USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 278 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 167:sc= -1.52! USER MOD Single : A 12 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 24:sc= 0.0936 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0.574 (180deg=0.562) USER MOD Single : A 29 ASN : amide:sc= -1.49 X(o=-1.5,f=-1) USER MOD Single : A 33 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.15) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.947 -6.680 -2.872 1.00 0.00 N ATOM 43 CA TYR A 5 2.801 -5.528 -2.615 1.00 0.00 C ATOM 44 C TYR A 5 4.001 -5.913 -1.761 1.00 0.00 C ATOM 45 O TYR A 5 5.059 -5.288 -1.837 1.00 0.00 O ATOM 46 CB TYR A 5 2.007 -4.429 -1.916 1.00 0.00 C ATOM 47 CG TYR A 5 0.745 -4.033 -2.641 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.478 -4.610 -2.324 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.776 -3.064 -3.632 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.633 -4.232 -2.974 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.371 -2.684 -4.291 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.576 -3.268 -3.961 1.00 0.00 C ATOM 53 OH TYR A 5 -2.725 -2.887 -4.614 1.00 0.00 O ATOM 0 HA TYR A 5 3.164 -5.160 -3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.748 -4.764 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.642 -3.550 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.525 -5.367 -1.555 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.716 -2.600 -3.891 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.577 -4.687 -2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.328 -1.931 -5.064 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.511 -2.199 -5.278 1.00 0.00 H new ATOM 63 N SER A 6 3.829 -6.950 -0.948 1.00 0.00 N ATOM 64 CA SER A 6 4.895 -7.426 -0.080 1.00 0.00 C ATOM 65 C SER A 6 6.175 -7.673 -0.878 1.00 0.00 C ATOM 66 O SER A 6 7.278 -7.613 -0.337 1.00 0.00 O ATOM 67 CB SER A 6 4.450 -8.700 0.636 1.00 0.00 C ATOM 68 OG SER A 6 5.532 -9.312 1.315 1.00 0.00 O ATOM 0 H SER A 6 2.959 -7.477 -0.874 1.00 0.00 H new ATOM 0 HA SER A 6 5.109 -6.660 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.659 -8.463 1.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.030 -9.399 -0.087 1.00 0.00 H new ATOM 0 HG SER A 6 5.218 -10.124 1.765 1.00 0.00 H new ATOM 74 N SER A 7 6.014 -7.933 -2.174 1.00 0.00 N ATOM 75 CA SER A 7 7.152 -8.169 -3.056 1.00 0.00 C ATOM 76 C SER A 7 7.549 -6.876 -3.766 1.00 0.00 C ATOM 77 O SER A 7 8.711 -6.685 -4.127 1.00 0.00 O ATOM 78 CB SER A 7 6.814 -9.250 -4.086 1.00 0.00 C ATOM 79 OG SER A 7 7.760 -9.264 -5.140 1.00 0.00 O ATOM 0 H SER A 7 5.106 -7.985 -2.635 1.00 0.00 H new ATOM 0 HA SER A 7 7.992 -8.511 -2.452 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.792 -10.225 -3.600 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.817 -9.073 -4.490 1.00 0.00 H new ATOM 0 HG SER A 7 7.522 -9.964 -5.783 1.00 0.00 H new ATOM 85 N LEU A 8 6.574 -5.989 -3.953 1.00 0.00 N ATOM 86 CA LEU A 8 6.811 -4.705 -4.608 1.00 0.00 C ATOM 87 C LEU A 8 7.874 -3.909 -3.855 1.00 0.00 C ATOM 88 O LEU A 8 8.600 -4.459 -3.026 1.00 0.00 O ATOM 89 CB LEU A 8 5.503 -3.905 -4.673 1.00 0.00 C ATOM 90 CG LEU A 8 4.899 -3.739 -6.069 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.706 -4.662 -6.242 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.485 -2.292 -6.304 1.00 0.00 C ATOM 0 H LEU A 8 5.609 -6.137 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 8 7.169 -4.889 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.767 -4.393 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.682 -2.915 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 8 5.657 -4.006 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.287 -4.532 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.025 -5.696 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.948 -4.421 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.058 -2.193 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.743 -2.001 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.358 -1.645 -6.218 1.00 0.00 H new ATOM 104 N THR A 9 7.954 -2.611 -4.134 1.00 0.00 N ATOM 105 CA THR A 9 8.919 -1.748 -3.464 1.00 0.00 C ATOM 106 C THR A 9 8.202 -0.719 -2.599 1.00 0.00 C ATOM 107 O THR A 9 7.024 -0.430 -2.805 1.00 0.00 O ATOM 108 CB THR A 9 9.835 -1.043 -4.476 1.00 0.00 C ATOM 109 OG1 THR A 9 10.182 0.255 -4.021 1.00 0.00 O ATOM 110 CG2 THR A 9 9.226 -0.895 -5.856 1.00 0.00 C ATOM 0 H THR A 9 7.364 -2.136 -4.817 1.00 0.00 H new ATOM 0 HA THR A 9 9.541 -2.376 -2.826 1.00 0.00 H new ATOM 0 HB THR A 9 10.711 -1.687 -4.556 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.920 0.605 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.933 -0.388 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.997 -1.881 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.309 -0.309 -5.788 1.00 0.00 H new ATOM 118 N VAL A 10 8.921 -0.174 -1.630 1.00 0.00 N ATOM 119 CA VAL A 10 8.359 0.819 -0.726 1.00 0.00 C ATOM 120 C VAL A 10 7.943 2.078 -1.472 1.00 0.00 C ATOM 121 O VAL A 10 6.993 2.749 -1.082 1.00 0.00 O ATOM 122 CB VAL A 10 9.373 1.217 0.359 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.611 0.065 1.322 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.674 1.672 -0.287 1.00 0.00 C ATOM 0 H VAL A 10 9.898 -0.403 -1.449 1.00 0.00 H new ATOM 0 HA VAL A 10 7.484 0.361 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 10 8.966 2.048 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.332 0.369 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.671 -0.208 1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.001 -0.793 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.387 1.952 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.088 0.859 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.480 2.531 -0.929 1.00 0.00 H new ATOM 134 N VAL A 11 8.671 2.399 -2.538 1.00 0.00 N ATOM 135 CA VAL A 11 8.388 3.592 -3.325 1.00 0.00 C ATOM 136 C VAL A 11 7.074 3.465 -4.083 1.00 0.00 C ATOM 137 O VAL A 11 6.267 4.395 -4.110 1.00 0.00 O ATOM 138 CB VAL A 11 9.530 3.886 -4.324 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.876 3.767 -3.632 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.468 2.951 -5.524 1.00 0.00 C ATOM 0 H VAL A 11 9.461 1.849 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 11 8.307 4.421 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 11 9.406 4.906 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.672 3.976 -4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.928 4.482 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.996 2.757 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.284 3.183 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.560 1.919 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.516 3.081 -6.038 1.00 0.00 H new ATOM 150 N GLN A 12 6.863 2.309 -4.694 1.00 0.00 N ATOM 151 CA GLN A 12 5.645 2.066 -5.449 1.00 0.00 C ATOM 152 C GLN A 12 4.477 1.869 -4.505 1.00 0.00 C ATOM 153 O GLN A 12 3.379 2.369 -4.742 1.00 0.00 O ATOM 154 CB GLN A 12 5.800 0.843 -6.352 1.00 0.00 C ATOM 155 CG GLN A 12 6.141 1.190 -7.791 1.00 0.00 C ATOM 156 CD GLN A 12 7.628 1.107 -8.077 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.332 2.115 -8.063 1.00 0.00 O ATOM 158 NE2 GLN A 12 8.113 -0.102 -8.339 1.00 0.00 N ATOM 0 H GLN A 12 7.518 1.527 -4.682 1.00 0.00 H new ATOM 0 HA GLN A 12 5.453 2.936 -6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.581 0.199 -5.947 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.873 0.269 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.608 0.514 -8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.789 2.198 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.492 -0.911 -8.340 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.106 -0.221 -8.539 1.00 0.00 H new ATOM 167 N LEU A 13 4.728 1.131 -3.432 1.00 0.00 N ATOM 168 CA LEU A 13 3.703 0.852 -2.444 1.00 0.00 C ATOM 169 C LEU A 13 3.100 2.142 -1.896 1.00 0.00 C ATOM 170 O LEU A 13 1.888 2.339 -1.942 1.00 0.00 O ATOM 171 CB LEU A 13 4.273 0.007 -1.304 1.00 0.00 C ATOM 172 CG LEU A 13 3.864 -1.467 -1.331 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.916 -2.294 -2.046 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.646 -1.990 0.079 1.00 0.00 C ATOM 0 H LEU A 13 5.636 0.715 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 13 2.909 0.289 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.361 0.068 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.955 0.440 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 13 2.924 -1.552 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.611 -3.340 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.025 -1.937 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.869 -2.200 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.356 -3.040 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.569 -1.891 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.857 -1.415 0.563 1.00 0.00 H new ATOM 186 N LYS A 14 3.947 3.019 -1.376 1.00 0.00 N ATOM 187 CA LYS A 14 3.477 4.281 -0.819 1.00 0.00 C ATOM 188 C LYS A 14 2.990 5.227 -1.914 1.00 0.00 C ATOM 189 O LYS A 14 2.057 6.000 -1.701 1.00 0.00 O ATOM 190 CB LYS A 14 4.581 4.948 -0.004 1.00 0.00 C ATOM 191 CG LYS A 14 5.765 5.400 -0.838 1.00 0.00 C ATOM 192 CD LYS A 14 6.790 6.154 -0.004 1.00 0.00 C ATOM 193 CE LYS A 14 6.136 7.204 0.882 1.00 0.00 C ATOM 194 NZ LYS A 14 6.970 8.432 1.000 1.00 0.00 N ATOM 0 H LYS A 14 4.957 2.882 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 14 2.634 4.060 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.165 5.810 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.929 4.251 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.238 4.532 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.415 6.039 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.344 5.449 0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.513 6.634 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.160 7.466 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.964 6.786 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.488 9.121 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.892 8.187 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.113 8.847 0.057 1.00 0.00 H new ATOM 208 N ASP A 15 3.614 5.161 -3.087 1.00 0.00 N ATOM 209 CA ASP A 15 3.220 6.015 -4.200 1.00 0.00 C ATOM 210 C ASP A 15 1.788 5.700 -4.614 1.00 0.00 C ATOM 211 O ASP A 15 0.935 6.588 -4.713 1.00 0.00 O ATOM 212 CB ASP A 15 4.172 5.822 -5.383 1.00 0.00 C ATOM 213 CG ASP A 15 3.811 6.697 -6.568 1.00 0.00 C ATOM 214 OD1 ASP A 15 2.697 6.535 -7.109 1.00 0.00 O ATOM 215 OD2 ASP A 15 4.643 7.545 -6.954 1.00 0.00 O ATOM 0 H ASP A 15 4.389 4.529 -3.289 1.00 0.00 H new ATOM 0 HA ASP A 15 3.274 7.056 -3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.190 6.047 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.158 4.776 -5.690 1.00 0.00 H new ATOM 220 N LEU A 16 1.524 4.419 -4.826 1.00 0.00 N ATOM 221 CA LEU A 16 0.199 3.971 -5.200 1.00 0.00 C ATOM 222 C LEU A 16 -0.755 4.200 -4.038 1.00 0.00 C ATOM 223 O LEU A 16 -1.940 4.439 -4.234 1.00 0.00 O ATOM 224 CB LEU A 16 0.236 2.490 -5.617 1.00 0.00 C ATOM 225 CG LEU A 16 -0.343 1.477 -4.614 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.215 0.451 -5.318 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.774 0.783 -3.857 1.00 0.00 C ATOM 0 H LEU A 16 2.215 3.673 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.157 4.544 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.307 2.387 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.273 2.218 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.964 2.023 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.612 -0.253 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.040 0.957 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.620 -0.088 -6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.347 0.070 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.418 0.256 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.360 1.524 -3.314 1.00 0.00 H new ATOM 239 N LEU A 17 -0.220 4.109 -2.824 1.00 0.00 N ATOM 240 CA LEU A 17 -1.016 4.291 -1.621 1.00 0.00 C ATOM 241 C LEU A 17 -1.672 5.660 -1.589 1.00 0.00 C ATOM 242 O LEU A 17 -2.893 5.774 -1.480 1.00 0.00 O ATOM 243 CB LEU A 17 -0.126 4.152 -0.395 1.00 0.00 C ATOM 244 CG LEU A 17 -0.027 2.750 0.176 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.032 2.708 1.265 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.383 2.307 0.703 1.00 0.00 C ATOM 0 H LEU A 17 0.765 3.910 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.795 3.529 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.876 4.494 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.499 4.818 0.383 1.00 0.00 H new ATOM 0 HG LEU A 17 0.271 2.057 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.097 1.698 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.997 2.994 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.763 3.402 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.303 1.299 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.710 2.991 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.109 2.313 -0.110 1.00 0.00 H new ATOM 258 N THR A 18 -0.852 6.696 -1.694 1.00 0.00 N ATOM 259 CA THR A 18 -1.363 8.059 -1.687 1.00 0.00 C ATOM 260 C THR A 18 -2.230 8.278 -2.916 1.00 0.00 C ATOM 261 O THR A 18 -3.209 9.023 -2.876 1.00 0.00 O ATOM 262 CB THR A 18 -0.224 9.091 -1.629 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.572 10.270 -2.333 1.00 0.00 O ATOM 264 CG2 THR A 18 1.087 8.593 -2.197 1.00 0.00 C ATOM 0 H THR A 18 0.161 6.620 -1.784 1.00 0.00 H new ATOM 0 HA THR A 18 -1.966 8.199 -0.790 1.00 0.00 H new ATOM 0 HB THR A 18 -0.084 9.287 -0.566 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.167 10.912 -2.281 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.839 9.378 -2.120 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.417 7.718 -1.637 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.951 8.323 -3.244 1.00 0.00 H new ATOM 272 N LYS A 19 -1.873 7.604 -4.007 1.00 0.00 N ATOM 273 CA LYS A 19 -2.633 7.711 -5.240 1.00 0.00 C ATOM 274 C LYS A 19 -3.947 6.922 -5.144 1.00 0.00 C ATOM 275 O LYS A 19 -4.851 7.107 -5.959 1.00 0.00 O ATOM 276 CB LYS A 19 -1.802 7.203 -6.421 1.00 0.00 C ATOM 277 CG LYS A 19 -1.253 8.316 -7.301 1.00 0.00 C ATOM 278 CD LYS A 19 0.259 8.428 -7.186 1.00 0.00 C ATOM 279 CE LYS A 19 0.665 9.567 -6.266 1.00 0.00 C ATOM 280 NZ LYS A 19 2.050 10.039 -6.542 1.00 0.00 N ATOM 0 H LYS A 19 -1.066 6.982 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.874 8.762 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.971 6.608 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.417 6.540 -7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.526 8.128 -8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.711 9.264 -7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.667 7.491 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.689 8.587 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.032 10.397 -6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.594 9.239 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.288 10.816 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.718 9.255 -6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.113 10.376 -7.524 1.00 0.00 H new ATOM 351 N SER A 23 -3.151 6.125 2.451 1.00 0.00 N ATOM 352 CA SER A 23 -1.985 6.836 2.949 1.00 0.00 C ATOM 353 C SER A 23 -0.775 5.921 3.009 1.00 0.00 C ATOM 354 O SER A 23 -0.828 4.766 2.587 1.00 0.00 O ATOM 355 CB SER A 23 -2.249 7.425 4.332 1.00 0.00 C ATOM 356 OG SER A 23 -3.400 8.251 4.330 1.00 0.00 O ATOM 0 HA SER A 23 -1.780 7.650 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.379 6.619 5.054 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.384 8.005 4.654 1.00 0.00 H new ATOM 0 HG SER A 23 -3.989 7.990 3.591 1.00 0.00 H new ATOM 362 N VAL A 24 0.316 6.455 3.533 1.00 0.00 N ATOM 363 CA VAL A 24 1.553 5.708 3.651 1.00 0.00 C ATOM 364 C VAL A 24 2.110 5.768 5.074 1.00 0.00 C ATOM 365 O VAL A 24 3.165 5.205 5.358 1.00 0.00 O ATOM 366 CB VAL A 24 2.603 6.245 2.662 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.968 6.476 1.300 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.228 7.529 3.191 1.00 0.00 C ATOM 0 H VAL A 24 0.368 7.411 3.885 1.00 0.00 H new ATOM 0 HA VAL A 24 1.330 4.668 3.413 1.00 0.00 H new ATOM 0 HB VAL A 24 3.394 5.503 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.720 6.856 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.568 5.536 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.161 7.202 1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.968 7.894 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.452 8.282 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.712 7.331 4.147 1.00 0.00 H new ATOM 378 N GLY A 25 1.396 6.452 5.964 1.00 0.00 N ATOM 379 CA GLY A 25 1.838 6.560 7.342 1.00 0.00 C ATOM 380 C GLY A 25 1.742 5.236 8.075 1.00 0.00 C ATOM 381 O GLY A 25 0.996 5.106 9.047 1.00 0.00 O ATOM 0 H GLY A 25 0.521 6.932 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.869 6.913 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.234 7.305 7.859 1.00 0.00 H new ATOM 385 N GLY A 26 2.502 4.252 7.606 1.00 0.00 N ATOM 386 CA GLY A 26 2.496 2.941 8.220 1.00 0.00 C ATOM 387 C GLY A 26 3.810 2.221 8.000 1.00 0.00 C ATOM 388 O GLY A 26 4.729 2.339 8.808 1.00 0.00 O ATOM 0 H GLY A 26 3.126 4.343 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.308 3.039 9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.681 2.348 7.806 1.00 0.00 H new ATOM 392 N LEU A 27 3.895 1.480 6.899 1.00 0.00 N ATOM 393 CA LEU A 27 5.100 0.734 6.547 1.00 0.00 C ATOM 394 C LEU A 27 4.816 -0.203 5.381 1.00 0.00 C ATOM 395 O LEU A 27 3.662 -0.435 5.039 1.00 0.00 O ATOM 396 CB LEU A 27 5.601 -0.062 7.748 1.00 0.00 C ATOM 397 CG LEU A 27 7.044 0.230 8.166 1.00 0.00 C ATOM 398 CD1 LEU A 27 8.018 -0.324 7.141 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.265 1.726 8.354 1.00 0.00 C ATOM 0 H LEU A 27 3.134 1.380 6.228 1.00 0.00 H new ATOM 0 HA LEU A 27 5.873 1.443 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.946 0.139 8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.513 -1.125 7.522 1.00 0.00 H new ATOM 0 HG LEU A 27 7.225 -0.263 9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.039 -0.107 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.885 -1.403 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.830 0.140 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.298 1.907 8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.061 2.245 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.595 2.098 9.129 1.00 0.00 H new ATOM 411 N LYS A 28 5.868 -0.742 4.770 1.00 0.00 N ATOM 412 CA LYS A 28 5.704 -1.652 3.640 1.00 0.00 C ATOM 413 C LYS A 28 4.676 -2.736 3.957 1.00 0.00 C ATOM 414 O LYS A 28 3.660 -2.858 3.272 1.00 0.00 O ATOM 415 CB LYS A 28 7.044 -2.292 3.274 1.00 0.00 C ATOM 416 CG LYS A 28 7.263 -2.427 1.776 1.00 0.00 C ATOM 417 CD LYS A 28 8.486 -3.273 1.464 1.00 0.00 C ATOM 418 CE LYS A 28 8.494 -3.727 0.014 1.00 0.00 C ATOM 419 NZ LYS A 28 9.879 -3.897 -0.507 1.00 0.00 N ATOM 0 H LYS A 28 6.837 -0.566 5.036 1.00 0.00 H new ATOM 0 HA LYS A 28 5.343 -1.073 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.851 -1.695 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.103 -3.279 3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.382 -2.877 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.382 -1.438 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.389 -2.699 1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.504 -4.144 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.955 -4.670 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.963 -2.998 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.843 -4.125 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.413 -3.015 -0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.350 -4.670 0.005 1.00 0.00 H new ATOM 433 N ASN A 29 4.929 -3.507 5.011 1.00 0.00 N ATOM 434 CA ASN A 29 4.007 -4.562 5.416 1.00 0.00 C ATOM 435 C ASN A 29 2.617 -3.979 5.640 1.00 0.00 C ATOM 436 O ASN A 29 1.611 -4.532 5.191 1.00 0.00 O ATOM 437 CB ASN A 29 4.506 -5.255 6.688 1.00 0.00 C ATOM 438 CG ASN A 29 4.404 -4.368 7.916 1.00 0.00 C ATOM 439 OD1 ASN A 29 3.437 -4.448 8.674 1.00 0.00 O ATOM 440 ND2 ASN A 29 5.401 -3.517 8.116 1.00 0.00 N ATOM 0 H ASN A 29 5.760 -3.422 5.597 1.00 0.00 H new ATOM 0 HA ASN A 29 3.955 -5.305 4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.928 -6.164 6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.544 -5.558 6.549 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.386 -2.895 8.924 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.183 -3.485 7.462 1.00 0.00 H new ATOM 447 N GLU A 30 2.579 -2.842 6.321 1.00 0.00 N ATOM 448 CA GLU A 30 1.326 -2.156 6.593 1.00 0.00 C ATOM 449 C GLU A 30 0.709 -1.655 5.293 1.00 0.00 C ATOM 450 O GLU A 30 -0.510 -1.530 5.176 1.00 0.00 O ATOM 451 CB GLU A 30 1.560 -0.985 7.549 1.00 0.00 C ATOM 452 CG GLU A 30 1.372 -1.348 9.013 1.00 0.00 C ATOM 453 CD GLU A 30 0.925 -0.167 9.853 1.00 0.00 C ATOM 454 OE1 GLU A 30 1.798 0.600 10.311 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.298 -0.011 10.053 1.00 0.00 O ATOM 0 H GLU A 30 3.405 -2.375 6.696 1.00 0.00 H new ATOM 0 HA GLU A 30 0.638 -2.859 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.571 -0.605 7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.876 -0.176 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.635 -2.147 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.309 -1.738 9.410 1.00 0.00 H new ATOM 462 N TRP A 31 1.569 -1.361 4.321 1.00 0.00 N ATOM 463 CA TRP A 31 1.130 -0.864 3.027 1.00 0.00 C ATOM 464 C TRP A 31 0.453 -1.965 2.228 1.00 0.00 C ATOM 465 O TRP A 31 -0.648 -1.780 1.712 1.00 0.00 O ATOM 466 CB TRP A 31 2.321 -0.274 2.268 1.00 0.00 C ATOM 467 CG TRP A 31 2.823 0.988 2.902 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.189 1.701 3.878 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.050 1.685 2.627 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.937 2.793 4.225 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.082 2.806 3.479 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.124 1.478 1.751 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.138 3.709 3.483 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.172 2.379 1.759 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.174 3.480 2.620 1.00 0.00 C ATOM 0 H TRP A 31 2.580 -1.461 4.410 1.00 0.00 H new ATOM 0 HA TRP A 31 0.394 -0.074 3.180 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.127 -1.007 2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.029 -0.071 1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.235 1.441 4.313 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.681 3.486 4.928 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.133 0.630 1.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.141 4.562 4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.005 2.230 1.088 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.010 4.163 2.603 1.00 0.00 H new ATOM 486 N VAL A 32 1.096 -3.124 2.148 1.00 0.00 N ATOM 487 CA VAL A 32 0.517 -4.248 1.429 1.00 0.00 C ATOM 488 C VAL A 32 -0.797 -4.660 2.083 1.00 0.00 C ATOM 489 O VAL A 32 -1.747 -5.051 1.406 1.00 0.00 O ATOM 490 CB VAL A 32 1.469 -5.462 1.372 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.813 -5.959 2.767 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.855 -6.576 0.535 1.00 0.00 C ATOM 0 H VAL A 32 2.008 -3.307 2.567 1.00 0.00 H new ATOM 0 HA VAL A 32 0.340 -3.920 0.405 1.00 0.00 H new ATOM 0 HB VAL A 32 2.398 -5.144 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.485 -6.814 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.301 -5.162 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.900 -6.258 3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.537 -7.426 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.091 -6.886 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.678 -6.215 -0.478 1.00 0.00 H new ATOM 502 N GLN A 33 -0.844 -4.554 3.408 1.00 0.00 N ATOM 503 CA GLN A 33 -2.041 -4.902 4.162 1.00 0.00 C ATOM 504 C GLN A 33 -3.182 -3.935 3.847 1.00 0.00 C ATOM 505 O GLN A 33 -4.292 -4.359 3.523 1.00 0.00 O ATOM 506 CB GLN A 33 -1.746 -4.888 5.663 1.00 0.00 C ATOM 507 CG GLN A 33 -0.887 -6.055 6.125 1.00 0.00 C ATOM 508 CD GLN A 33 -1.555 -7.397 5.897 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.434 -7.803 6.658 1.00 0.00 O ATOM 510 NE2 GLN A 33 -1.139 -8.094 4.847 1.00 0.00 N ATOM 0 H GLN A 33 -0.065 -4.229 3.981 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.347 -5.906 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.244 -3.955 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.689 -4.902 6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.065 -6.033 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.664 -5.940 7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.408 -7.719 4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.551 -9.005 4.644 1.00 0.00 H new ATOM 519 N ARG A 34 -2.907 -2.634 3.943 1.00 0.00 N ATOM 520 CA ARG A 34 -3.921 -1.621 3.664 1.00 0.00 C ATOM 521 C ARG A 34 -4.342 -1.661 2.197 1.00 0.00 C ATOM 522 O ARG A 34 -5.527 -1.543 1.881 1.00 0.00 O ATOM 523 CB ARG A 34 -3.421 -0.225 4.043 1.00 0.00 C ATOM 524 CG ARG A 34 -2.228 0.243 3.243 1.00 0.00 C ATOM 525 CD ARG A 34 -1.929 1.705 3.526 1.00 0.00 C ATOM 526 NE ARG A 34 -1.806 1.982 4.955 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.436 2.975 5.584 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.237 3.799 4.920 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.257 3.146 6.887 1.00 0.00 N ATOM 0 H ARG A 34 -1.996 -2.260 4.210 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.794 -1.846 4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.235 0.488 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.160 -0.220 5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.358 -0.365 3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.421 0.106 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.004 1.988 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.722 2.323 3.106 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.199 1.377 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.376 3.677 3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.713 4.555 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.640 2.519 7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.737 3.904 7.373 1.00 0.00 H new ATOM 543 N LEU A 35 -3.374 -1.845 1.301 1.00 0.00 N ATOM 544 CA LEU A 35 -3.667 -1.917 -0.127 1.00 0.00 C ATOM 545 C LEU A 35 -4.542 -3.129 -0.421 1.00 0.00 C ATOM 546 O LEU A 35 -5.595 -3.012 -1.047 1.00 0.00 O ATOM 547 CB LEU A 35 -2.376 -2.011 -0.943 1.00 0.00 C ATOM 548 CG LEU A 35 -1.480 -0.775 -0.911 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.151 -1.090 -1.571 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.150 0.398 -1.606 1.00 0.00 C ATOM 0 H LEU A 35 -2.387 -1.946 1.537 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.196 -1.007 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.801 -2.863 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.638 -2.220 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.307 -0.496 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.486 -0.206 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.337 -1.904 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.320 -1.387 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.492 1.266 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.352 0.138 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.088 0.632 -1.102 1.00 0.00 H new ATOM 562 N ILE A 36 -4.104 -4.292 0.056 1.00 0.00 N ATOM 563 CA ILE A 36 -4.851 -5.528 -0.140 1.00 0.00 C ATOM 564 C ILE A 36 -6.278 -5.367 0.374 1.00 0.00 C ATOM 565 O ILE A 36 -7.228 -5.873 -0.223 1.00 0.00 O ATOM 566 CB ILE A 36 -4.169 -6.715 0.577 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.870 -7.095 -0.136 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.101 -7.919 0.647 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.964 -7.976 0.695 1.00 0.00 C ATOM 0 H ILE A 36 -3.236 -4.402 0.580 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.872 -5.740 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.935 -6.404 1.595 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.112 -7.610 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.333 -6.186 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.597 -8.740 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.003 -7.650 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.371 -8.229 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.062 -8.207 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.693 -7.455 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.484 -8.902 0.943 1.00 0.00 H new ATOM 581 N LYS A 37 -6.417 -4.640 1.476 1.00 0.00 N ATOM 582 CA LYS A 37 -7.722 -4.387 2.063 1.00 0.00 C ATOM 583 C LYS A 37 -8.491 -3.404 1.194 1.00 0.00 C ATOM 584 O LYS A 37 -9.718 -3.457 1.109 1.00 0.00 O ATOM 585 CB LYS A 37 -7.573 -3.833 3.482 1.00 0.00 C ATOM 586 CG LYS A 37 -8.900 -3.539 4.162 1.00 0.00 C ATOM 587 CD LYS A 37 -9.165 -2.043 4.245 1.00 0.00 C ATOM 588 CE LYS A 37 -8.246 -1.367 5.250 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.495 -0.233 4.643 1.00 0.00 N ATOM 0 H LYS A 37 -5.639 -4.216 1.980 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.273 -5.326 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.015 -4.549 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.982 -2.918 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.707 -4.022 3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.898 -3.965 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.024 -1.593 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.204 -1.872 4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.835 -1.003 6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.541 -2.098 5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.880 0.200 5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.913 -0.584 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.166 0.477 4.288 1.00 0.00 H new ATOM 603 N ASP A 38 -7.753 -2.506 0.548 1.00 0.00 N ATOM 604 CA ASP A 38 -8.355 -1.510 -0.320 1.00 0.00 C ATOM 605 C ASP A 38 -8.909 -2.158 -1.582 1.00 0.00 C ATOM 606 O ASP A 38 -10.033 -1.875 -1.998 1.00 0.00 O ATOM 607 CB ASP A 38 -7.326 -0.440 -0.689 1.00 0.00 C ATOM 608 CG ASP A 38 -7.979 0.853 -1.139 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.199 1.735 -0.283 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.270 0.984 -2.346 1.00 0.00 O ATOM 0 H ASP A 38 -6.736 -2.451 0.612 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.179 -1.041 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.686 -0.242 0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.683 -0.816 -1.485 1.00 0.00 H new ATOM 615 N ASP A 39 -8.112 -3.034 -2.185 1.00 0.00 N ATOM 616 CA ASP A 39 -8.516 -3.731 -3.399 1.00 0.00 C ATOM 617 C ASP A 39 -9.588 -4.773 -3.093 1.00 0.00 C ATOM 618 O ASP A 39 -10.428 -5.080 -3.938 1.00 0.00 O ATOM 619 CB ASP A 39 -7.306 -4.402 -4.052 1.00 0.00 C ATOM 620 CG ASP A 39 -7.660 -5.094 -5.355 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.160 -6.215 -5.586 1.00 0.00 O ATOM 622 OD2 ASP A 39 -8.439 -4.516 -6.141 1.00 0.00 O ATOM 0 H ASP A 39 -7.180 -3.278 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.933 -2.998 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.536 -3.653 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.881 -5.130 -3.361 1.00 0.00 H new ATOM 627 N GLU A 40 -9.550 -5.313 -1.879 1.00 0.00 N ATOM 628 CA GLU A 40 -10.519 -6.321 -1.460 1.00 0.00 C ATOM 629 C GLU A 40 -11.862 -5.686 -1.118 1.00 0.00 C ATOM 630 O GLU A 40 -12.895 -6.354 -1.137 1.00 0.00 O ATOM 631 CB GLU A 40 -9.988 -7.106 -0.260 1.00 0.00 C ATOM 632 CG GLU A 40 -9.226 -8.364 -0.644 1.00 0.00 C ATOM 633 CD GLU A 40 -9.565 -9.546 0.243 1.00 0.00 C ATOM 634 OE1 GLU A 40 -9.122 -9.558 1.411 1.00 0.00 O ATOM 635 OE2 GLU A 40 -10.275 -10.458 -0.229 1.00 0.00 O ATOM 0 H GLU A 40 -8.860 -5.070 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.669 -7.007 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.334 -6.460 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.824 -7.380 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.449 -8.617 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.155 -8.167 -0.587 1.00 0.00 H new