.683 1.00 1.00 H new ATOM 627 N THR A 43 35.507 11.990 13.521 1.00 1.00 N ATOM 628 CA THR A 43 35.580 11.605 14.926 1.00 1.00 C ATOM 629 C THR A 43 35.659 12.841 15.817 1.00 1.00 C ATOM 630 O THR A 43 35.154 12.841 16.939 1.00 1.00 O ATOM 631 CB THR A 43 36.808 10.723 15.163 1.00 1.00 C ATOM 632 OG1 THR A 43 37.044 10.609 16.560 1.00 1.00 O ATOM 633 CG2 THR A 43 38.028 11.350 14.487 1.00 1.00 C ATOM 0 H THR A 43 35.985 12.862 13.293 1.00 1.00 H new ATOM 0 HA THR A 43 34.678 11.047 15.178 1.00 1.00 H new ATOM 0 HB THR A 43 36.632 9.733 14.742 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.829 10.043 16.714 1.00 1.00 H new ATOM 0 HG21 THR A 43 38.902 10.721 14.657 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.846 11.437 13.416 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.207 12.340 14.906 1.00 1.00 H new ATOM 641 N THR A 44 36.296 13.890 15.308 1.00 1.00 N ATOM 642 CA THR A 44 36.434 15.128 16.067 1.00 1.00 C ATOM 643 C THR A 44 35.075 15.792 16.264 1.00 1.00 C ATOM 644 O THR A 44 34.732 16.211 17.369 1.00 1.00 O ATOM 645 CB THR A 44 37.372 16.089 15.333 1.00 1.00 C ATOM 646 OG1 THR A 44 38.720 15.722 15.591 1.00 1.00 O ATOM 647 CG2 THR A 44 37.127 17.517 15.821 1.00 1.00 C ATOM 0 H THR A 44 36.722 13.909 14.381 1.00 1.00 H new ATOM 0 HA THR A 44 36.852 14.887 17.044 1.00 1.00 H new ATOM 0 HB THR A 44 37.180 16.037 14.261 1.00 1.00 H new ATOM 0 HG1 THR A 44 39.322 16.336 15.120 1.00 1.00 H new ATOM 0 HG21 THR A 44 37.796 18.200 15.297 1.00 1.00 H new ATOM 0 HG22 THR A 44 36.093 17.797 15.621 1.00 1.00 H new ATOM 0 HG23 THR A 44 37.318 17.573 16.893 1.00 1.00 H new ATOM 655 N GLY A 45 34.305 15.883 15.185 1.00 1.00 N ATOM 656 CA GLY A 45 32.984 16.498 15.251 1.00 1.00 C ATOM 657 C GLY A 45 32.144 15.865 16.353 1.00 1.00 C ATOM 658 O GLY A 45 31.090 16.387 16.721 1.00 1.00 O ATOM 0 H GLY A 45 34.570 15.542 14.261 1.00 1.00 H new ATOM 0 HA2 GLY A 45 33.085 17.568 15.434 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.478 16.385 14.292 1.00 1.00 H new ATOM 662 N ASN A 46 32.616 14.739 16.878 1.00 1.00 N ATOM 663 CA ASN A 46 31.897 14.042 17.939 1.00 1.00 C ATOM 664 C ASN A 46 32.875 13.455 18.951 1.00 1.00 C ATOM 665 O ASN A 46 33.356 12.334 18.785 1.00 1.00 O ATOM 666 CB ASN A 46 31.041 12.923 17.344 1.00 1.00 C ATOM 667 CG ASN A 46 29.573 13.336 17.339 1.00 1.00 C ATOM 668 OD1 ASN A 46 28.710 12.569 17.767 1.00 1.00 O ATOM 669 ND2 ASN A 46 29.237 14.510 16.877 1.00 1.00 N ATOM 0 H ASN A 46 33.486 14.292 16.589 1.00 1.00 H new ATOM 0 HA ASN A 46 31.252 14.759 18.447 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.369 12.704 16.328 1.00 1.00 H new ATOM 0 HB3 ASN A 46 31.168 12.009 17.924 1.00 1.00 H new ATOM 0 HD21 ASN A 46 28.257 14.794 16.870 1.00 1.00 H new ATOM 0 HD22 ASN A 46 29.954 15.143 16.523 1.00 1.00 H new ATOM 676 N GLY A 47 33.165 14.219 19.999 1.00 1.00 N ATOM 677 CA GLY A 47 34.088 13.763 21.033 1.00 1.00 C ATOM 678 C GLY A 47 34.836 14.938 21.652 1.00 1.00 C ATOM 679 O GLY A 47 35.130 14.938 22.847 1.00 1.00 O ATOM 0 H GLY A 47 32.778 15.150 20.155 1.00 1.00 H new ATOM 0 HA2 GLY A 47 33.538 13.229 21.807 1.00 1.00 H new ATOM 0 HA3 GLY A 47 34.801 13.058 20.605 1.00 1.00 H new ATOM 683 N LEU A 48 35.140 15.938 20.832 1.00 1.00 N ATOM 684 CA LEU A 48 35.855 17.116 21.310 1.00 1.00 C ATOM 685 C LEU A 48 34.886 18.267 21.559 1.00 1.00 C ATOM 686 O LEU A 48 35.302 19.398 21.810 1.00 1.00 O ATOM 687 CB LEU A 48 36.906 17.542 20.284 1.00 1.00 C ATOM 688 CG LEU A 48 37.697 16.317 19.823 1.00 1.00 C ATOM 689 CD1 LEU A 48 38.775 16.750 18.827 1.00 1.00 C ATOM 690 CD2 LEU A 48 38.359 15.654 21.032 1.00 1.00 C ATOM 0 H LEU A 48 34.905 15.957 19.840 1.00 1.00 H new ATOM 0 HA LEU A 48 36.348 16.862 22.249 1.00 1.00 H new ATOM 0 HB2 LEU A 48 36.424 18.019 19.431 1.00 1.00 H new ATOM 0 HB3 LEU A 48 37.579 18.279 20.722 1.00 1.00 H new ATOM 0 HG LEU A 48 37.022 15.609 19.343 1.00 1.00 H new ATOM 0 HD11 LEU A 48 39.339 15.877 18.499 1.00 1.00 H new ATOM 0 HD12 LEU A 48 38.305 17.224 17.965 1.00 1.00 H new ATOM 0 HD13 LEU A 48 39.450 17.458 19.307 1.00 1.00 H new ATOM 0 HD21 LEU A 48 38.923 14.781 20.705 1.00 1.00 H new ATOM 0 HD22 LEU A 48 39.034 16.363 21.512 1.00 1.00 H new ATOM 0 HD23 LEU A 48 37.592 15.345 21.743 1.00 1.00 H new ATOM 702 N VAL A 49 33.593 17.971 21.486 1.00 1.00 N ATOM 703 CA VAL A 49 32.573 18.990 21.703 1.00 1.00 C ATOM 704 C VAL A 49 32.037 18.916 23.130 1.00 1.00 C ATOM 705 O VAL A 49 31.505 19.893 23.656 1.00 1.00 O ATOM 706 CB VAL A 49 31.422 18.798 20.714 1.00 1.00 C ATOM 707 CG1 VAL A 49 30.285 19.761 21.060 1.00 1.00 C ATOM 708 CG2 VAL A 49 31.918 19.083 19.296 1.00 1.00 C ATOM 0 H VAL A 49 33.228 17.041 21.280 1.00 1.00 H new ATOM 0 HA VAL A 49 33.026 19.969 21.546 1.00 1.00 H new ATOM 0 HB VAL A 49 31.059 17.772 20.774 1.00 1.00 H new ATOM 0 HG11 VAL A 49 29.465 19.624 20.355 1.00 1.00 H new ATOM 0 HG12 VAL A 49 29.932 19.559 22.071 1.00 1.00 H new ATOM 0 HG13 VAL A 49 30.647 20.787 21.001 1.00 1.00 H new ATOM 0 HG21 VAL A 49 31.099 18.947 18.590 1.00 1.00 H new ATOM 0 HG22 VAL A 49 32.281 20.109 19.237 1.00 1.00 H new ATOM 0 HG23 VAL A 49 32.728 18.397 19.049 1.00 1.00 H new ATOM 718 N LEU A 50 32.182 17.750 23.751 1.00 1.00 N ATOM 719 CA LEU A 50 31.709 17.559 25.118 1.00 1.00 C ATOM 720 C LEU A 50 32.864 17.684 26.106 1.00 1.00 C ATOM 721 O LEU A 50 32.650 17.817 27.311 1.00 1.00 O ATOM 722 CB LEU A 50 31.061 16.181 25.258 1.00 1.00 C ATOM 723 CG LEU A 50 32.106 15.095 24.992 1.00 1.00 C ATOM 724 CD1 LEU A 50 32.440 14.376 26.299 1.00 1.00 C ATOM 725 CD2 LEU A 50 31.546 14.087 23.984 1.00 1.00 C ATOM 0 H LEU A 50 32.620 16.929 23.334 1.00 1.00 H new ATOM 0 HA LEU A 50 30.972 18.331 25.339 1.00 1.00 H new ATOM 0 HB2 LEU A 50 30.645 16.063 26.259 1.00 1.00 H new ATOM 0 HB3 LEU A 50 30.233 16.084 24.556 1.00 1.00 H new ATOM 0 HG LEU A 50 33.010 15.551 24.588 1.00 1.00 H new ATOM 0 HD11 LEU A 50 33.184 13.603 26.109 1.00 1.00 H new ATOM 0 HD12 LEU A 50 32.837 15.093 27.018 1.00 1.00 H new ATOM 0 HD13 LEU A 50 31.537 13.919 26.704 1.00 1.00 H new ATOM 0 HD21 LEU A 50 32.289 13.312 23.793 1.00 1.00 H new ATOM 0 HD22 LEU A 50 30.642 13.631 24.389 1.00 1.00 H new ATOM 0 HD23 LEU A 50 31.308 14.599 23.052 1.00 1.00 H new ATOM 737 N TRP A 51 34.087 17.640 25.589 1.00 1.00 N ATOM 738 CA TRP A 51 35.268 17.750 26.437 1.00 1.00 C ATOM 739 C TRP A 51 35.610 19.214 26.693 1.00 1.00 C ATOM 740 O TRP A 51 35.427 19.720 27.800 1.00 1.00 O ATOM 741 CB TRP A 51 36.456 17.055 25.770 1.00 1.00 C ATOM 742 CG TRP A 51 37.715 17.789 26.106 1.00 1.00 C ATOM 743 CD1 TRP A 51 38.270 17.855 27.338 1.00 1.00 C ATOM 744 CD2 TRP A 51 38.583 18.560 25.225 1.00 1.00 C ATOM 745 NE1 TRP A 51 39.423 18.616 27.269 1.00 1.00 N ATOM 746 CE2 TRP A 51 39.658 19.074 25.987 1.00 1.00 C ATOM 747 CE3 TRP A 51 38.540 18.861 23.851 1.00 1.00 C ATOM 748 CZ2 TRP A 51 40.656 19.858 25.408 1.00 1.00 C ATOM 749 CZ3 TRP A 51 39.544 19.649 23.265 1.00 1.00 C ATOM 750 CH2 TRP A 51 40.599 20.147 24.042 1.00 1.00 C ATOM 0 H TRP A 51 34.286 17.530 24.595 1.00 1.00 H new ATOM 0 HA TRP A 51 35.054 17.267 27.391 1.00 1.00 H new ATOM 0 HB2 TRP A 51 36.523 16.021 26.109 1.00 1.00 H new ATOM 0 HB3 TRP A 51 36.315 17.028 24.689 1.00 1.00 H new ATOM 0 HD1 TRP A 51 37.877 17.390 28.230 1.00 1.00 H new ATOM 0 HE1 TRP A 51 40.026 18.815 28.067 1.00 1.00 H new ATOM 0 HE3 TRP A 51 37.730 18.484 23.244 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 41.467 20.239 26.011 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 39.503 19.873 22.209 1.00 1.00 H new ATOM 0 HH2 TRP A 51 41.367 20.754 23.585 1.00 1.00 H new ATOM 761 N THR A 52 36.109 19.889 25.662 1.00 1.00 N ATOM 762 CA THR A 52 36.474 21.294 25.786 1.00 1.00 C ATOM 763 C THR A 52 35.353 22.083 26.457 1.00 1.00 C ATOM 764 O THR A 52 35.584 23.154 27.016 1.00 1.00 O ATOM 765 CB THR A 52 36.758 21.885 24.403 1.00 1.00 C ATOM 766 OG1 THR A 52 37.422 23.132 24.550 1.00 1.00 O ATOM 767 CG2 THR A 52 35.442 22.090 23.653 1.00 1.00 C ATOM 0 H THR A 52 36.269 19.488 24.738 1.00 1.00 H new ATOM 0 HA THR A 52 37.371 21.363 26.402 1.00 1.00 H new ATOM 0 HB THR A 52 37.391 21.201 23.838 1.00 1.00 H new ATOM 0 HG1 THR A 52 37.606 23.511 23.665 1.00 1.00 H new ATOM 0 HG21 THR A 52 35.646 22.511 22.668 1.00 1.00 H new ATOM 0 HG22 THR A 52 34.935 21.132 23.540 1.00 1.00 H new ATOM 0 HG23 THR A 52 34.806 22.774 24.215 1.00 1.00 H new ATOM 775 N VAL A 53 34.140 21.543 26.397 1.00 1.00 N ATOM 776 CA VAL A 53 32.991 22.206 27.002 1.00 1.00 C ATOM 777 C VAL A 53 32.904 21.875 28.488 1.00 1.00 C ATOM 778 O VAL A 53 32.385 22.661 29.279 1.00 1.00 O ATOM 779 CB VAL A 53 31.704 21.765 26.300 1.00 1.00 C ATOM 780 CG1 VAL A 53 30.506 22.009 27.218 1.00 1.00 C ATOM 781 CG2 VAL A 53 31.528 22.572 25.011 1.00 1.00 C ATOM 0 H VAL A 53 33.928 20.656 25.940 1.00 1.00 H new ATOM 0 HA VAL A 53 33.114 23.283 26.889 1.00 1.00 H new ATOM 0 HB VAL A 53 31.767 20.703 26.064 1.00 1.00 H new ATOM 0 HG11 VAL A 53 29.592 21.694 26.715 1.00 1.00 H new ATOM 0 HG12 VAL A 53 30.630 21.437 28.138 1.00 1.00 H new ATOM 0 HG13 VAL A 53 30.441 23.070 27.457 1.00 1.00 H new ATOM 0 HG21 VAL A 53 30.612 22.260 24.509 1.00 1.00 H new ATOM 0 HG22 VAL A 53 31.467 23.633 25.252 1.00 1.00 H new ATOM 0 HG23 VAL A 53 32.380 22.398 24.354 1.00 1.00 H new ATOM 791 N PHE A 54 33.421 20.711 28.861 1.00 1.00 N ATOM 792 CA PHE A 54 33.399 20.295 30.259 1.00 1.00 C ATOM 793 C PHE A 54 34.356 21.156 31.078 1.00 1.00 C ATOM 794 O PHE A 54 34.631 20.859 32.241 1.00 1.00 O ATOM 795 CB PHE A 54 33.803 18.824 30.375 1.00 1.00 C ATOM 796 CG PHE A 54 33.295 18.265 31.682 1.00 1.00 C ATOM 797 CD1 PHE A 54 31.976 17.807 31.781 1.00 1.00 C ATOM 798 CD2 PHE A 54 34.143 18.205 32.795 1.00 1.00 C ATOM 799 CE1 PHE A 54 31.504 17.288 32.994 1.00 1.00 C ATOM 800 CE2 PHE A 54 33.671 17.687 34.006 1.00 1.00 C ATOM 801 CZ PHE A 54 32.352 17.228 34.106 1.00 1.00 C ATOM 0 H PHE A 54 33.856 20.044 28.224 1.00 1.00 H new ATOM 0 HA PHE A 54 32.387 20.420 30.645 1.00 1.00 H new ATOM 0 HB2 PHE A 54 33.393 18.256 29.540 1.00 1.00 H new ATOM 0 HB3 PHE A 54 34.888 18.728 30.323 1.00 1.00 H new ATOM 0 HD1 PHE A 54 31.322 17.854 30.923 1.00 1.00 H new ATOM 0 HD2 PHE A 54 35.161 18.558 32.719 1.00 1.00 H new ATOM 0 HE1 PHE A 54 30.486 16.934 33.071 1.00 1.00 H new ATOM 0 HE2 PHE A 54 34.325 17.641 34.864 1.00 1.00 H new ATOM 0 HZ PHE A 54 31.989 16.828 35.041 1.00 1.00 H new ATOM 811 N ARG A 55 34.860 22.220 30.460 1.00 1.00 N ATOM 812 CA ARG A 55 35.787 23.118 31.135 1.00 1.00 C ATOM 813 C ARG A 55 35.084 24.405 31.560 1.00 1.00 C ATOM 814 O ARG A 55 35.242 24.861 32.693 1.00 1.00 O ATOM 815 CB ARG A 55 36.954 23.457 30.206 1.00 1.00 C ATOM 816 CG ARG A 55 38.035 22.381 30.331 1.00 1.00 C ATOM 817 CD ARG A 55 37.441 21.016 29.984 1.00 1.00 C ATOM 818 NE ARG A 55 38.500 20.084 29.613 1.00 1.00 N ATOM 819 CZ ARG A 55 39.183 19.415 30.535 1.00 1.00 C ATOM 820 NH1 ARG A 55 38.910 19.585 31.800 1.00 1.00 N ATOM 821 NH2 ARG A 55 40.127 18.589 30.176 1.00 1.00 N ATOM 0 H ARG A 55 34.643 22.479 29.498 1.00 1.00 H new ATOM 0 HA ARG A 55 36.162 22.614 32.026 1.00 1.00 H new ATOM 0 HB2 ARG A 55 36.606 23.520 29.175 1.00 1.00 H new ATOM 0 HB3 ARG A 55 37.366 24.433 30.463 1.00 1.00 H new ATOM 0 HG2 ARG A 55 38.867 22.607 29.664 1.00 1.00 H new ATOM 0 HG3 ARG A 55 38.434 22.368 31.345 1.00 1.00 H new ATOM 0 HD2 ARG A 55 36.886 20.626 30.837 1.00 1.00 H new ATOM 0 HD3 ARG A 55 36.732 21.118 29.162 1.00 1.00 H new ATOM 0 HE ARG A 55 38.720 19.943 28.627 1.00 1.00 H new ATOM 0 HH11 ARG A 55 38.172 20.231 32.080 1.00 1.00 H new ATOM 0 HH12 ARG A 55 39.434 19.071 32.508 1.00 1.00 H new ATOM 0 HH21 ARG A 55 40.340 18.457 29.187 1.00 1.00 H new ATOM 0 HH22 ARG A 55 40.652 18.075 30.884 1.00 1.00 H new ATOM 835 N LYS A 56 34.312 24.990 30.648 1.00 1.00 N ATOM 836 CA LYS A 56 33.603 26.226 30.955 1.00 1.00 C ATOM 837 C LYS A 56 32.464 25.968 31.935 1.00 1.00 C ATOM 838 O LYS A 56 32.010 26.878 32.627 1.00 1.00 O ATOM 839 CB LYS A 56 33.048 26.857 29.680 1.00 1.00 C ATOM 840 CG LYS A 56 31.984 25.943 29.076 1.00 1.00 C ATOM 841 CD LYS A 56 32.227 25.793 27.575 1.00 1.00 C ATOM 842 CE LYS A 56 31.919 27.115 26.868 1.00 1.00 C ATOM 843 NZ LYS A 56 30.522 27.530 27.177 1.00 1.00 N ATOM 0 H LYS A 56 34.163 24.634 29.704 1.00 1.00 H new ATOM 0 HA LYS A 56 34.314 26.914 31.414 1.00 1.00 H new ATOM 0 HB2 LYS A 56 32.619 27.834 29.903 1.00 1.00 H new ATOM 0 HB3 LYS A 56 33.852 27.019 28.963 1.00 1.00 H new ATOM 0 HG2 LYS A 56 32.013 24.966 29.558 1.00 1.00 H new ATOM 0 HG3 LYS A 56 30.991 26.357 29.254 1.00 1.00 H new ATOM 0 HD2 LYS A 56 33.262 25.504 27.391 1.00 1.00 H new ATOM 0 HD3 LYS A 56 31.598 24.999 27.173 1.00 1.00 H new ATOM 0 HE2 LYS A 56 32.619 27.885 27.193 1.00 1.00 H new ATOM 0 HE3 LYS A 56 32.046 27.002 25.791 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 30.160 28.131 26.409 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 29.921 26.686 27.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 30.508 28.064 28.070 1.00 1.00 H new