USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=15 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 :FLIP amide:sc= -0.717 F(o=-4.5!,f=-0.72) 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= -0.308 K(o=-0.31,f=-1.7) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -79:sc= 0.712 USER MOD Single : A 22 THR OG1 : rot -138:sc= 0.0741 USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= -0.115 (180deg=-1.02) USER MOD Single : A 26 SER OG : rot 56:sc= 0.748 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 90:sc= 0.226 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.893 F(o=-4.8!,f=-0.89) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 53.706 -10.243 17.821 1.00 1.00 N ATOM 58 CA GLY A 5 53.804 -11.601 17.301 1.00 1.00 C ATOM 59 C GLY A 5 54.805 -12.422 18.106 1.00 1.00 C ATOM 60 O GLY A 5 55.994 -12.106 18.144 1.00 1.00 O ATOM 0 HA2 GLY A 5 52.825 -12.079 17.335 1.00 1.00 H new ATOM 0 HA3 GLY A 5 54.109 -11.573 16.255 1.00 1.00 H new ATOM 64 N ASP A 6 54.317 -13.477 18.750 1.00 1.00 N ATOM 65 CA ASP A 6 55.178 -14.336 19.553 1.00 1.00 C ATOM 66 C ASP A 6 56.314 -14.900 18.704 1.00 1.00 C ATOM 67 O ASP A 6 57.448 -15.017 19.167 1.00 1.00 O ATOM 68 CB ASP A 6 54.362 -15.486 20.146 1.00 1.00 C ATOM 69 CG ASP A 6 55.234 -16.314 21.086 1.00 1.00 C ATOM 70 OD1 ASP A 6 55.661 -15.774 22.093 1.00 1.00 O ATOM 71 OD2 ASP A 6 55.460 -17.473 20.784 1.00 1.00 O ATOM 0 H ASP A 6 53.336 -13.756 18.732 1.00 1.00 H new ATOM 0 HA ASP A 6 55.604 -13.740 20.360 1.00 1.00 H new ATOM 0 HB2 ASP A 6 53.502 -15.091 20.687 1.00 1.00 H new ATOM 0 HB3 ASP A 6 53.973 -16.117 19.347 1.00 1.00 H new ATOM 76 N PHE A 7 56.000 -15.248 17.461 1.00 1.00 N ATOM 77 CA PHE A 7 57.002 -15.798 16.556 1.00 1.00 C ATOM 78 C PHE A 7 56.654 -15.470 15.108 1.00 1.00 C ATOM 79 O PHE A 7 57.171 -16.092 14.179 1.00 1.00 O ATOM 80 CB PHE A 7 57.087 -17.316 16.731 1.00 1.00 C ATOM 81 CG PHE A 7 55.976 -17.976 15.952 1.00 1.00 C ATOM 82 CD1 PHE A 7 54.657 -17.905 16.416 1.00 1.00 C ATOM 83 CD2 PHE A 7 56.263 -18.660 14.766 1.00 1.00 C ATOM 84 CE1 PHE A 7 53.626 -18.517 15.694 1.00 1.00 C ATOM 85 CE2 PHE A 7 55.233 -19.272 14.042 1.00 1.00 C ATOM 86 CZ PHE A 7 53.914 -19.201 14.507 1.00 1.00 C ATOM 0 H PHE A 7 55.067 -15.160 17.059 1.00 1.00 H new ATOM 0 HA PHE A 7 57.966 -15.350 16.796 1.00 1.00 H new ATOM 0 HB2 PHE A 7 58.054 -17.679 16.384 1.00 1.00 H new ATOM 0 HB3 PHE A 7 57.009 -17.576 17.787 1.00 1.00 H new ATOM 0 HD1 PHE A 7 54.435 -17.378 17.332 1.00 1.00 H new ATOM 0 HD2 PHE A 7 57.281 -18.716 14.408 1.00 1.00 H new ATOM 0 HE1 PHE A 7 52.609 -18.462 16.052 1.00 1.00 H new ATOM 0 HE2 PHE A 7 55.455 -19.798 13.126 1.00 1.00 H new ATOM 0 HZ PHE A 7 53.119 -19.674 13.950 1.00 1.00 H new ATOM 96 N ASP A 8 55.776 -14.491 14.923 1.00 1.00 N ATOM 97 CA ASP A 8 55.366 -14.088 13.582 1.00 1.00 C ATOM 98 C ASP A 8 56.579 -13.702 12.743 1.00 1.00 C ATOM 99 O ASP A 8 57.453 -12.965 13.203 1.00 1.00 O ATOM 100 CB ASP A 8 54.401 -12.904 13.663 1.00 1.00 C ATOM 101 CG ASP A 8 53.195 -13.272 14.521 1.00 1.00 C ATOM 102 OD1 ASP A 8 53.369 -14.035 15.457 1.00 1.00 O ATOM 103 OD2 ASP A 8 52.114 -12.786 14.230 1.00 1.00 O ATOM 0 H ASP A 8 55.337 -13.965 15.678 1.00 1.00 H new ATOM 0 HA ASP A 8 54.865 -14.932 13.108 1.00 1.00 H new ATOM 0 HB2 ASP A 8 54.909 -12.038 14.088 1.00 1.00 H new ATOM 0 HB3 ASP A 8 54.073 -12.622 12.662 1.00 1.00 H new ATOM 108 N ASN A 9 56.628 -14.202 11.514 1.00 1.00 N ATOM 109 CA ASN A 9 57.741 -13.902 10.620 1.00 1.00 C ATOM 110 C ASN A 9 57.493 -12.593 9.878 1.00 1.00 C ATOM 111 O ASN A 9 58.076 -12.347 8.822 1.00 1.00 O ATOM 112 CB ASN A 9 57.921 -15.037 9.611 1.00 1.00 C ATOM 113 CG ASN A 9 56.569 -15.439 9.031 1.00 1.00 C ATOM 114 OD1 ASN A 9 55.638 -14.537 8.885 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 56.356 -16.606 8.702 1.00 1.00 N flip ATOM 0 H ASN A 9 55.915 -14.813 11.115 1.00 1.00 H new ATOM 0 HA ASN A 9 58.647 -13.802 11.218 1.00 1.00 H new ATOM 0 HB2 ASN A 9 58.590 -14.720 8.811 1.00 1.00 H new ATOM 0 HB3 ASN A 9 58.388 -15.895 10.095 1.00 1.00 H new ATOM 0 HD21 ASN A 9 57.085 -17.310 8.817 1.00 1.00 H new ATOM 0 HD22 ASN A 9 55.450 -16.869 8.314 1.00 1.00 H new ATOM 122 N TYR A 10 56.623 -11.757 10.436 1.00 1.00 N ATOM 123 CA TYR A 10 56.306 -10.475 9.817 1.00 1.00 C ATOM 124 C TYR A 10 55.660 -10.684 8.451 1.00 1.00 C ATOM 125 O TYR A 10 54.465 -10.450 8.276 1.00 1.00 O ATOM 126 CB TYR A 10 57.578 -9.641 9.660 1.00 1.00 C ATOM 127 CG TYR A 10 58.429 -9.783 10.900 1.00 1.00 C ATOM 128 CD1 TYR A 10 58.098 -9.076 12.061 1.00 1.00 C ATOM 129 CD2 TYR A 10 59.551 -10.622 10.887 1.00 1.00 C ATOM 130 CE1 TYR A 10 58.887 -9.208 13.211 1.00 1.00 C ATOM 131 CE2 TYR A 10 60.340 -10.754 12.036 1.00 1.00 C ATOM 132 CZ TYR A 10 60.007 -10.046 13.198 1.00 1.00 C ATOM 133 OH TYR A 10 60.785 -10.176 14.331 1.00 1.00 O ATOM 0 H TYR A 10 56.128 -11.942 11.309 1.00 1.00 H new ATOM 0 HA TYR A 10 55.603 -9.947 10.461 1.00 1.00 H new ATOM 0 HB2 TYR A 10 58.136 -9.970 8.783 1.00 1.00 H new ATOM 0 HB3 TYR A 10 57.322 -8.594 9.500 1.00 1.00 H new ATOM 0 HD1 TYR A 10 57.234 -8.428 12.071 1.00 1.00 H new ATOM 0 HD2 TYR A 10 59.807 -11.167 9.991 1.00 1.00 H new ATOM 0 HE1 TYR A 10 58.631 -8.663 14.107 1.00 1.00 H new ATOM 0 HE2 TYR A 10 61.205 -11.401 12.026 1.00 1.00 H new ATOM 0 HH TYR A 10 61.522 -10.797 14.152 1.00 1.00 H new ATOM 143 N TYR A 11 56.459 -11.128 7.486 1.00 1.00 N ATOM 144 CA TYR A 11 55.956 -11.364 6.138 1.00 1.00 C ATOM 145 C TYR A 11 55.172 -10.156 5.638 1.00 1.00 C ATOM 146 O TYR A 11 55.729 -9.265 4.998 1.00 1.00 O ATOM 147 CB TYR A 11 55.053 -12.600 6.129 1.00 1.00 C ATOM 148 CG TYR A 11 54.360 -12.707 4.792 1.00 1.00 C ATOM 149 CD1 TYR A 11 55.076 -13.128 3.664 1.00 1.00 C ATOM 150 CD2 TYR A 11 53.002 -12.386 4.678 1.00 1.00 C ATOM 151 CE1 TYR A 11 54.434 -13.228 2.424 1.00 1.00 C ATOM 152 CE2 TYR A 11 52.360 -12.485 3.439 1.00 1.00 C ATOM 153 CZ TYR A 11 53.077 -12.906 2.311 1.00 1.00 C ATOM 154 OH TYR A 11 52.444 -13.004 1.089 1.00 1.00 O ATOM 0 H TYR A 11 57.451 -11.330 7.611 1.00 1.00 H new ATOM 0 HA TYR A 11 56.806 -11.528 5.476 1.00 1.00 H new ATOM 0 HB2 TYR A 11 55.644 -13.497 6.317 1.00 1.00 H new ATOM 0 HB3 TYR A 11 54.315 -12.531 6.928 1.00 1.00 H new ATOM 0 HD1 TYR A 11 56.124 -13.376 3.751 1.00 1.00 H new ATOM 0 HD2 TYR A 11 52.450 -12.062 5.547 1.00 1.00 H new ATOM 0 HE1 TYR A 11 54.986 -13.554 1.555 1.00 1.00 H new ATOM 0 HE2 TYR A 11 51.312 -12.237 3.352 1.00 1.00 H new ATOM 0 HH TYR A 11 51.504 -12.745 1.186 1.00 1.00 H new ATOM 164 N GLY A 12 53.878 -10.131 5.937 1.00 1.00 N ATOM 165 CA GLY A 12 53.026 -9.025 5.512 1.00 1.00 C ATOM 166 C GLY A 12 53.323 -7.768 6.322 1.00 1.00 C ATOM 167 O GLY A 12 52.410 -7.117 6.832 1.00 1.00 O ATOM 0 H GLY A 12 53.398 -10.858 6.468 1.00 1.00 H new ATOM 0 HA2 GLY A 12 53.184 -8.825 4.452 1.00 1.00 H new ATOM 0 HA3 GLY A 12 51.978 -9.301 5.632 1.00 1.00 H new ATOM 171 N ALA A 13 54.603 -7.432 6.438 1.00 1.00 N ATOM 172 CA ALA A 13 55.007 -6.250 7.190 1.00 1.00 C ATOM 173 C ALA A 13 54.828 -4.991 6.348 1.00 1.00 C ATOM 174 O ALA A 13 53.949 -4.171 6.617 1.00 1.00 O ATOM 175 CB ALA A 13 56.471 -6.376 7.615 1.00 1.00 C ATOM 0 H ALA A 13 55.373 -7.957 6.024 1.00 1.00 H new ATOM 0 HA ALA A 13 54.376 -6.174 8.076 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.765 -5.489 8.176 1.00 1.00 H new ATOM 0 HB2 ALA A 13 56.593 -7.259 8.242 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.100 -6.470 6.730 1.00 1.00 H new ATOM 181 N ASP A 14 55.665 -4.844 5.326 1.00 1.00 N ATOM 182 CA ASP A 14 55.589 -3.681 4.450 1.00 1.00 C ATOM 183 C ASP A 14 54.151 -3.445 3.996 1.00 1.00 C ATOM 184 O ASP A 14 53.807 -2.357 3.533 1.00 1.00 O ATOM 185 CB ASP A 14 56.484 -3.888 3.227 1.00 1.00 C ATOM 186 CG ASP A 14 56.533 -5.367 2.862 1.00 1.00 C ATOM 187 OD1 ASP A 14 55.489 -5.998 2.887 1.00 1.00 O ATOM 188 OD2 ASP A 14 57.614 -5.847 2.561 1.00 1.00 O ATOM 0 H ASP A 14 56.399 -5.511 5.085 1.00 1.00 H new ATOM 0 HA ASP A 14 55.931 -2.808 5.006 1.00 1.00 H new ATOM 0 HB2 ASP A 14 56.103 -3.310 2.385 1.00 1.00 H new ATOM 0 HB3 ASP A 14 57.490 -3.523 3.436 1.00 1.00 H new ATOM 193 N ASN A 15 53.317 -4.471 4.131 1.00 1.00 N ATOM 194 CA ASN A 15 51.920 -4.364 3.731 1.00 1.00 C ATOM 195 C ASN A 15 51.213 -3.277 4.537 1.00 1.00 C ATOM 196 O ASN A 15 50.364 -2.556 4.013 1.00 1.00 O ATOM 197 CB ASN A 15 51.211 -5.702 3.947 1.00 1.00 C ATOM 198 CG ASN A 15 49.800 -5.644 3.371 1.00 1.00 C ATOM 199 OD1 ASN A 15 48.936 -4.950 3.908 1.00 1.00 O ATOM 200 ND2 ASN A 15 49.512 -6.334 2.302 1.00 1.00 N ATOM 0 H ASN A 15 53.582 -5.379 4.512 1.00 1.00 H new ATOM 0 HA ASN A 15 51.884 -4.099 2.674 1.00 1.00 H new ATOM 0 HB2 ASN A 15 51.775 -6.503 3.469 1.00 1.00 H new ATOM 0 HB3 ASN A 15 51.169 -5.933 5.011 1.00 1.00 H new ATOM 0 HD21 ASN A 15 48.571 -6.299 1.911 1.00 1.00 H new ATOM 0 HD22 ASN A 15 50.228 -6.909 1.858 1.00 1.00 H new ATOM 207 N GLN A 16 51.571 -3.165 5.811 1.00 1.00 N ATOM 208 CA GLN A 16 50.965 -2.163 6.679 1.00 1.00 C ATOM 209 C GLN A 16 51.897 -0.967 6.849 1.00 1.00 C ATOM 210 O GLN A 16 52.045 -0.434 7.949 1.00 1.00 O ATOM 211 CB GLN A 16 50.661 -2.772 8.049 1.00 1.00 C ATOM 212 CG GLN A 16 50.039 -4.158 7.865 1.00 1.00 C ATOM 213 CD GLN A 16 48.991 -4.408 8.943 1.00 1.00 C ATOM 214 OE1 GLN A 16 49.334 -4.656 10.098 1.00 1.00 O ATOM 215 NE2 GLN A 16 47.724 -4.356 8.633 1.00 1.00 N ATOM 0 H GLN A 16 52.273 -3.751 6.263 1.00 1.00 H new ATOM 0 HA GLN A 16 50.037 -1.825 6.218 1.00 1.00 H new ATOM 0 HB2 GLN A 16 51.576 -2.847 8.636 1.00 1.00 H new ATOM 0 HB3 GLN A 16 49.979 -2.126 8.603 1.00 1.00 H new ATOM 0 HG2 GLN A 16 49.582 -4.232 6.878 1.00 1.00 H new ATOM 0 HG3 GLN A 16 50.814 -4.923 7.916 1.00 1.00 H new ATOM 0 HE21 GLN A 16 47.441 -4.150 7.675 1.00 1.00 H new ATOM 0 HE22 GLN A 16 47.017 -4.521 9.349 1.00 1.00 H new ATOM 224 N SER A 17 52.522 -0.550 5.753 1.00 1.00 N ATOM 225 CA SER A 17 53.438 0.584 5.792 1.00 1.00 C ATOM 226 C SER A 17 53.342 1.395 4.504 1.00 1.00 C ATOM 227 O SER A 17 53.453 0.849 3.406 1.00 1.00 O ATOM 228 CB SER A 17 54.873 0.090 5.981 1.00 1.00 C ATOM 229 OG SER A 17 55.757 1.204 5.975 1.00 1.00 O ATOM 0 H SER A 17 52.412 -0.977 4.833 1.00 1.00 H new ATOM 0 HA SER A 17 53.161 1.222 6.631 1.00 1.00 H new ATOM 0 HB2 SER A 17 54.962 -0.454 6.921 1.00 1.00 H new ATOM 0 HB3 SER A 17 55.139 -0.604 5.184 1.00 1.00 H new ATOM 0 HG SER A 17 56.678 0.892 6.098 1.00 1.00 H new ATOM 235 N GLU A 18 53.135 2.700 4.646 1.00 1.00 N ATOM 236 CA GLU A 18 53.024 3.577 3.485 1.00 1.00 C ATOM 237 C GLU A 18 54.092 3.233 2.451 1.00 1.00 C ATOM 238 O GLU A 18 55.234 3.682 2.551 1.00 1.00 O ATOM 239 CB GLU A 18 53.181 5.036 3.917 1.00 1.00 C ATOM 240 CG GLU A 18 52.224 5.333 5.073 1.00 1.00 C ATOM 241 CD GLU A 18 51.641 6.733 4.921 1.00 1.00 C ATOM 242 OE1 GLU A 18 52.312 7.574 4.347 1.00 1.00 O ATOM 243 OE2 GLU A 18 50.531 6.944 5.382 1.00 1.00 O ATOM 0 H GLU A 18 53.041 3.171 5.546 1.00 1.00 H new ATOM 0 HA GLU A 18 52.041 3.434 3.037 1.00 1.00 H new ATOM 0 HB2 GLU A 18 54.209 5.226 4.224 1.00 1.00 H new ATOM 0 HB3 GLU A 18 52.971 5.699 3.078 1.00 1.00 H new ATOM 0 HG2 GLU A 18 51.421 4.596 5.090 1.00 1.00 H new ATOM 0 HG3 GLU A 18 52.752 5.251 6.023 1.00 1.00 H new ATOM 250 N CYS A 19 53.712 2.434 1.459 1.00 1.00 N ATOM 251 CA CYS A 19 54.645 2.036 0.412 1.00 1.00 C ATOM 252 C CYS A 19 54.524 2.963 -0.794 1.00 1.00 C ATOM 253 O CYS A 19 55.512 3.540 -1.248 1.00 1.00 O ATOM 254 CB CYS A 19 54.364 0.596 -0.018 1.00 1.00 C ATOM 255 SG CYS A 19 55.878 -0.142 -0.683 1.00 1.00 S ATOM 0 H CYS A 19 52.772 2.052 1.359 1.00 1.00 H new ATOM 0 HA CYS A 19 55.658 2.105 0.808 1.00 1.00 H new ATOM 0 HB2 CYS A 19 54.006 0.015 0.832 1.00 1.00 H new ATOM 0 HB3 CYS A 19 53.576 0.577 -0.771 1.00 1.00 H new ATOM 0 HG CYS A 19 55.640 -1.367 -1.047 1.00 1.00 H new ATOM 261 N GLU A 20 53.306 3.101 -1.308 1.00 1.00 N ATOM 262 CA GLU A 20 53.068 3.960 -2.461 1.00 1.00 C ATOM 263 C GLU A 20 51.575 4.044 -2.767 1.00 1.00 C ATOM 264 O GLU A 20 51.178 4.255 -3.913 1.00 1.00 O ATOM 265 CB GLU A 20 53.811 3.414 -3.681 1.00 1.00 C ATOM 266 CG GLU A 20 53.642 1.894 -3.745 1.00 1.00 C ATOM 267 CD GLU A 20 53.829 1.409 -5.178 1.00 1.00 C ATOM 268 OE1 GLU A 20 54.913 1.589 -5.708 1.00 1.00 O ATOM 269 OE2 GLU A 20 52.884 0.863 -5.726 1.00 1.00 O ATOM 0 H GLU A 20 52.475 2.633 -0.947 1.00 1.00 H new ATOM 0 HA GLU A 20 53.437 4.959 -2.229 1.00 1.00 H new ATOM 0 HB2 GLU A 20 53.423 3.872 -4.591 1.00 1.00 H new ATOM 0 HB3 GLU A 20 54.869 3.671 -3.621 1.00 1.00 H new ATOM 0 HG2 GLU A 20 54.368 1.411 -3.091 1.00 1.00 H new ATOM 0 HG3 GLU A 20 52.652 1.614 -3.384 1.00 1.00 H new ATOM 276 N TYR A 21 50.755 3.877 -1.735 1.00 1.00 N ATOM 277 CA TYR A 21 49.307 3.936 -1.904 1.00 1.00 C ATOM 278 C TYR A 21 48.666 4.724 -0.766 1.00 1.00 C ATOM 279 O TYR A 21 47.721 4.258 -0.131 1.00 1.00 O ATOM 280 CB TYR A 21 48.728 2.521 -1.936 1.00 1.00 C ATOM 281 CG TYR A 21 49.068 1.807 -0.649 1.00 1.00 C ATOM 282 CD1 TYR A 21 50.363 1.323 -0.439 1.00 1.00 C ATOM 283 CD2 TYR A 21 48.086 1.631 0.332 1.00 1.00 C ATOM 284 CE1 TYR A 21 50.679 0.662 0.754 1.00 1.00 C ATOM 285 CE2 TYR A 21 48.401 0.970 1.526 1.00 1.00 C ATOM 286 CZ TYR A 21 49.697 0.486 1.737 1.00 1.00 C ATOM 287 OH TYR A 21 50.008 -0.165 2.913 1.00 1.00 O ATOM 0 H TYR A 21 51.065 3.701 -0.779 1.00 1.00 H new ATOM 0 HA TYR A 21 49.090 4.439 -2.846 1.00 1.00 H new ATOM 0 HB2 TYR A 21 47.647 2.562 -2.066 1.00 1.00 H new ATOM 0 HB3 TYR A 21 49.131 1.971 -2.787 1.00 1.00 H new ATOM 0 HD1 TYR A 21 51.120 1.459 -1.197 1.00 1.00 H new ATOM 0 HD2 TYR A 21 47.086 2.005 0.169 1.00 1.00 H new ATOM 0 HE1 TYR A 21 51.679 0.288 0.916 1.00 1.00 H new ATOM 0 HE2 TYR A 21 47.644 0.834 2.284 1.00 1.00 H new ATOM 0 HH TYR A 21 50.006 -1.133 2.761 1.00 1.00 H new ATOM 297 N THR A 22 49.189 5.921 -0.514 1.00 1.00 N ATOM 298 CA THR A 22 48.659 6.765 0.551 1.00 1.00 C ATOM 299 C THR A 22 49.325 8.137 0.527 1.00 1.00 C ATOM 300 O THR A 22 48.698 9.148 0.844 1.00 1.00 O ATOM 301 CB THR A 22 48.897 6.103 1.910 1.00 1.00 C ATOM 302 OG1 THR A 22 48.415 6.956 2.939 1.00 1.00 O ATOM 303 CG2 THR A 22 50.393 5.857 2.106 1.00 1.00 C ATOM 0 H THR A 22 49.972 6.325 -1.028 1.00 1.00 H new ATOM 0 HA THR A 22 47.588 6.890 0.392 1.00 1.00 H new ATOM 0 HB THR A 22 48.369 5.150 1.949 1.00 1.00 H new ATOM 0 HG1 THR A 22 49.049 6.958 3.686 1.00 1.00 H new ATOM 0 HG21 THR A 22 50.560 5.386 3.074 1.00 1.00 H new ATOM 0 HG22 THR A 22 50.761 5.203 1.315 1.00 1.00 H new ATOM 0 HG23 THR A 22 50.926 6.807 2.068 1.00 1.00 H new ATOM 311 N ASP A 23 50.600 8.163 0.150 1.00 1.00 N ATOM 312 CA ASP A 23 51.342 9.418 0.089 1.00 1.00 C ATOM 313 C ASP A 23 50.717 10.361 -0.934 1.00 1.00 C ATOM 314 O ASP A 23 51.137 11.511 -1.069 1.00 1.00 O ATOM 315 CB ASP A 23 52.798 9.144 -0.288 1.00 1.00 C ATOM 316 CG ASP A 23 53.679 9.197 0.956 1.00 1.00 C ATOM 317 OD1 ASP A 23 53.784 10.264 1.538 1.00 1.00 O ATOM 318 OD2 ASP A 23 54.236 8.170 1.307 1.00 1.00 O ATOM 0 H ASP A 23 51.137 7.337 -0.116 1.00 1.00 H new ATOM 0 HA ASP A 23 51.304 9.890 1.071 1.00 1.00 H new ATOM 0 HB2 ASP A 23 52.882 8.166 -0.761 1.00 1.00 H new ATOM 0 HB3 ASP A 23 53.138 9.880 -1.016 1.00 1.00 H new ATOM 323 N TRP A 24 49.714 9.869 -1.652 1.00 1.00 N ATOM 324 CA TRP A 24 49.040 10.678 -2.661 1.00 1.00 C ATOM 325 C TRP A 24 47.536 10.424 -2.637 1.00 1.00 C ATOM 326 O TRP A 24 46.759 11.281 -2.218 1.00 1.00 O ATOM 327 CB TRP A 24 49.593 10.349 -4.049 1.00 1.00 C ATOM 328 CG TRP A 24 49.708 8.867 -4.201 1.00 1.00 C ATOM 329 CD1 TRP A 24 50.595 8.085 -3.544 1.00 1.00 C ATOM 330 CD2 TRP A 24 48.929 7.977 -5.052 1.00 1.00 C ATOM 331 NE1 TRP A 24 50.409 6.772 -3.936 1.00 1.00 N ATOM 332 CE2 TRP A 24 49.394 6.654 -4.864 1.00 1.00 C ATOM 333 CE3 TRP A 24 47.875 8.186 -5.959 1.00 1.00 C ATOM 334 CZ2 TRP A 24 48.832 5.577 -5.552 1.00 1.00 C ATOM 335 CZ3 TRP A 24 47.307 7.105 -6.653 1.00 1.00 C ATOM 336 CH2 TRP A 24 47.786 5.803 -6.449 1.00 1.00 C ATOM 0 H TRP A 24 49.351 8.921 -1.556 1.00 1.00 H new ATOM 0 HA TRP A 24 49.222 11.729 -2.437 1.00 1.00 H new ATOM 0 HB2 TRP A 24 48.937 10.754 -4.819 1.00 1.00 H new ATOM 0 HB3 TRP A 24 50.569 10.816 -4.184 1.00 1.00 H new ATOM 0 HD1 TRP A 24 51.328 8.430 -2.830 1.00 1.00 H new ATOM 0 HE1 TRP A 24 50.955 5.986 -3.582 1.00 1.00 H new ATOM 0 HE3 TRP A 24 47.499 9.185 -6.123 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 49.204 4.576 -5.392 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 46.498 7.277 -7.347 1.00 1.00 H new ATOM 0 HH2 TRP A 24 47.346 4.975 -6.985 1.00 1.00 H new ATOM 347 N LYS A 25 47.134 9.240 -3.087 1.00 1.00 N ATOM 348 CA LYS A 25 45.721 8.882 -3.114 1.00 1.00 C ATOM 349 C LYS A 25 44.898 9.995 -3.757 1.00 1.00 C ATOM 350 O LYS A 25 44.586 10.999 -3.116 1.00 1.00 O ATOM 351 CB LYS A 25 45.221 8.630 -1.688 1.00 1.00 C ATOM 352 CG LYS A 25 44.664 7.208 -1.580 1.00 1.00 C ATOM 353 CD LYS A 25 45.801 6.197 -1.745 1.00 1.00 C ATOM 354 CE LYS A 25 45.418 5.165 -2.807 1.00 1.00 C ATOM 355 NZ LYS A 25 44.089 4.580 -2.476 1.00 1.00 N ATOM 0 H LYS A 25 47.762 8.516 -3.436 1.00 1.00 H new ATOM 0 HA LYS A 25 45.605 7.974 -3.706 1.00 1.00 H new ATOM 0 HB2 LYS A 25 46.036 8.767 -0.977 1.00 1.00 H new ATOM 0 HB3 LYS A 25 44.448 9.354 -1.430 1.00 1.00 H new ATOM 0 HG2 LYS A 25 44.178 7.069 -0.614 1.00 1.00 H new ATOM 0 HG3 LYS A 25 43.905 7.045 -2.345 1.00 1.00 H new ATOM 0 HD2 LYS A 25 46.718 6.710 -2.035 1.00 1.00 H new ATOM 0 HD3 LYS A 25 46.000 5.700 -0.796 1.00 1.00 H new ATOM 0 HE2 LYS A 25 45.386 5.634 -3.790 1.00 1.00 H new ATOM 0 HE3 LYS A 25 46.172 4.379 -2.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 44.066 3.582 -2.769 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 43.927 4.644 -1.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 43.344 5.105 -2.977 1.00 1.00 H new ATOM 369 N SER A 26 44.549 9.808 -5.025 1.00 1.00 N ATOM 370 CA SER A 26 43.761 10.802 -5.745 1.00 1.00 C ATOM 371 C SER A 26 42.925 10.137 -6.834 1.00 1.00 C ATOM 372 O SER A 26 43.299 10.144 -8.007 1.00 1.00 O ATOM 373 CB SER A 26 44.685 11.845 -6.374 1.00 1.00 C ATOM 374 OG SER A 26 45.618 11.192 -7.226 1.00 1.00 O ATOM 0 H SER A 26 44.797 8.984 -5.572 1.00 1.00 H new ATOM 0 HA SER A 26 43.092 11.290 -5.036 1.00 1.00 H new ATOM 0 HB2 SER A 26 44.101 12.570 -6.942 1.00 1.00 H new ATOM 0 HB3 SER A 26 45.211 12.399 -5.596 1.00 1.00 H new ATOM 0 HG SER A 26 45.135 10.661 -7.893 1.00 1.00 H new ATOM 380 N SER A 27 41.794 9.564 -6.438 1.00 1.00 N ATOM 381 CA SER A 27 40.913 8.897 -7.388 1.00 1.00 C ATOM 382 C SER A 27 40.095 9.922 -8.169 1.00 1.00 C ATOM 383 O SER A 27 38.884 9.769 -8.332 1.00 1.00 O ATOM 384 CB SER A 27 39.971 7.946 -6.650 1.00 1.00 C ATOM 385 OG SER A 27 39.544 6.923 -7.541 1.00 1.00 O ATOM 0 H SER A 27 41.467 9.548 -5.472 1.00 1.00 H new ATOM 0 HA SER A 27 41.527 8.328 -8.087 1.00 1.00 H new ATOM 0 HB2 SER A 27 40.478 7.507 -5.791 1.00 1.00 H new ATOM 0 HB3 SER A 27 39.110 8.493 -6.267 1.00 1.00 H new ATOM 0 HG SER A 27 38.941 6.310 -7.071 1.00 1.00 H new ATOM 391 N GLY A 28 40.764 10.965 -8.648 1.00 1.00 N ATOM 392 CA GLY A 28 40.088 12.009 -9.410 1.00 1.00 C ATOM 393 C GLY A 28 40.595 13.390 -9.011 1.00 1.00 C ATOM 394 O GLY A 28 40.222 14.397 -9.613 1.00 1.00 O ATOM 0 H GLY A 28 41.766 11.110 -8.524 1.00 1.00 H new ATOM 0 HA2 GLY A 28 40.253 11.851 -10.476 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.013 11.949 -9.241 1.00 1.00 H new ATOM 398 N ALA A 29 41.448 13.430 -7.993 1.00 1.00 N ATOM 399 CA ALA A 29 42.002 14.694 -7.522 1.00 1.00 C ATOM 400 C ALA A 29 40.921 15.534 -6.849 1.00 1.00 C ATOM 401 O ALA A 29 40.751 16.712 -7.165 1.00 1.00 O ATOM 402 CB ALA A 29 42.601 15.472 -8.695 1.00 1.00 C ATOM 0 H ALA A 29 41.769 12.608 -7.481 1.00 1.00 H new ATOM 0 HA ALA A 29 42.784 14.478 -6.794 1.00 1.00 H new ATOM 0 HB1 ALA A 29 43.012 16.415 -8.334 1.00 1.00 H new ATOM 0 HB2 ALA A 29 43.394 14.883 -9.156 1.00 1.00 H new ATOM 0 HB3 ALA A 29 41.824 15.674 -9.432 1.00 1.00 H new ATOM 408 N LEU A 30 40.195 14.922 -5.920 1.00 1.00 N ATOM 409 CA LEU A 30 39.132 15.624 -5.209 1.00 1.00 C ATOM 410 C LEU A 30 38.933 15.027 -3.820 1.00 1.00 C ATOM 411 O LEU A 30 37.878 15.194 -3.207 1.00 1.00 O ATOM 412 CB LEU A 30 37.825 15.532 -5.998 1.00 1.00 C ATOM 413 CG LEU A 30 37.483 14.063 -6.251 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.192 13.705 -5.513 1.00 1.00 C ATOM 415 CD2 LEU A 30 37.291 13.837 -7.753 1.00 1.00 C ATOM 0 H LEU A 30 40.321 13.949 -5.643 1.00 1.00 H new ATOM 0 HA LEU A 30 39.420 16.670 -5.105 1.00 1.00 H new ATOM 0 HB2 LEU A 30 37.019 16.014 -5.444 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.922 16.062 -6.945 1.00 1.00 H new ATOM 0 HG LEU A 30 38.295 13.433 -5.888 1.00 1.00 H new ATOM 0 HD11 LEU A 30 35.948 12.658 -5.693 1.00 1.00 H new ATOM 0 HD12 LEU A 30 36.327 13.867 -4.444 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.379 14.334 -5.875 1.00 1.00 H new ATOM 0 HD21 LEU A 30 37.047 12.790 -7.935 1.00 1.00 H new ATOM 0 HD22 LEU A 30 36.479 14.467 -8.115 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.210 14.092 -8.280 1.00 1.00 H new ATOM 427 N ILE A 31 39.952 14.330 -3.328 1.00 1.00 N ATOM 428 CA ILE A 31 39.878 13.712 -2.009 1.00 1.00 C ATOM 429 C ILE A 31 40.160 14.728 -0.897 1.00 1.00 C ATOM 430 O ILE A 31 39.562 14.652 0.176 1.00 1.00 O ATOM 431 CB ILE A 31 40.870 12.549 -1.906 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.997 11.847 -3.268 1.00 1.00 C ATOM 433 CG2 ILE A 31 40.377 11.548 -0.859 1.00 1.00 C ATOM 434 CD1 ILE A 31 39.623 11.369 -3.752 1.00 1.00 C ATOM 0 H ILE A 31 40.833 14.179 -3.819 1.00 1.00 H new ATOM 0 HA ILE A 31 38.863 13.335 -1.881 1.00 1.00 H new ATOM 0 HB ILE A 31 41.845 12.936 -1.610 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.429 12.531 -3.998 1.00 1.00 H new ATOM 0 HG13 ILE A 31 41.676 10.998 -3.185 1.00 1.00 H new ATOM 0 HG21 ILE A 31 41.083 10.721 -0.786 1.00 1.00 H new ATOM 0 HG22 ILE A 31 40.297 12.043 0.109 1.00 1.00 H new ATOM 0 HG23 ILE A 31 39.399 11.166 -1.153 1.00 1.00 H new ATOM 0 HD11 ILE A 31 39.729 10.874 -4.717 1.00 1.00 H new ATOM 0 HD12 ILE A 31 39.206 10.668 -3.029 1.00 1.00 H new ATOM 0 HD13 ILE A 31 38.955 12.225 -3.854 1.00 1.00 H new ATOM 446 N PRO A 32 41.053 15.669 -1.116 1.00 1.00 N ATOM 447 CA PRO A 32 41.394 16.696 -0.086 1.00 1.00 C ATOM 448 C PRO A 32 40.178 17.525 0.319 1.00 1.00 C ATOM 449 O PRO A 32 40.179 18.177 1.363 1.00 1.00 O ATOM 450 CB PRO A 32 42.451 17.577 -0.763 1.00 1.00 C ATOM 451 CG PRO A 32 42.969 16.779 -1.912 1.00 1.00 C ATOM 452 CD PRO A 32 41.830 15.865 -2.351 1.00 1.00 C ATOM 0 HA PRO A 32 41.752 16.238 0.836 1.00 1.00 H new ATOM 0 HB2 PRO A 32 42.017 18.517 -1.104 1.00 1.00 H new ATOM 0 HB3 PRO A 32 43.253 17.829 -0.069 1.00 1.00 H new ATOM 0 HG2 PRO A 32 43.280 17.431 -2.728 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.842 16.197 -1.618 1.00 1.00 H new ATOM 0 HD2 PRO A 32 41.228 16.322 -3.136 1.00 1.00 H new ATOM 0 HD3 PRO A 32 42.203 14.920 -2.745 1.00 1.00 H new ATOM 460 N ALA A 33 39.143 17.494 -0.513 1.00 1.00 N ATOM 461 CA ALA A 33 37.925 18.247 -0.232 1.00 1.00 C ATOM 462 C ALA A 33 36.954 17.406 0.592 1.00 1.00 C ATOM 463 O ALA A 33 36.559 17.796 1.691 1.00 1.00 O ATOM 464 CB ALA A 33 37.256 18.666 -1.541 1.00 1.00 C ATOM 0 H ALA A 33 39.122 16.960 -1.382 1.00 1.00 H new ATOM 0 HA ALA A 33 38.193 19.136 0.339 1.00 1.00 H new ATOM 0 HB1 ALA A 33 36.348 19.227 -1.322 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.940 19.291 -2.115 1.00 1.00 H new ATOM 0 HB3 ALA A 33 37.003 17.778 -2.121 1.00 1.00 H new ATOM 470 N ILE A 34 36.574 16.252 0.052 1.00 1.00 N ATOM 471 CA ILE A 34 35.649 15.365 0.747 1.00 1.00 C ATOM 472 C ILE A 34 36.126 15.100 2.171 1.00 1.00 C ATOM 473 O ILE A 34 35.320 14.881 3.075 1.00 1.00 O ATOM 474 CB ILE A 34 35.530 14.040 -0.009 1.00 1.00 C ATOM 475 CG1 ILE A 34 34.865 14.285 -1.365 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.682 13.062 0.804 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.002 13.034 -2.234 1.00 1.00 C ATOM 0 H ILE A 34 36.889 15.912 -0.856 1.00 1.00 H new ATOM 0 HA ILE A 34 34.673 15.849 0.789 1.00 1.00 H new ATOM 0 HB ILE A 34 36.524 13.619 -0.161 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.812 14.531 -1.226 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.329 15.138 -1.861 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.598 12.118 0.265 1.00 1.00 H new ATOM 0 HG22 ILE A 34 35.155 12.887 1.770 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.688 13.482 0.957 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.528 13.208 -3.200 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.058 12.808 -2.383 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.518 12.192 -1.739 1.00 1.00 H new ATOM 489 N TYR A 35 37.440 15.121 2.363 1.00 1.00 N ATOM 490 CA TYR A 35 38.013 14.881 3.682 1.00 1.00 C ATOM 491 C TYR A 35 37.931 16.140 4.539 1.00 1.00 C ATOM 492 O TYR A 35 37.809 16.063 5.762 1.00 1.00 O ATOM 493 CB TYR A 35 39.475 14.449 3.546 1.00 1.00 C ATOM 494 CG TYR A 35 39.965 13.904 4.866 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.559 12.633 5.293 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.824 14.669 5.664 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.012 12.129 6.518 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.277 14.165 6.889 1.00 1.00 C ATOM 499 CZ TYR A 35 40.872 12.894 7.316 1.00 1.00 C ATOM 500 OH TYR A 35 41.318 12.397 8.523 1.00 1.00 O ATOM 0 H TYR A 35 38.124 15.300 1.628 1.00 1.00 H new ATOM 0 HA TYR A 35 37.443 14.088 4.166 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.570 13.690 2.769 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.089 15.296 3.240 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.897 12.042 4.677 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.137 15.649 5.334 1.00 1.00 H new ATOM 0 HE1 TYR A 35 39.698 11.150 6.848 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.939 14.756 7.505 1.00 1.00 H new ATOM 0 HH TYR A 35 41.907 13.054 8.950 1.00 1.00 H new ATOM 510 N MET A 36 37.998 17.298 3.889 1.00 1.00 N ATOM 511 CA MET A 36 37.930 18.568 4.603 1.00 1.00 C ATOM 512 C MET A 36 36.561 18.743 5.255 1.00 1.00 C ATOM 513 O MET A 36 36.449 19.315 6.339 1.00 1.00 O ATOM 514 CB MET A 36 38.188 19.724 3.635 1.00 1.00 C ATOM 515 CG MET A 36 37.963 21.054 4.358 1.00 1.00 C ATOM 516 SD MET A 36 39.130 22.286 3.730 1.00 1.00 S ATOM 517 CE MET A 36 40.521 21.850 4.800 1.00 1.00 C ATOM 0 H MET A 36 38.098 17.383 2.878 1.00 1.00 H new ATOM 0 HA MET A 36 38.693 18.568 5.381 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.208 19.673 3.254 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.522 19.648 2.775 1.00 1.00 H new ATOM 0 HG2 MET A 36 36.939 21.395 4.204 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.098 20.924 5.432 1.00 1.00 H new ATOM 0 HE1 MET A 36 41.368 22.499 4.578 1.00 1.00 H new ATOM 0 HE2 MET A 36 40.231 21.976 5.843 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.804 20.812 4.624 1.00 1.00 H new ATOM 527 N LEU A 37 35.525 18.247 4.586 1.00 1.00 N ATOM 528 CA LEU A 37 34.169 18.354 5.111 1.00 1.00 C ATOM 529 C LEU A 37 33.911 17.272 6.154 1.00 1.00 C ATOM 530 O LEU A 37 32.966 17.366 6.940 1.00 1.00 O ATOM 531 CB LEU A 37 33.156 18.220 3.972 1.00 1.00 C ATOM 532 CG LEU A 37 33.565 19.133 2.815 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.535 19.023 1.690 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.630 20.580 3.307 1.00 1.00 C ATOM 0 H LEU A 37 35.597 17.771 3.687 1.00 1.00 H new ATOM 0 HA LEU A 37 34.058 19.330 5.583 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.109 17.185 3.633 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.159 18.486 4.324 1.00 1.00 H new ATOM 0 HG LEU A 37 34.544 18.831 2.442 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.826 19.674 0.865 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.488 17.992 1.340 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.556 19.325 2.062 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.921 21.232 2.483 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.651 20.882 3.680 1.00 1.00 H new ATOM 0 HD23 LEU A 37 34.364 20.659 4.109 1.00 1.00 H new ATOM 546 N VAL A 38 34.755 16.245 6.158 1.00 1.00 N ATOM 547 CA VAL A 38 34.607 15.151 7.110 1.00 1.00 C ATOM 548 C VAL A 38 35.449 15.408 8.355 1.00 1.00 C ATOM 549 O VAL A 38 35.364 14.670 9.337 1.00 1.00 O ATOM 550 CB VAL A 38 35.039 13.835 6.462 1.00 1.00 C ATOM 551 CG1 VAL A 38 34.916 12.700 7.481 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.140 13.539 5.261 1.00 1.00 C ATOM 0 H VAL A 38 35.543 16.148 5.518 1.00 1.00 H new ATOM 0 HA VAL A 38 33.559 15.086 7.401 1.00 1.00 H new ATOM 0 HB VAL A 38 36.074 13.916 6.131 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.224 11.762 7.019 1.00 1.00 H new ATOM 0 HG12 VAL A 38 35.556 12.910 8.338 1.00 1.00 H new ATOM 0 HG13 VAL A 38 33.881 12.619 7.812 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.448 12.601 4.799 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.105 13.458 5.593 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.226 14.347 4.534 1.00 1.00 H new ATOM 562 N PHE A 39 36.261 16.459 8.309 1.00 1.00 N ATOM 563 CA PHE A 39 37.113 16.804 9.440 1.00 1.00 C ATOM 564 C PHE A 39 36.268 17.234 10.635 1.00 1.00 C ATOM 565 O PHE A 39 36.645 17.011 11.785 1.00 1.00 O ATOM 566 CB PHE A 39 38.065 17.935 9.051 1.00 1.00 C ATOM 567 CG PHE A 39 38.829 18.393 10.271 1.00 1.00 C ATOM 568 CD1 PHE A 39 39.886 17.620 10.767 1.00 1.00 C ATOM 569 CD2 PHE A 39 38.481 19.592 10.905 1.00 1.00 C ATOM 570 CE1 PHE A 39 40.593 18.045 11.897 1.00 1.00 C ATOM 571 CE2 PHE A 39 39.188 20.017 12.036 1.00 1.00 C ATOM 572 CZ PHE A 39 40.245 19.243 12.532 1.00 1.00 C ATOM 0 H PHE A 39 36.347 17.083 7.506 1.00 1.00 H new ATOM 0 HA PHE A 39 37.692 15.923 9.717 1.00 1.00 H new ATOM 0 HB2 PHE A 39 38.758 17.593 8.282 1.00 1.00 H new ATOM 0 HB3 PHE A 39 37.504 18.767 8.627 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.155 16.696 10.277 1.00 1.00 H new ATOM 0 HD2 PHE A 39 37.667 20.189 10.521 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.408 17.448 12.280 1.00 1.00 H new ATOM 0 HE2 PHE A 39 38.919 20.941 12.526 1.00 1.00 H new ATOM 0 HZ PHE A 39 40.791 19.570 13.404 1.00 1.00 H new ATOM 582 N LEU A 40 35.126 17.852 10.352 1.00 1.00 N ATOM 583 CA LEU A 40 34.232 18.312 11.408 1.00 1.00 C ATOM 584 C LEU A 40 33.018 17.394 11.520 1.00 1.00 C ATOM 585 O LEU A 40 32.193 17.549 12.420 1.00 1.00 O ATOM 586 CB LEU A 40 33.767 19.740 11.113 1.00 1.00 C ATOM 587 CG LEU A 40 33.169 19.802 9.708 1.00 1.00 C ATOM 588 CD1 LEU A 40 31.798 20.479 9.766 1.00 1.00 C ATOM 589 CD2 LEU A 40 34.096 20.610 8.795 1.00 1.00 C ATOM 0 H LEU A 40 34.799 18.045 9.405 1.00 1.00 H new ATOM 0 HA LEU A 40 34.776 18.294 12.352 1.00 1.00 H new ATOM 0 HB2 LEU A 40 33.026 20.052 11.849 1.00 1.00 H new ATOM 0 HB3 LEU A 40 34.606 20.431 11.193 1.00 1.00 H new ATOM 0 HG LEU A 40 33.060 18.791 9.315 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.371 20.523 8.764 1.00 1.00 H new ATOM 0 HD12 LEU A 40 31.137 19.907 10.417 1.00 1.00 H new ATOM 0 HD13 LEU A 40 31.908 21.490 10.159 1.00 1.00 H new ATOM 0 HD21 LEU A 40 33.671 20.655 7.792 1.00 1.00 H new ATOM 0 HD22 LEU A 40 34.204 21.621 9.189 1.00 1.00 H new ATOM 0 HD23 LEU A 40 35.074 20.130 8.753 1.00 1.00 H new ATOM 601 N LEU A 41 32.917 16.440 10.600 1.00 1.00 N ATOM 602 CA LEU A 41 31.800 15.501 10.603 1.00 1.00 C ATOM 603 C LEU A 41 32.297 14.077 10.372 1.00 1.00 C ATOM 604 O LEU A 41 32.148 13.528 9.280 1.00 1.00 O ATOM 605 CB LEU A 41 30.799 15.877 9.508 1.00 1.00 C ATOM 606 CG LEU A 41 30.010 17.114 9.940 1.00 1.00 C ATOM 607 CD1 LEU A 41 29.875 18.073 8.756 1.00 1.00 C ATOM 608 CD2 LEU A 41 28.618 16.691 10.412 1.00 1.00 C ATOM 0 H LEU A 41 33.590 16.297 9.847 1.00 1.00 H new ATOM 0 HA LEU A 41 31.311 15.550 11.576 1.00 1.00 H new ATOM 0 HB2 LEU A 41 31.324 16.076 8.574 1.00 1.00 H new ATOM 0 HB3 LEU A 41 30.119 15.046 9.321 1.00 1.00 H new ATOM 0 HG LEU A 41 30.535 17.613 10.754 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.313 18.954 9.064 1.00 1.00 H new ATOM 0 HD12 LEU A 41 30.866 18.375 8.417 1.00 1.00 H new ATOM 0 HD13 LEU A 41 29.350 17.574 7.942 1.00 1.00 H new ATOM 0 HD21 LEU A 41 28.055 17.572 10.720 1.00 1.00 H new ATOM 0 HD22 LEU A 41 28.094 16.192 9.597 1.00 1.00 H new ATOM 0 HD23 LEU A 41 28.712 16.007 11.256 1.00 1.00 H new ATOM 620 N GLY A 42 32.886 13.486 11.405 1.00 1.00 N ATOM 621 CA GLY A 42 33.401 12.125 11.304 1.00 1.00 C ATOM 622 C GLY A 42 34.537 11.893 12.295 1.00 1.00 C ATOM 623 O GLY A 42 34.917 10.753 12.559 1.00 1.00 O ATOM 0 H GLY A 42 33.019 13.924 12.317 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.597 11.414 11.494 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.756 11.941 10.290 1.00 1.00 H new ATOM 627 N THR A 43 35.073 12.982 12.839 1.00 1.00 N ATOM 628 CA THR A 43 36.166 12.890 13.801 1.00 1.00 C ATOM 629 C THR A 43 35.876 13.753 15.025 1.00 1.00 C ATOM 630 O THR A 43 36.191 13.373 16.152 1.00 1.00 O ATOM 631 CB THR A 43 37.473 13.347 13.151 1.00 1.00 C ATOM 632 OG1 THR A 43 37.190 13.959 11.900 1.00 1.00 O ATOM 633 CG2 THR A 43 38.388 12.141 12.935 1.00 1.00 C ATOM 0 H THR A 43 34.770 13.934 12.631 1.00 1.00 H new ATOM 0 HA THR A 43 36.261 11.851 14.117 1.00 1.00 H new ATOM 0 HB THR A 43 37.971 14.065 13.803 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.041 14.919 12.032 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.319 12.469 12.472 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.606 11.673 13.895 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.893 11.421 12.284 1.00 1.00 H new ATOM 641 N THR A 44 35.271 14.913 14.794 1.00 1.00 N ATOM 642 CA THR A 44 34.942 15.821 15.888 1.00 1.00 C ATOM 643 C THR A 44 34.244 15.068 17.015 1.00 1.00 C ATOM 644 O THR A 44 34.108 15.580 18.126 1.00 1.00 O ATOM 645 CB THR A 44 34.033 16.943 15.380 1.00 1.00 C ATOM 646 OG1 THR A 44 34.173 18.080 16.221 1.00 1.00 O ATOM 647 CG2 THR A 44 32.579 16.470 15.395 1.00 1.00 C ATOM 0 H THR A 44 35.000 15.245 13.868 1.00 1.00 H new ATOM 0 HA THR A 44 35.868 16.250 16.272 1.00 1.00 H new ATOM 0 HB THR A 44 34.315 17.207 14.361 1.00 1.00 H new ATOM 0 HG1 THR A 44 33.593 18.800 15.897 1.00 1.00 H new ATOM 0 HG21 THR A 44 31.933 17.270 15.033 1.00 1.00 H new ATOM 0 HG22 THR A 44 32.473 15.598 14.750 1.00 1.00 H new ATOM 0 HG23 THR A 44 32.293 16.205 16.413 1.00 1.00 H new ATOM 655 N GLY A 45 33.804 13.849 16.720 1.00 1.00 N ATOM 656 CA GLY A 45 33.121 13.032 17.716 1.00 1.00 C ATOM 657 C GLY A 45 34.071 12.636 18.840 1.00 1.00 C ATOM 658 O GLY A 45 34.083 13.254 19.904 1.00 1.00 O ATOM 0 H GLY A 45 33.907 13.408 15.806 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.275 13.584 18.127 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.718 12.137 17.243 1.00 1.00 H new ATOM 662 N ASN A 46 34.870 11.602 18.595 1.00 1.00 N ATOM 663 CA ASN A 46 35.823 11.133 19.594 1.00 1.00 C ATOM 664 C ASN A 46 37.158 10.791 18.938 1.00 1.00 C ATOM 665 O ASN A 46 37.638 9.661 19.040 1.00 1.00 O ATOM 666 CB ASN A 46 35.268 9.897 20.307 1.00 1.00 C ATOM 667 CG ASN A 46 34.266 10.317 21.376 1.00 1.00 C ATOM 668 OD1 ASN A 46 33.228 11.033 21.039 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 34.431 9.981 22.549 1.00 1.00 N flip ATOM 0 H ASN A 46 34.877 11.077 17.721 1.00 1.00 H new ATOM 0 HA ASN A 46 35.982 11.929 20.322 1.00 1.00 H new ATOM 0 HB2 ASN A 46 34.787 9.236 19.586 1.00 1.00 H new ATOM 0 HB3 ASN A 46 36.082 9.333 20.762 1.00 1.00 H new ATOM 0 HD21 ASN A 46 35.243 9.421 22.810 1.00 1.00 H new ATOM 0 HD22 ASN A 46 33.756 10.262 23.260 1.00 1.00 H new ATOM 676 N GLY A 47 37.748 11.775 18.267 1.00 1.00 N ATOM 677 CA GLY A 47 39.028 11.575 17.594 1.00 1.00 C ATOM 678 C GLY A 47 40.125 12.405 18.251 1.00 1.00 C ATOM 679 O GLY A 47 41.308 12.079 18.147 1.00 1.00 O ATOM 0 H GLY A 47 37.363 12.715 18.174 1.00 1.00 H new ATOM 0 HA2 GLY A 47 39.298 10.519 17.624 1.00 1.00 H new ATOM 0 HA3 GLY A 47 38.938 11.851 16.543 1.00 1.00 H new ATOM 683 N LEU A 48 39.726 13.479 18.925 1.00 1.00 N ATOM 684 CA LEU A 48 40.686 14.350 19.595 1.00 1.00 C ATOM 685 C LEU A 48 40.681 14.101 21.099 1.00 1.00 C ATOM 686 O LEU A 48 41.622 14.469 21.802 1.00 1.00 O ATOM 687 CB LEU A 48 40.346 15.817 19.311 1.00 1.00 C ATOM 688 CG LEU A 48 39.079 16.224 20.069 1.00 1.00 C ATOM 689 CD1 LEU A 48 39.460 17.044 21.305 1.00 1.00 C ATOM 690 CD2 LEU A 48 38.195 17.074 19.154 1.00 1.00 C ATOM 0 H LEU A 48 38.752 13.766 19.022 1.00 1.00 H new ATOM 0 HA LEU A 48 41.681 14.128 19.210 1.00 1.00 H new ATOM 0 HB2 LEU A 48 41.178 16.455 19.610 1.00 1.00 H new ATOM 0 HB3 LEU A 48 40.201 15.963 18.241 1.00 1.00 H new ATOM 0 HG LEU A 48 38.539 15.329 20.379 1.00 1.00 H new ATOM 0 HD11 LEU A 48 38.557 17.333 21.843 1.00 1.00 H new ATOM 0 HD12 LEU A 48 40.095 16.445 21.958 1.00 1.00 H new ATOM 0 HD13 LEU A 48 40.000 17.939 20.996 1.00 1.00 H new ATOM 0 HD21 LEU A 48 37.292 17.366 19.690 1.00 1.00 H new ATOM 0 HD22 LEU A 48 38.740 17.967 18.848 1.00 1.00 H new ATOM 0 HD23 LEU A 48 37.922 16.495 18.271 1.00 1.00 H new ATOM 702 N VAL A 49 39.615 13.477 21.584 1.00 1.00 N ATOM 703 CA VAL A 49 39.492 13.186 23.006 1.00 1.00 C ATOM 704 C VAL A 49 40.714 12.421 23.502 1.00 1.00 C ATOM 705 O VAL A 49 40.877 12.201 24.702 1.00 1.00 O ATOM 706 CB VAL A 49 38.229 12.364 23.259 1.00 1.00 C ATOM 707 CG1 VAL A 49 37.005 13.154 22.791 1.00 1.00 C ATOM 708 CG2 VAL A 49 38.314 11.049 22.480 1.00 1.00 C ATOM 0 H VAL A 49 38.827 13.164 21.017 1.00 1.00 H new ATOM 0 HA VAL A 49 39.425 14.128 23.550 1.00 1.00 H new ATOM 0 HB VAL A 49 38.140 12.152 24.324 1.00 1.00 H new ATOM 0 HG11 VAL A 49 36.103 12.568 22.971 1.00 1.00 H new ATOM 0 HG12 VAL A 49 36.945 14.092 23.343 1.00 1.00 H new ATOM 0 HG13 VAL A 49 37.094 13.365 21.725 1.00 1.00 H new ATOM 0 HG21 VAL A 49 37.414 10.461 22.659 1.00 1.00 H new ATOM 0 HG22 VAL A 49 38.402 11.262 21.415 1.00 1.00 H new ATOM 0 HG23 VAL A 49 39.187 10.486 22.811 1.00 1.00 H new ATOM 718 N LEU A 50 41.571 12.021 22.569 1.00 1.00 N ATOM 719 CA LEU A 50 42.779 11.284 22.917 1.00 1.00 C ATOM 720 C LEU A 50 43.934 12.247 23.176 1.00 1.00 C ATOM 721 O LEU A 50 45.060 11.825 23.436 1.00 1.00 O ATOM 722 CB LEU A 50 43.152 10.329 21.782 1.00 1.00 C ATOM 723 CG LEU A 50 41.889 9.660 21.237 1.00 1.00 C ATOM 724 CD1 LEU A 50 42.272 8.648 20.155 1.00 1.00 C ATOM 725 CD2 LEU A 50 41.164 8.936 22.374 1.00 1.00 C ATOM 0 H LEU A 50 41.452 12.194 21.571 1.00 1.00 H new ATOM 0 HA LEU A 50 42.587 10.711 23.824 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.659 10.875 20.986 1.00 1.00 H new ATOM 0 HB3 LEU A 50 43.849 9.573 22.144 1.00 1.00 H new ATOM 0 HG LEU A 50 41.233 10.419 20.810 1.00 1.00 H new ATOM 0 HD11 LEU A 50 41.372 8.172 19.767 1.00 1.00 H new ATOM 0 HD12 LEU A 50 42.789 9.161 19.344 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.928 7.890 20.582 1.00 1.00 H new ATOM 0 HD21 LEU A 50 40.264 8.459 21.986 1.00 1.00 H new ATOM 0 HD22 LEU A 50 41.821 8.178 22.800 1.00 1.00 H new ATOM 0 HD23 LEU A 50 40.890 9.654 23.146 1.00 1.00 H new ATOM 737 N TRP A 51 43.641 13.544 23.104 1.00 1.00 N ATOM 738 CA TRP A 51 44.656 14.569 23.331 1.00 1.00 C ATOM 739 C TRP A 51 44.375 15.322 24.628 1.00 1.00 C ATOM 740 O TRP A 51 45.299 15.696 25.350 1.00 1.00 O ATOM 741 CB TRP A 51 44.677 15.550 22.154 1.00 1.00 C ATOM 742 CG TRP A 51 44.908 16.941 22.655 1.00 1.00 C ATOM 743 CD1 TRP A 51 45.979 17.338 23.380 1.00 1.00 C ATOM 744 CD2 TRP A 51 44.071 18.121 22.480 1.00 1.00 C ATOM 745 NE1 TRP A 51 45.851 18.687 23.662 1.00 1.00 N ATOM 746 CE2 TRP A 51 44.692 19.214 23.129 1.00 1.00 C ATOM 747 CE3 TRP A 51 42.844 18.345 21.830 1.00 1.00 C ATOM 748 CZ2 TRP A 51 44.117 20.486 23.131 1.00 1.00 C ATOM 749 CZ3 TRP A 51 42.263 19.624 21.830 1.00 1.00 C ATOM 750 CH2 TRP A 51 42.899 20.692 22.478 1.00 1.00 C ATOM 0 H TRP A 51 42.712 13.908 22.891 1.00 1.00 H new ATOM 0 HA TRP A 51 45.629 14.084 23.414 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.463 15.272 21.451 1.00 1.00 H new ATOM 0 HB3 TRP A 51 43.733 15.501 21.612 1.00 1.00 H new ATOM 0 HD1 TRP A 51 46.799 16.706 23.688 1.00 1.00 H new ATOM 0 HE1 TRP A 51 46.531 19.226 24.199 1.00 1.00 H new ATOM 0 HE3 TRP A 51 42.346 17.529 21.328 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 44.610 21.305 23.634 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 41.321 19.785 21.328 1.00 1.00 H new ATOM 0 HH2 TRP A 51 42.448 21.673 22.473 1.00 1.00 H new ATOM 761 N THR A 52 43.097 15.540 24.918 1.00 1.00 N ATOM 762 CA THR A 52 42.713 16.250 26.133 1.00 1.00 C ATOM 763 C THR A 52 42.808 15.326 27.343 1.00 1.00 C ATOM 764 O THR A 52 43.387 15.686 28.367 1.00 1.00 O ATOM 765 CB THR A 52 41.281 16.776 26.006 1.00 1.00 C ATOM 766 OG1 THR A 52 40.383 15.847 26.599 1.00 1.00 O ATOM 767 CG2 THR A 52 40.931 16.956 24.529 1.00 1.00 C ATOM 0 H THR A 52 42.316 15.239 24.335 1.00 1.00 H new ATOM 0 HA THR A 52 43.396 17.088 26.270 1.00 1.00 H new ATOM 0 HB THR A 52 41.199 17.736 26.515 1.00 1.00 H new ATOM 0 HG1 THR A 52 39.466 16.183 26.520 1.00 1.00 H new ATOM 0 HG21 THR A 52 39.911 17.331 24.440 1.00 1.00 H new ATOM 0 HG22 THR A 52 41.620 17.669 24.076 1.00 1.00 H new ATOM 0 HG23 THR A 52 41.012 15.997 24.017 1.00 1.00 H new ATOM 775 N VAL A 53 42.235 14.135 27.215 1.00 1.00 N ATOM 776 CA VAL A 53 42.260 13.166 28.304 1.00 1.00 C ATOM 777 C VAL A 53 43.634 13.143 28.968 1.00 1.00 C ATOM 778 O VAL A 53 43.748 12.926 30.174 1.00 1.00 O ATOM 779 CB VAL A 53 41.925 11.772 27.773 1.00 1.00 C ATOM 780 CG1 VAL A 53 42.445 10.715 28.747 1.00 1.00 C ATOM 781 CG2 VAL A 53 40.407 11.633 27.633 1.00 1.00 C ATOM 0 H VAL A 53 41.751 13.819 26.375 1.00 1.00 H new ATOM 0 HA VAL A 53 41.515 13.460 29.043 1.00 1.00 H new ATOM 0 HB VAL A 53 42.396 11.631 26.800 1.00 1.00 H new ATOM 0 HG11 VAL A 53 42.206 9.722 28.368 1.00 1.00 H new ATOM 0 HG12 VAL A 53 43.526 10.814 28.849 1.00 1.00 H new ATOM 0 HG13 VAL A 53 41.975 10.855 29.720 1.00 1.00 H new ATOM 0 HG21 VAL A 53 40.166 10.640 27.254 1.00 1.00 H new ATOM 0 HG22 VAL A 53 39.937 11.774 28.606 1.00 1.00 H new ATOM 0 HG23 VAL A 53 40.035 12.386 26.938 1.00 1.00 H new ATOM 791 N PHE A 54 44.674 13.369 28.171 1.00 1.00 N ATOM 792 CA PHE A 54 46.036 13.373 28.692 1.00 1.00 C ATOM 793 C PHE A 54 46.210 14.474 29.732 1.00 1.00 C ATOM 794 O PHE A 54 46.842 14.269 30.769 1.00 1.00 O ATOM 795 CB PHE A 54 47.031 13.587 27.549 1.00 1.00 C ATOM 796 CG PHE A 54 47.508 12.249 27.036 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.601 11.195 26.878 1.00 1.00 C ATOM 798 CD2 PHE A 54 48.859 12.064 26.718 1.00 1.00 C ATOM 799 CE1 PHE A 54 47.043 9.955 26.402 1.00 1.00 C ATOM 800 CE2 PHE A 54 49.302 10.824 26.242 1.00 1.00 C ATOM 801 CZ PHE A 54 48.394 9.770 26.084 1.00 1.00 C ATOM 0 H PHE A 54 44.601 13.550 27.170 1.00 1.00 H new ATOM 0 HA PHE A 54 46.226 12.410 29.165 1.00 1.00 H new ATOM 0 HB2 PHE A 54 46.559 14.150 26.743 1.00 1.00 H new ATOM 0 HB3 PHE A 54 47.878 14.178 27.897 1.00 1.00 H new ATOM 0 HD1 PHE A 54 45.559 11.338 27.124 1.00 1.00 H new ATOM 0 HD2 PHE A 54 49.559 12.877 26.840 1.00 1.00 H new ATOM 0 HE1 PHE A 54 46.343 9.142 26.280 1.00 1.00 H new ATOM 0 HE2 PHE A 54 50.344 10.681 25.997 1.00 1.00 H new ATOM 0 HZ PHE A 54 48.736 8.814 25.717 1.00 1.00 H new ATOM 811 N ARG A 55 45.643 15.643 29.450 1.00 1.00 N ATOM 812 CA ARG A 55 45.742 16.771 30.368 1.00 1.00 C ATOM 813 C ARG A 55 44.749 16.615 31.517 1.00 1.00 C ATOM 814 O ARG A 55 45.085 16.855 32.676 1.00 1.00 O ATOM 815 CB ARG A 55 45.462 18.078 29.624 1.00 1.00 C ATOM 816 CG ARG A 55 46.587 18.346 28.621 1.00 1.00 C ATOM 817 CD ARG A 55 45.985 18.694 27.259 1.00 1.00 C ATOM 818 NE ARG A 55 47.019 19.202 26.365 1.00 1.00 N ATOM 819 CZ ARG A 55 47.408 20.472 26.415 1.00 1.00 C ATOM 820 NH1 ARG A 55 46.864 21.286 27.277 1.00 1.00 N ATOM 821 NH2 ARG A 55 48.332 20.904 25.601 1.00 1.00 N ATOM 0 H ARG A 55 45.114 15.833 28.599 1.00 1.00 H new ATOM 0 HA ARG A 55 46.753 16.795 30.776 1.00 1.00 H new ATOM 0 HB2 ARG A 55 44.505 18.016 29.105 1.00 1.00 H new ATOM 0 HB3 ARG A 55 45.388 18.903 30.332 1.00 1.00 H new ATOM 0 HG2 ARG A 55 47.215 19.165 28.973 1.00 1.00 H new ATOM 0 HG3 ARG A 55 47.227 17.468 28.534 1.00 1.00 H new ATOM 0 HD2 ARG A 55 45.519 17.810 26.823 1.00 1.00 H new ATOM 0 HD3 ARG A 55 45.200 19.441 27.380 1.00 1.00 H new ATOM 0 HE ARG A 55 47.451 18.572 25.690 1.00 1.00 H new ATOM 0 HH11 ARG A 55 46.141 20.948 27.912 1.00 1.00 H new ATOM 0 HH12 ARG A 55 47.162 22.261 27.316 1.00 1.00 H new ATOM 0 HH21 ARG A 55 48.756 20.267 24.926 1.00 1.00 H new ATOM 0 HH22 ARG A 55 48.630 21.879 25.639 1.00 1.00 H new ATOM 835 N LYS A 56 43.527 16.211 31.186 1.00 1.00 N ATOM 836 CA LYS A 56 42.495 16.026 32.198 1.00 1.00 C ATOM 837 C LYS A 56 42.752 14.755 33.001 1.00 1.00 C ATOM 838 O LYS A 56 41.978 14.403 33.891 1.00 1.00 O ATOM 839 CB LYS A 56 41.119 15.941 31.533 1.00 1.00 C ATOM 840 CG LYS A 56 41.020 16.996 30.428 1.00 1.00 C ATOM 841 CD LYS A 56 41.451 18.356 30.979 1.00 1.00 C ATOM 842 CE LYS A 56 40.923 19.466 30.069 1.00 1.00 C ATOM 843 NZ LYS A 56 41.385 20.788 30.579 1.00 1.00 N ATOM 0 H LYS A 56 43.229 16.007 30.232 1.00 1.00 H new ATOM 0 HA LYS A 56 42.520 16.881 32.874 1.00 1.00 H new ATOM 0 HB2 LYS A 56 40.966 14.946 31.115 1.00 1.00 H new ATOM 0 HB3 LYS A 56 40.335 16.100 32.273 1.00 1.00 H new ATOM 0 HG2 LYS A 56 41.653 16.716 29.586 1.00 1.00 H new ATOM 0 HG3 LYS A 56 39.998 17.051 30.054 1.00 1.00 H new ATOM 0 HD2 LYS A 56 41.068 18.488 31.991 1.00 1.00 H new ATOM 0 HD3 LYS A 56 42.538 18.408 31.040 1.00 1.00 H new ATOM 0 HE2 LYS A 56 41.276 19.314 29.049 1.00 1.00 H new ATOM 0 HE3 LYS A 56 39.834 19.437 30.037 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 41.026 21.543 29.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 41.027 20.932 31.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 42.425 20.813 30.588 1.00 1.00 H new