USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 466 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 1 GLY N :NH3+ -137:sc= 0.0703 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 39:sc= 0.591 USER MOD Single : A 11 TYR OH : rot 110:sc= 0.0867 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 166:sc= 0.261 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0833 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00334 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0334 K(o=-0.033,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= -2.37 (180deg=-4.15!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0186 USER MOD Single : A 46 SER OG : rot -7:sc= 1.02 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -117:sc= 0.918 USER MOD Single : A 57 ASN : amide:sc= 0.00133 X(o=0.0013,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -2.53! (180deg=-3.52!) USER MOD Single : A 64 SER OG : rot 46:sc= 0.498 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.239 10.287 -21.976 1.00 0.00 N ATOM 2 CA GLY A 1 14.390 9.265 -21.388 1.00 0.00 C ATOM 3 C GLY A 1 14.415 9.343 -19.860 1.00 0.00 C ATOM 4 O GLY A 1 14.716 10.392 -19.294 1.00 0.00 O ATOM 0 H1 GLY A 1 14.750 10.721 -22.785 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.447 11.017 -21.265 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.128 9.856 -22.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.367 9.387 -21.745 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.725 8.279 -21.711 1.00 0.00 H new ATOM 8 N SER A 2 14.094 8.219 -19.237 1.00 0.00 N ATOM 9 CA SER A 2 14.075 8.147 -17.786 1.00 0.00 C ATOM 10 C SER A 2 14.840 6.909 -17.313 1.00 0.00 C ATOM 11 O SER A 2 14.985 5.942 -18.060 1.00 0.00 O ATOM 12 CB SER A 2 12.641 8.120 -17.254 1.00 0.00 C ATOM 13 OG SER A 2 12.455 9.029 -16.172 1.00 0.00 O ATOM 0 H SER A 2 13.845 7.351 -19.710 1.00 0.00 H new ATOM 0 HA SER A 2 14.562 9.039 -17.393 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.951 8.370 -18.060 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.395 7.110 -16.925 1.00 0.00 H new ATOM 0 HG SER A 2 11.526 8.983 -15.862 1.00 0.00 H new ATOM 19 N SER A 3 15.309 6.978 -16.076 1.00 0.00 N ATOM 20 CA SER A 3 16.055 5.875 -15.496 1.00 0.00 C ATOM 21 C SER A 3 15.219 5.191 -14.412 1.00 0.00 C ATOM 22 O SER A 3 14.387 5.830 -13.769 1.00 0.00 O ATOM 23 CB SER A 3 17.387 6.355 -14.915 1.00 0.00 C ATOM 24 OG SER A 3 18.490 5.996 -15.743 1.00 0.00 O ATOM 0 H SER A 3 15.187 7.781 -15.459 1.00 0.00 H new ATOM 0 HA SER A 3 16.273 5.157 -16.286 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.361 7.438 -14.795 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.525 5.927 -13.922 1.00 0.00 H new ATOM 0 HG SER A 3 19.322 6.321 -15.339 1.00 0.00 H new ATOM 30 N GLY A 4 15.470 3.901 -14.241 1.00 0.00 N ATOM 31 CA GLY A 4 14.751 3.124 -13.246 1.00 0.00 C ATOM 32 C GLY A 4 13.241 3.192 -13.483 1.00 0.00 C ATOM 33 O GLY A 4 12.522 3.860 -12.741 1.00 0.00 O ATOM 0 H GLY A 4 16.161 3.375 -14.775 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.082 2.086 -13.281 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.983 3.499 -12.249 1.00 0.00 H new ATOM 37 N SER A 5 12.805 2.492 -14.520 1.00 0.00 N ATOM 38 CA SER A 5 11.394 2.464 -14.865 1.00 0.00 C ATOM 39 C SER A 5 10.584 1.880 -13.706 1.00 0.00 C ATOM 40 O SER A 5 9.704 2.544 -13.161 1.00 0.00 O ATOM 41 CB SER A 5 11.154 1.656 -16.141 1.00 0.00 C ATOM 42 OG SER A 5 10.566 2.446 -17.171 1.00 0.00 O ATOM 0 H SER A 5 13.405 1.940 -15.133 1.00 0.00 H new ATOM 0 HA SER A 5 11.067 3.487 -15.050 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.100 1.246 -16.494 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.504 0.810 -15.917 1.00 0.00 H new ATOM 0 HG SER A 5 10.430 1.894 -17.969 1.00 0.00 H new ATOM 48 N SER A 6 10.910 0.642 -13.363 1.00 0.00 N ATOM 49 CA SER A 6 10.224 -0.040 -12.279 1.00 0.00 C ATOM 50 C SER A 6 10.520 0.659 -10.951 1.00 0.00 C ATOM 51 O SER A 6 11.628 0.558 -10.426 1.00 0.00 O ATOM 52 CB SER A 6 10.634 -1.512 -12.207 1.00 0.00 C ATOM 53 OG SER A 6 12.036 -1.667 -12.005 1.00 0.00 O ATOM 0 H SER A 6 11.640 0.094 -13.817 1.00 0.00 H new ATOM 0 HA SER A 6 9.152 0.001 -12.473 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.095 -1.999 -11.395 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.343 -2.015 -13.129 1.00 0.00 H new ATOM 0 HG SER A 6 12.354 -0.983 -11.380 1.00 0.00 H new ATOM 59 N GLY A 7 9.510 1.352 -10.445 1.00 0.00 N ATOM 60 CA GLY A 7 9.649 2.067 -9.188 1.00 0.00 C ATOM 61 C GLY A 7 8.378 1.946 -8.345 1.00 0.00 C ATOM 62 O GLY A 7 7.375 2.598 -8.631 1.00 0.00 O ATOM 0 H GLY A 7 8.592 1.433 -10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.498 1.670 -8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.860 3.118 -9.385 1.00 0.00 H new ATOM 66 N GLY A 8 8.461 1.106 -7.324 1.00 0.00 N ATOM 67 CA GLY A 8 7.329 0.891 -6.437 1.00 0.00 C ATOM 68 C GLY A 8 7.705 -0.043 -5.286 1.00 0.00 C ATOM 69 O GLY A 8 8.545 -0.927 -5.447 1.00 0.00 O ATOM 0 H GLY A 8 9.294 0.566 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.988 1.846 -6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.498 0.465 -6.999 1.00 0.00 H new ATOM 73 N GLU A 9 7.065 0.184 -4.148 1.00 0.00 N ATOM 74 CA GLU A 9 7.321 -0.626 -2.970 1.00 0.00 C ATOM 75 C GLU A 9 6.047 -1.357 -2.541 1.00 0.00 C ATOM 76 O GLU A 9 5.017 -0.728 -2.304 1.00 0.00 O ATOM 77 CB GLU A 9 7.875 0.227 -1.827 1.00 0.00 C ATOM 78 CG GLU A 9 9.404 0.199 -1.813 1.00 0.00 C ATOM 79 CD GLU A 9 9.947 0.600 -0.440 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.501 -0.020 0.550 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.797 1.516 -0.411 1.00 0.00 O ATOM 0 H GLU A 9 6.369 0.918 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 9 8.076 -1.370 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.528 1.255 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.492 -0.141 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.755 -0.800 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.791 0.878 -2.573 1.00 0.00 H new ATOM 88 N GLU A 10 6.159 -2.674 -2.455 1.00 0.00 N ATOM 89 CA GLU A 10 5.029 -3.497 -2.059 1.00 0.00 C ATOM 90 C GLU A 10 4.779 -3.367 -0.555 1.00 0.00 C ATOM 91 O GLU A 10 5.719 -3.382 0.238 1.00 0.00 O ATOM 92 CB GLU A 10 5.250 -4.959 -2.453 1.00 0.00 C ATOM 93 CG GLU A 10 5.140 -5.140 -3.968 1.00 0.00 C ATOM 94 CD GLU A 10 6.496 -4.932 -4.646 1.00 0.00 C ATOM 95 OE1 GLU A 10 7.496 -5.416 -4.074 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.501 -4.295 -5.721 1.00 0.00 O ATOM 0 H GLU A 10 7.015 -3.192 -2.653 1.00 0.00 H new ATOM 0 HA GLU A 10 4.144 -3.142 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.233 -5.286 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.515 -5.589 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.767 -6.139 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.416 -4.432 -4.371 1.00 0.00 H new ATOM 103 N TYR A 11 3.507 -3.243 -0.207 1.00 0.00 N ATOM 104 CA TYR A 11 3.121 -3.110 1.187 1.00 0.00 C ATOM 105 C TYR A 11 1.838 -3.891 1.478 1.00 0.00 C ATOM 106 O TYR A 11 0.971 -4.011 0.614 1.00 0.00 O ATOM 107 CB TYR A 11 2.859 -1.620 1.412 1.00 0.00 C ATOM 108 CG TYR A 11 4.076 -0.843 1.918 1.00 0.00 C ATOM 109 CD1 TYR A 11 5.003 -0.353 1.021 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.248 -0.634 3.271 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.149 0.378 1.497 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.394 0.097 3.747 1.00 0.00 C ATOM 113 CZ TYR A 11 6.288 0.567 2.836 1.00 0.00 C ATOM 114 OH TYR A 11 7.370 1.257 3.286 1.00 0.00 O ATOM 0 H TYR A 11 2.730 -3.232 -0.867 1.00 0.00 H new ATOM 0 HA TYR A 11 3.902 -3.500 1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.521 -1.176 0.476 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.046 -1.509 2.129 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.869 -0.518 -0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.523 -1.019 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.882 0.767 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.540 0.268 4.803 1.00 0.00 H new ATOM 0 HH TYR A 11 7.081 2.125 3.637 1.00 0.00 H new ATOM 124 N ILE A 12 1.758 -4.402 2.698 1.00 0.00 N ATOM 125 CA ILE A 12 0.595 -5.169 3.113 1.00 0.00 C ATOM 126 C ILE A 12 -0.285 -4.302 4.016 1.00 0.00 C ATOM 127 O ILE A 12 0.208 -3.674 4.952 1.00 0.00 O ATOM 128 CB ILE A 12 1.025 -6.488 3.757 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.929 -7.289 2.817 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.190 -7.298 4.212 1.00 0.00 C ATOM 131 CD1 ILE A 12 1.114 -8.288 1.993 1.00 0.00 C ATOM 0 H ILE A 12 2.479 -4.300 3.412 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.008 -5.445 2.248 1.00 0.00 H new ATOM 0 HB ILE A 12 1.610 -6.258 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.460 -6.609 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.683 -7.820 3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.144 -8.231 4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.759 -6.722 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.823 -7.519 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.780 -8.844 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.604 -8.981 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.377 -7.751 1.396 1.00 0.00 H new ATOM 143 N ALA A 13 -1.573 -4.296 3.704 1.00 0.00 N ATOM 144 CA ALA A 13 -2.526 -3.517 4.475 1.00 0.00 C ATOM 145 C ALA A 13 -2.738 -4.182 5.837 1.00 0.00 C ATOM 146 O ALA A 13 -3.220 -5.311 5.912 1.00 0.00 O ATOM 147 CB ALA A 13 -3.829 -3.378 3.685 1.00 0.00 C ATOM 0 H ALA A 13 -1.978 -4.819 2.927 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.145 -2.512 4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.545 -2.793 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.629 -2.874 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.243 -4.367 3.489 1.00 0.00 H new ATOM 153 N LEU A 14 -2.368 -3.453 6.879 1.00 0.00 N ATOM 154 CA LEU A 14 -2.512 -3.958 8.234 1.00 0.00 C ATOM 155 C LEU A 14 -3.983 -3.885 8.647 1.00 0.00 C ATOM 156 O LEU A 14 -4.551 -4.874 9.108 1.00 0.00 O ATOM 157 CB LEU A 14 -1.569 -3.217 9.185 1.00 0.00 C ATOM 158 CG LEU A 14 -0.079 -3.528 9.029 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.780 -2.378 9.559 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.275 -4.860 9.693 1.00 0.00 C ATOM 0 H LEU A 14 -1.969 -2.517 6.813 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.218 -5.006 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.713 -2.146 9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.863 -3.448 10.209 1.00 0.00 H new ATOM 0 HG LEU A 14 0.139 -3.629 7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.835 -2.625 9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.553 -1.468 9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.565 -2.220 10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.340 -5.057 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.038 -4.811 10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.300 -5.662 9.229 1.00 0.00 H new ATOM 172 N TYR A 15 -4.558 -2.706 8.467 1.00 0.00 N ATOM 173 CA TYR A 15 -5.952 -2.492 8.815 1.00 0.00 C ATOM 174 C TYR A 15 -6.738 -1.943 7.622 1.00 0.00 C ATOM 175 O TYR A 15 -6.166 -1.308 6.737 1.00 0.00 O ATOM 176 CB TYR A 15 -5.952 -1.448 9.934 1.00 0.00 C ATOM 177 CG TYR A 15 -4.826 -1.628 10.954 1.00 0.00 C ATOM 178 CD1 TYR A 15 -5.025 -2.414 12.071 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.610 -1.006 10.756 1.00 0.00 C ATOM 180 CE1 TYR A 15 -3.965 -2.584 13.030 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.549 -1.176 11.715 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.779 -1.957 12.805 1.00 0.00 C ATOM 183 OH TYR A 15 -1.778 -2.117 13.711 1.00 0.00 O ATOM 0 H TYR A 15 -4.084 -1.888 8.084 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.420 -3.429 9.117 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.871 -0.455 9.491 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.909 -1.488 10.454 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.976 -2.902 12.226 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.454 -0.392 9.882 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.108 -3.196 13.908 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.593 -0.695 11.572 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.990 -1.613 13.420 1.00 0.00 H new ATOM 193 N PRO A 16 -8.070 -2.214 7.638 1.00 0.00 N ATOM 194 CA PRO A 16 -8.940 -1.755 6.568 1.00 0.00 C ATOM 195 C PRO A 16 -9.209 -0.254 6.687 1.00 0.00 C ATOM 196 O PRO A 16 -9.940 0.181 7.576 1.00 0.00 O ATOM 197 CB PRO A 16 -10.199 -2.597 6.696 1.00 0.00 C ATOM 198 CG PRO A 16 -10.178 -3.166 8.105 1.00 0.00 C ATOM 199 CD PRO A 16 -8.781 -2.963 8.669 1.00 0.00 C ATOM 0 HA PRO A 16 -8.494 -1.878 5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.091 -1.993 6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.213 -3.394 5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.918 -2.666 8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.435 -4.225 8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.810 -2.413 9.609 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.294 -3.917 8.873 1.00 0.00 H new ATOM 207 N TYR A 17 -8.605 0.497 5.778 1.00 0.00 N ATOM 208 CA TYR A 17 -8.770 1.941 5.770 1.00 0.00 C ATOM 209 C TYR A 17 -9.770 2.372 4.695 1.00 0.00 C ATOM 210 O TYR A 17 -9.525 2.185 3.504 1.00 0.00 O ATOM 211 CB TYR A 17 -7.395 2.521 5.434 1.00 0.00 C ATOM 212 CG TYR A 17 -7.340 4.050 5.469 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.262 4.710 6.679 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.367 4.769 4.291 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.210 6.148 6.712 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.314 6.208 4.325 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.238 6.826 5.533 1.00 0.00 C ATOM 218 OH TYR A 17 -7.189 8.185 5.565 1.00 0.00 O ATOM 0 H TYR A 17 -8.000 0.133 5.042 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.146 2.290 6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.663 2.125 6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.100 2.179 4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.240 4.147 7.601 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.428 4.253 3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.150 6.677 7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.334 6.783 3.411 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.992 8.526 4.668 1.00 0.00 H new ATOM 228 N SER A 18 -10.875 2.942 5.153 1.00 0.00 N ATOM 229 CA SER A 18 -11.912 3.401 4.246 1.00 0.00 C ATOM 230 C SER A 18 -12.181 4.891 4.469 1.00 0.00 C ATOM 231 O SER A 18 -12.039 5.391 5.584 1.00 0.00 O ATOM 232 CB SER A 18 -13.200 2.596 4.428 1.00 0.00 C ATOM 233 OG SER A 18 -14.058 2.696 3.295 1.00 0.00 O ATOM 0 H SER A 18 -11.074 3.096 6.141 1.00 0.00 H new ATOM 0 HA SER A 18 -11.563 3.250 3.224 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.951 1.549 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.727 2.951 5.314 1.00 0.00 H new ATOM 0 HG SER A 18 -14.868 2.167 3.450 1.00 0.00 H new ATOM 239 N SER A 19 -12.564 5.558 3.390 1.00 0.00 N ATOM 240 CA SER A 19 -12.854 6.981 3.455 1.00 0.00 C ATOM 241 C SER A 19 -13.494 7.444 2.144 1.00 0.00 C ATOM 242 O SER A 19 -13.049 7.063 1.063 1.00 0.00 O ATOM 243 CB SER A 19 -11.587 7.789 3.741 1.00 0.00 C ATOM 244 OG SER A 19 -11.866 8.977 4.476 1.00 0.00 O ATOM 0 H SER A 19 -12.680 5.140 2.467 1.00 0.00 H new ATOM 0 HA SER A 19 -13.553 7.151 4.274 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.883 7.173 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.103 8.050 2.800 1.00 0.00 H new ATOM 0 HG SER A 19 -11.031 9.464 4.640 1.00 0.00 H new ATOM 250 N VAL A 20 -14.529 8.260 2.284 1.00 0.00 N ATOM 251 CA VAL A 20 -15.234 8.779 1.125 1.00 0.00 C ATOM 252 C VAL A 20 -14.483 9.994 0.578 1.00 0.00 C ATOM 253 O VAL A 20 -15.071 11.059 0.390 1.00 0.00 O ATOM 254 CB VAL A 20 -16.687 9.089 1.493 1.00 0.00 C ATOM 255 CG1 VAL A 20 -17.437 7.815 1.886 1.00 0.00 C ATOM 256 CG2 VAL A 20 -16.759 10.135 2.607 1.00 0.00 C ATOM 0 H VAL A 20 -14.896 8.574 3.182 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.266 8.033 0.331 1.00 0.00 H new ATOM 0 HB VAL A 20 -17.175 9.505 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -18.467 8.064 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -17.430 7.116 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.949 7.356 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -17.802 10.337 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -16.247 9.759 3.493 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -16.279 11.055 2.274 1.00 0.00 H new ATOM 266 N GLU A 21 -13.195 9.795 0.339 1.00 0.00 N ATOM 267 CA GLU A 21 -12.358 10.862 -0.183 1.00 0.00 C ATOM 268 C GLU A 21 -11.836 10.495 -1.574 1.00 0.00 C ATOM 269 O GLU A 21 -11.185 9.465 -1.745 1.00 0.00 O ATOM 270 CB GLU A 21 -11.203 11.169 0.773 1.00 0.00 C ATOM 271 CG GLU A 21 -11.703 11.900 2.020 1.00 0.00 C ATOM 272 CD GLU A 21 -10.546 12.571 2.764 1.00 0.00 C ATOM 273 OE1 GLU A 21 -10.236 13.728 2.406 1.00 0.00 O ATOM 274 OE2 GLU A 21 -9.998 11.911 3.673 1.00 0.00 O ATOM 0 H GLU A 21 -12.711 8.911 0.497 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.964 11.764 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.711 10.241 1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.457 11.779 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.440 12.650 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.205 11.195 2.682 1.00 0.00 H new ATOM 281 N PRO A 22 -12.148 11.381 -2.557 1.00 0.00 N ATOM 282 CA PRO A 22 -11.718 11.161 -3.927 1.00 0.00 C ATOM 283 C PRO A 22 -10.225 11.456 -4.087 1.00 0.00 C ATOM 284 O PRO A 22 -9.829 12.209 -4.976 1.00 0.00 O ATOM 285 CB PRO A 22 -12.597 12.073 -4.767 1.00 0.00 C ATOM 286 CG PRO A 22 -13.163 13.106 -3.807 1.00 0.00 C ATOM 287 CD PRO A 22 -12.916 12.612 -2.391 1.00 0.00 C ATOM 0 HA PRO A 22 -11.829 10.123 -4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.020 12.551 -5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.396 11.510 -5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -12.685 14.073 -3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.230 13.245 -3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.364 13.347 -1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.854 12.426 -1.867 1.00 0.00 H new ATOM 295 N GLY A 23 -9.437 10.849 -3.212 1.00 0.00 N ATOM 296 CA GLY A 23 -7.996 11.037 -3.246 1.00 0.00 C ATOM 297 C GLY A 23 -7.280 9.921 -2.484 1.00 0.00 C ATOM 298 O GLY A 23 -6.249 9.421 -2.932 1.00 0.00 O ATOM 0 H GLY A 23 -9.769 10.227 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.652 11.055 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.741 12.002 -2.809 1.00 0.00 H new ATOM 302 N ASP A 24 -7.854 9.562 -1.345 1.00 0.00 N ATOM 303 CA ASP A 24 -7.283 8.514 -0.517 1.00 0.00 C ATOM 304 C ASP A 24 -7.603 7.151 -1.134 1.00 0.00 C ATOM 305 O ASP A 24 -8.729 6.911 -1.569 1.00 0.00 O ATOM 306 CB ASP A 24 -7.873 8.544 0.895 1.00 0.00 C ATOM 307 CG ASP A 24 -7.314 9.639 1.806 1.00 0.00 C ATOM 308 OD1 ASP A 24 -7.583 10.821 1.503 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.630 9.269 2.784 1.00 0.00 O ATOM 0 H ASP A 24 -8.709 9.979 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.207 8.677 -0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.953 8.672 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.699 7.577 1.366 1.00 0.00 H new ATOM 314 N LEU A 25 -6.594 6.293 -1.152 1.00 0.00 N ATOM 315 CA LEU A 25 -6.754 4.960 -1.708 1.00 0.00 C ATOM 316 C LEU A 25 -7.432 4.059 -0.674 1.00 0.00 C ATOM 317 O LEU A 25 -6.824 3.695 0.331 1.00 0.00 O ATOM 318 CB LEU A 25 -5.411 4.423 -2.206 1.00 0.00 C ATOM 319 CG LEU A 25 -5.459 3.092 -2.960 1.00 0.00 C ATOM 320 CD1 LEU A 25 -5.908 3.298 -4.408 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.115 2.365 -2.875 1.00 0.00 C ATOM 0 H LEU A 25 -5.662 6.495 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.404 4.987 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.962 5.172 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.747 4.309 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.201 2.454 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.934 2.337 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.903 3.743 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.208 3.962 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.176 1.422 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.336 2.988 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.874 2.166 -1.831 1.00 0.00 H new ATOM 333 N THR A 26 -8.682 3.724 -0.958 1.00 0.00 N ATOM 334 CA THR A 26 -9.449 2.872 -0.065 1.00 0.00 C ATOM 335 C THR A 26 -9.053 1.407 -0.255 1.00 0.00 C ATOM 336 O THR A 26 -8.907 0.941 -1.385 1.00 0.00 O ATOM 337 CB THR A 26 -10.935 3.138 -0.318 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.058 3.097 -1.738 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.345 4.565 0.051 1.00 0.00 C ATOM 0 H THR A 26 -9.183 4.027 -1.793 1.00 0.00 H new ATOM 0 HA THR A 26 -9.236 3.100 0.979 1.00 0.00 H new ATOM 0 HB THR A 26 -11.534 2.429 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.991 3.258 -1.990 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.408 4.701 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.149 4.738 1.109 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.771 5.274 -0.545 1.00 0.00 H new ATOM 347 N PHE A 27 -8.891 0.720 0.866 1.00 0.00 N ATOM 348 CA PHE A 27 -8.515 -0.683 0.837 1.00 0.00 C ATOM 349 C PHE A 27 -8.906 -1.383 2.141 1.00 0.00 C ATOM 350 O PHE A 27 -9.406 -0.745 3.066 1.00 0.00 O ATOM 351 CB PHE A 27 -6.994 -0.735 0.681 1.00 0.00 C ATOM 352 CG PHE A 27 -6.234 0.106 1.708 1.00 0.00 C ATOM 353 CD1 PHE A 27 -6.152 -0.309 3.001 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.639 1.269 1.329 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.447 0.471 3.954 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.934 2.050 2.283 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.852 1.634 3.575 1.00 0.00 C ATOM 0 H PHE A 27 -9.013 1.109 1.801 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.026 -1.188 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.666 -1.771 0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.730 -0.394 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.624 -1.233 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.703 1.599 0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.383 0.141 4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.463 2.974 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.314 2.227 4.300 1.00 0.00 H new ATOM 367 N THR A 28 -8.663 -2.685 2.172 1.00 0.00 N ATOM 368 CA THR A 28 -8.984 -3.478 3.346 1.00 0.00 C ATOM 369 C THR A 28 -7.727 -4.162 3.887 1.00 0.00 C ATOM 370 O THR A 28 -6.681 -4.147 3.241 1.00 0.00 O ATOM 371 CB THR A 28 -10.094 -4.459 2.965 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.758 -4.867 1.642 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.453 -3.775 2.810 1.00 0.00 C ATOM 0 H THR A 28 -8.248 -3.210 1.403 1.00 0.00 H new ATOM 0 HA THR A 28 -9.350 -2.851 4.159 1.00 0.00 H new ATOM 0 HB THR A 28 -10.165 -5.238 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.426 -5.506 1.317 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.205 -4.516 2.539 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.732 -3.303 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.392 -3.018 2.028 1.00 0.00 H new ATOM 381 N GLU A 29 -7.871 -4.746 5.068 1.00 0.00 N ATOM 382 CA GLU A 29 -6.761 -5.434 5.703 1.00 0.00 C ATOM 383 C GLU A 29 -6.410 -6.705 4.926 1.00 0.00 C ATOM 384 O GLU A 29 -7.267 -7.559 4.707 1.00 0.00 O ATOM 385 CB GLU A 29 -7.078 -5.755 7.165 1.00 0.00 C ATOM 386 CG GLU A 29 -6.194 -6.892 7.681 1.00 0.00 C ATOM 387 CD GLU A 29 -6.967 -8.212 7.722 1.00 0.00 C ATOM 388 OE1 GLU A 29 -8.090 -8.195 8.271 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.418 -9.208 7.204 1.00 0.00 O ATOM 0 H GLU A 29 -8.740 -4.756 5.601 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.895 -4.773 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.927 -4.866 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.127 -6.034 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.320 -6.998 7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.829 -6.649 8.679 1.00 0.00 H new ATOM 396 N GLY A 30 -5.148 -6.790 4.532 1.00 0.00 N ATOM 397 CA GLY A 30 -4.673 -7.942 3.784 1.00 0.00 C ATOM 398 C GLY A 30 -4.339 -7.560 2.341 1.00 0.00 C ATOM 399 O GLY A 30 -3.436 -8.136 1.736 1.00 0.00 O ATOM 0 H GLY A 30 -4.440 -6.080 4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.788 -8.355 4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.434 -8.723 3.790 1.00 0.00 H new ATOM 403 N GLU A 31 -5.084 -6.590 1.832 1.00 0.00 N ATOM 404 CA GLU A 31 -4.877 -6.123 0.471 1.00 0.00 C ATOM 405 C GLU A 31 -3.411 -5.743 0.257 1.00 0.00 C ATOM 406 O GLU A 31 -2.696 -5.449 1.214 1.00 0.00 O ATOM 407 CB GLU A 31 -5.801 -4.947 0.149 1.00 0.00 C ATOM 408 CG GLU A 31 -7.115 -5.435 -0.465 1.00 0.00 C ATOM 409 CD GLU A 31 -7.007 -5.533 -1.988 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.931 -4.459 -2.622 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.002 -6.681 -2.483 1.00 0.00 O ATOM 0 H GLU A 31 -5.832 -6.114 2.337 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.125 -6.935 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.008 -4.383 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.303 -4.267 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.373 -6.410 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.921 -4.752 -0.197 1.00 0.00 H new ATOM 418 N GLU A 32 -3.006 -5.762 -1.004 1.00 0.00 N ATOM 419 CA GLU A 32 -1.637 -5.423 -1.356 1.00 0.00 C ATOM 420 C GLU A 32 -1.592 -4.069 -2.067 1.00 0.00 C ATOM 421 O GLU A 32 -1.970 -3.963 -3.232 1.00 0.00 O ATOM 422 CB GLU A 32 -1.006 -6.517 -2.220 1.00 0.00 C ATOM 423 CG GLU A 32 0.073 -7.275 -1.443 1.00 0.00 C ATOM 424 CD GLU A 32 0.562 -8.492 -2.230 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.691 -8.355 -3.466 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.795 -9.533 -1.578 1.00 0.00 O ATOM 0 H GLU A 32 -3.602 -6.007 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.054 -5.349 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.777 -7.213 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.570 -6.073 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.912 -6.610 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.325 -7.596 -0.480 1.00 0.00 H new ATOM 433 N ILE A 33 -1.126 -3.068 -1.335 1.00 0.00 N ATOM 434 CA ILE A 33 -1.026 -1.725 -1.881 1.00 0.00 C ATOM 435 C ILE A 33 0.380 -1.512 -2.445 1.00 0.00 C ATOM 436 O ILE A 33 1.372 -1.742 -1.754 1.00 0.00 O ATOM 437 CB ILE A 33 -1.432 -0.689 -0.831 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.870 -0.917 -0.362 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.218 0.734 -1.354 1.00 0.00 C ATOM 440 CD1 ILE A 33 -3.004 -0.658 1.140 1.00 0.00 C ATOM 0 H ILE A 33 -0.813 -3.160 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.724 -1.596 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.787 -0.813 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.544 -0.258 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.172 -1.940 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.514 1.451 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.165 0.878 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.822 0.888 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.036 -0.827 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.347 -1.335 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.725 0.373 1.358 1.00 0.00 H new ATOM 452 N LEU A 34 0.422 -1.073 -3.694 1.00 0.00 N ATOM 453 CA LEU A 34 1.690 -0.826 -4.359 1.00 0.00 C ATOM 454 C LEU A 34 2.007 0.670 -4.303 1.00 0.00 C ATOM 455 O LEU A 34 1.386 1.466 -5.004 1.00 0.00 O ATOM 456 CB LEU A 34 1.672 -1.398 -5.778 1.00 0.00 C ATOM 457 CG LEU A 34 2.856 -1.018 -6.669 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.185 -1.297 -5.965 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.768 -1.719 -8.026 1.00 0.00 C ATOM 0 H LEU A 34 -0.402 -0.882 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 34 2.498 -1.344 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.628 -2.485 -5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.755 -1.072 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 34 2.811 0.055 -6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.010 -1.018 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.239 -0.714 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.255 -2.358 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.622 -1.432 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.774 -2.799 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.845 -1.426 -8.527 1.00 0.00 H new ATOM 471 N VAL A 35 2.974 1.006 -3.462 1.00 0.00 N ATOM 472 CA VAL A 35 3.381 2.392 -3.305 1.00 0.00 C ATOM 473 C VAL A 35 4.426 2.735 -4.369 1.00 0.00 C ATOM 474 O VAL A 35 5.449 2.062 -4.480 1.00 0.00 O ATOM 475 CB VAL A 35 3.879 2.633 -1.878 1.00 0.00 C ATOM 476 CG1 VAL A 35 3.980 4.130 -1.579 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.982 1.929 -0.859 1.00 0.00 C ATOM 0 H VAL A 35 3.488 0.342 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 35 2.532 3.059 -3.455 1.00 0.00 H new ATOM 0 HB VAL A 35 4.879 2.207 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.336 4.274 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.678 4.594 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.998 4.590 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.358 2.116 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.965 2.312 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.983 0.856 -1.053 1.00 0.00 H new ATOM 487 N THR A 36 4.132 3.784 -5.124 1.00 0.00 N ATOM 488 CA THR A 36 5.034 4.225 -6.175 1.00 0.00 C ATOM 489 C THR A 36 5.612 5.601 -5.839 1.00 0.00 C ATOM 490 O THR A 36 6.674 5.970 -6.337 1.00 0.00 O ATOM 491 CB THR A 36 4.267 4.195 -7.499 1.00 0.00 C ATOM 492 OG1 THR A 36 3.298 5.231 -7.363 1.00 0.00 O ATOM 493 CG2 THR A 36 3.432 2.924 -7.663 1.00 0.00 C ATOM 0 H THR A 36 3.283 4.341 -5.029 1.00 0.00 H new ATOM 0 HA THR A 36 5.893 3.560 -6.265 1.00 0.00 H new ATOM 0 HB THR A 36 4.971 4.277 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.757 5.282 -8.179 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.908 2.953 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.086 2.053 -7.635 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.706 2.859 -6.853 1.00 0.00 H new ATOM 501 N GLN A 37 4.887 6.322 -4.996 1.00 0.00 N ATOM 502 CA GLN A 37 5.315 7.649 -4.588 1.00 0.00 C ATOM 503 C GLN A 37 5.108 7.834 -3.083 1.00 0.00 C ATOM 504 O GLN A 37 4.033 7.544 -2.561 1.00 0.00 O ATOM 505 CB GLN A 37 4.578 8.731 -5.379 1.00 0.00 C ATOM 506 CG GLN A 37 5.527 9.449 -6.340 1.00 0.00 C ATOM 507 CD GLN A 37 4.748 10.190 -7.429 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.574 9.951 -7.660 1.00 0.00 O ATOM 509 NE2 GLN A 37 5.464 11.100 -8.083 1.00 0.00 N ATOM 0 H GLN A 37 4.006 6.012 -4.585 1.00 0.00 H new ATOM 0 HA GLN A 37 6.379 7.748 -4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.758 8.282 -5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.137 9.452 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.145 10.155 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.202 8.726 -6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.443 11.250 -7.839 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.034 11.648 -8.828 1.00 0.00 H new ATOM 518 N LYS A 38 6.155 8.315 -2.428 1.00 0.00 N ATOM 519 CA LYS A 38 6.101 8.541 -0.994 1.00 0.00 C ATOM 520 C LYS A 38 6.230 10.040 -0.714 1.00 0.00 C ATOM 521 O LYS A 38 7.327 10.593 -0.767 1.00 0.00 O ATOM 522 CB LYS A 38 7.151 7.690 -0.277 1.00 0.00 C ATOM 523 CG LYS A 38 6.887 6.198 -0.493 1.00 0.00 C ATOM 524 CD LYS A 38 7.703 5.350 0.484 1.00 0.00 C ATOM 525 CE LYS A 38 7.538 3.858 0.185 1.00 0.00 C ATOM 526 NZ LYS A 38 8.807 3.287 -0.318 1.00 0.00 N ATOM 0 H LYS A 38 7.045 8.554 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 38 5.138 8.222 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.145 7.944 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.140 7.914 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.825 5.990 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.141 5.925 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.756 5.624 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.384 5.557 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.228 3.332 1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.750 3.714 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.607 2.630 -1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.421 4.054 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.286 2.775 0.450 1.00 0.00 H new ATOM 540 N ASP A 39 5.093 10.655 -0.421 1.00 0.00 N ATOM 541 CA ASP A 39 5.065 12.078 -0.133 1.00 0.00 C ATOM 542 C ASP A 39 5.003 12.286 1.382 1.00 0.00 C ATOM 543 O ASP A 39 3.951 12.107 1.994 1.00 0.00 O ATOM 544 CB ASP A 39 3.833 12.741 -0.752 1.00 0.00 C ATOM 545 CG ASP A 39 4.068 14.144 -1.315 1.00 0.00 C ATOM 546 OD1 ASP A 39 4.619 14.974 -0.560 1.00 0.00 O ATOM 547 OD2 ASP A 39 3.691 14.355 -2.488 1.00 0.00 O ATOM 0 H ASP A 39 4.185 10.193 -0.377 1.00 0.00 H new ATOM 0 HA ASP A 39 5.965 12.525 -0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.459 12.103 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.050 12.796 0.004 1.00 0.00 H new ATOM 552 N GLY A 40 6.143 12.661 1.943 1.00 0.00 N ATOM 553 CA GLY A 40 6.232 12.895 3.374 1.00 0.00 C ATOM 554 C GLY A 40 5.776 11.664 4.160 1.00 0.00 C ATOM 555 O GLY A 40 6.385 10.600 4.062 1.00 0.00 O ATOM 0 H GLY A 40 7.013 12.809 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.259 13.142 3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.616 13.753 3.645 1.00 0.00 H new ATOM 559 N GLU A 41 4.708 11.850 4.922 1.00 0.00 N ATOM 560 CA GLU A 41 4.163 10.768 5.724 1.00 0.00 C ATOM 561 C GLU A 41 3.064 10.036 4.952 1.00 0.00 C ATOM 562 O GLU A 41 2.856 8.839 5.146 1.00 0.00 O ATOM 563 CB GLU A 41 3.640 11.289 7.064 1.00 0.00 C ATOM 564 CG GLU A 41 4.708 12.108 7.790 1.00 0.00 C ATOM 565 CD GLU A 41 5.095 11.453 9.117 1.00 0.00 C ATOM 566 OE1 GLU A 41 5.777 10.407 9.056 1.00 0.00 O ATOM 567 OE2 GLU A 41 4.700 12.012 10.162 1.00 0.00 O ATOM 0 H GLU A 41 4.206 12.734 5.001 1.00 0.00 H new ATOM 0 HA GLU A 41 4.964 10.059 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.755 11.904 6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.333 10.451 7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.590 12.204 7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.336 13.116 7.973 1.00 0.00 H new ATOM 574 N TRP A 42 2.388 10.786 4.094 1.00 0.00 N ATOM 575 CA TRP A 42 1.314 10.224 3.293 1.00 0.00 C ATOM 576 C TRP A 42 1.909 9.771 1.957 1.00 0.00 C ATOM 577 O TRP A 42 2.278 10.599 1.126 1.00 0.00 O ATOM 578 CB TRP A 42 0.170 11.226 3.128 1.00 0.00 C ATOM 579 CG TRP A 42 -0.705 11.381 4.373 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.464 12.119 5.465 1.00 0.00 C ATOM 581 CD2 TRP A 42 -1.981 10.748 4.612 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.486 12.010 6.386 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.438 11.150 5.850 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.724 9.867 3.807 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.654 10.720 6.395 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -3.936 9.446 4.366 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.411 9.841 5.611 1.00 0.00 C ATOM 0 H TRP A 42 2.563 11.778 3.936 1.00 0.00 H new ATOM 0 HA TRP A 42 0.874 9.360 3.790 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.587 12.198 2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.456 10.913 2.293 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.420 12.724 5.607 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.534 12.475 7.293 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.386 9.541 2.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.990 11.049 7.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.545 8.766 3.789 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.360 9.472 5.972 1.00 0.00 H new ATOM 598 N TRP A 43 1.983 8.458 1.794 1.00 0.00 N ATOM 599 CA TRP A 43 2.526 7.886 0.574 1.00 0.00 C ATOM 600 C TRP A 43 1.360 7.591 -0.370 1.00 0.00 C ATOM 601 O TRP A 43 0.204 7.570 0.052 1.00 0.00 O ATOM 602 CB TRP A 43 3.375 6.650 0.879 1.00 0.00 C ATOM 603 CG TRP A 43 4.412 6.864 1.984 1.00 0.00 C ATOM 604 CD1 TRP A 43 5.073 7.990 2.288 1.00 0.00 C ATOM 605 CD2 TRP A 43 4.884 5.876 2.924 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.932 7.801 3.351 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.813 6.474 3.750 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.537 4.522 3.071 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.473 5.794 4.781 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.204 3.856 4.106 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.142 4.444 4.947 1.00 0.00 C ATOM 0 H TRP A 43 1.676 7.775 2.486 1.00 0.00 H new ATOM 0 HA TRP A 43 3.200 8.589 0.085 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.716 5.831 1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.888 6.341 -0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.949 8.927 1.766 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.542 8.505 3.767 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.813 4.034 2.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.198 6.284 5.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.974 2.812 4.262 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.613 3.862 5.725 1.00 0.00 H new ATOM 622 N THR A 44 1.702 7.370 -1.631 1.00 0.00 N ATOM 623 CA THR A 44 0.697 7.078 -2.639 1.00 0.00 C ATOM 624 C THR A 44 0.733 5.595 -3.014 1.00 0.00 C ATOM 625 O THR A 44 1.725 5.113 -3.559 1.00 0.00 O ATOM 626 CB THR A 44 0.934 8.011 -3.828 1.00 0.00 C ATOM 627 OG1 THR A 44 0.431 9.269 -3.388 1.00 0.00 O ATOM 628 CG2 THR A 44 0.058 7.659 -5.032 1.00 0.00 C ATOM 0 H THR A 44 2.661 7.387 -1.978 1.00 0.00 H new ATOM 0 HA THR A 44 -0.308 7.261 -2.259 1.00 0.00 H new ATOM 0 HB THR A 44 1.984 7.969 -4.119 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.547 9.934 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.266 8.351 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.276 6.641 -5.356 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.993 7.733 -4.752 1.00 0.00 H new ATOM 636 N GLY A 45 -0.360 4.913 -2.706 1.00 0.00 N ATOM 637 CA GLY A 45 -0.466 3.494 -3.004 1.00 0.00 C ATOM 638 C GLY A 45 -1.319 3.258 -4.252 1.00 0.00 C ATOM 639 O GLY A 45 -1.944 4.184 -4.765 1.00 0.00 O ATOM 0 H GLY A 45 -1.180 5.316 -2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.529 3.075 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.906 2.972 -2.154 1.00 0.00 H new ATOM 643 N SER A 46 -1.316 2.013 -4.704 1.00 0.00 N ATOM 644 CA SER A 46 -2.081 1.643 -5.883 1.00 0.00 C ATOM 645 C SER A 46 -2.635 0.225 -5.724 1.00 0.00 C ATOM 646 O SER A 46 -2.024 -0.612 -5.062 1.00 0.00 O ATOM 647 CB SER A 46 -1.226 1.740 -7.148 1.00 0.00 C ATOM 648 OG SER A 46 -2.021 1.920 -8.317 1.00 0.00 O ATOM 0 H SER A 46 -0.796 1.247 -4.275 1.00 0.00 H new ATOM 0 HA SER A 46 -2.912 2.342 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.529 2.573 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.628 0.834 -7.252 1.00 0.00 H new ATOM 0 HG SER A 46 -2.969 1.832 -8.085 1.00 0.00 H new ATOM 654 N ILE A 47 -3.785 0.001 -6.342 1.00 0.00 N ATOM 655 CA ILE A 47 -4.427 -1.301 -6.278 1.00 0.00 C ATOM 656 C ILE A 47 -4.987 -1.658 -7.656 1.00 0.00 C ATOM 657 O ILE A 47 -5.948 -1.043 -8.117 1.00 0.00 O ATOM 658 CB ILE A 47 -5.474 -1.327 -5.163 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.822 -1.130 -3.793 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.307 -2.609 -5.222 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.877 -0.878 -2.714 1.00 0.00 C ATOM 0 H ILE A 47 -4.289 0.699 -6.889 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.700 -2.072 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.157 -0.492 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.236 -2.012 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.130 -0.289 -3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.043 -2.602 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.819 -2.667 -6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.653 -3.473 -5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.386 -0.741 -1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.445 0.019 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.553 -1.732 -2.659 1.00 0.00 H new ATOM 673 N GLY A 48 -4.363 -2.649 -8.275 1.00 0.00 N ATOM 674 CA GLY A 48 -4.787 -3.094 -9.591 1.00 0.00 C ATOM 675 C GLY A 48 -4.627 -1.978 -10.626 1.00 0.00 C ATOM 676 O GLY A 48 -3.698 -2.003 -11.432 1.00 0.00 O ATOM 0 H GLY A 48 -3.567 -3.156 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.199 -3.961 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.829 -3.413 -9.553 1.00 0.00 H new ATOM 680 N ASP A 49 -5.546 -1.026 -10.569 1.00 0.00 N ATOM 681 CA ASP A 49 -5.518 0.097 -11.491 1.00 0.00 C ATOM 682 C ASP A 49 -6.069 1.341 -10.790 1.00 0.00 C ATOM 683 O ASP A 49 -6.511 2.282 -11.446 1.00 0.00 O ATOM 684 CB ASP A 49 -6.388 -0.177 -12.719 1.00 0.00 C ATOM 685 CG ASP A 49 -5.615 -0.435 -14.014 1.00 0.00 C ATOM 686 OD1 ASP A 49 -4.512 0.138 -14.140 1.00 0.00 O ATOM 687 OD2 ASP A 49 -6.146 -1.199 -14.849 1.00 0.00 O ATOM 0 H ASP A 49 -6.315 -1.009 -9.899 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.486 0.248 -11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.020 -1.041 -12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.051 0.674 -12.873 1.00 0.00 H new ATOM 692 N ARG A 50 -6.023 1.304 -9.466 1.00 0.00 N ATOM 693 CA ARG A 50 -6.511 2.416 -8.670 1.00 0.00 C ATOM 694 C ARG A 50 -5.339 3.239 -8.131 1.00 0.00 C ATOM 695 O ARG A 50 -4.246 2.711 -7.930 1.00 0.00 O ATOM 696 CB ARG A 50 -7.360 1.922 -7.496 1.00 0.00 C ATOM 697 CG ARG A 50 -8.537 1.078 -7.988 1.00 0.00 C ATOM 698 CD ARG A 50 -9.443 0.670 -6.825 1.00 0.00 C ATOM 699 NE ARG A 50 -9.382 -0.795 -6.625 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.204 -1.479 -5.817 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.155 -0.834 -5.129 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.074 -2.807 -5.698 1.00 0.00 N ATOM 0 H ARG A 50 -5.655 0.521 -8.925 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.130 3.039 -9.316 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.742 1.332 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.732 2.774 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.113 1.643 -8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.164 0.187 -8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.133 1.183 -5.915 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.469 0.975 -7.029 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.669 -1.317 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.253 0.177 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.781 -1.354 -4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.349 -3.298 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.700 -3.328 -5.083 1.00 0.00 H new ATOM 716 N SER A 51 -5.606 4.518 -7.914 1.00 0.00 N ATOM 717 CA SER A 51 -4.586 5.419 -7.403 1.00 0.00 C ATOM 718 C SER A 51 -5.182 6.325 -6.323 1.00 0.00 C ATOM 719 O SER A 51 -6.289 6.837 -6.480 1.00 0.00 O ATOM 720 CB SER A 51 -3.981 6.261 -8.528 1.00 0.00 C ATOM 721 OG SER A 51 -4.794 6.252 -9.698 1.00 0.00 O ATOM 0 H SER A 51 -6.513 4.952 -8.082 1.00 0.00 H new ATOM 0 HA SER A 51 -3.788 4.819 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.852 7.287 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.989 5.880 -8.773 1.00 0.00 H new ATOM 0 HG SER A 51 -4.374 6.802 -10.392 1.00 0.00 H new ATOM 727 N GLY A 52 -4.421 6.495 -5.252 1.00 0.00 N ATOM 728 CA GLY A 52 -4.859 7.330 -4.147 1.00 0.00 C ATOM 729 C GLY A 52 -3.781 7.421 -3.066 1.00 0.00 C ATOM 730 O GLY A 52 -2.730 6.790 -3.178 1.00 0.00 O ATOM 0 H GLY A 52 -3.503 6.068 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.096 8.329 -4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.774 6.922 -3.719 1.00 0.00 H new ATOM 734 N ILE A 53 -4.077 8.209 -2.044 1.00 0.00 N ATOM 735 CA ILE A 53 -3.146 8.390 -0.943 1.00 0.00 C ATOM 736 C ILE A 53 -3.608 7.555 0.253 1.00 0.00 C ATOM 737 O ILE A 53 -4.786 7.217 0.360 1.00 0.00 O ATOM 738 CB ILE A 53 -2.974 9.877 -0.626 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.252 10.460 -0.020 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.520 10.653 -1.864 1.00 0.00 C ATOM 741 CD1 ILE A 53 -3.932 11.625 0.919 1.00 0.00 C ATOM 0 H ILE A 53 -4.949 8.730 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.155 8.030 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.188 9.978 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.913 10.801 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.786 9.683 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.405 11.707 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.566 10.257 -2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.265 10.548 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.858 12.021 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.290 11.275 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.419 12.410 0.363 1.00 0.00 H new ATOM 753 N PHE A 54 -2.657 7.247 1.122 1.00 0.00 N ATOM 754 CA PHE A 54 -2.952 6.459 2.306 1.00 0.00 C ATOM 755 C PHE A 54 -1.963 6.769 3.432 1.00 0.00 C ATOM 756 O PHE A 54 -0.887 7.310 3.186 1.00 0.00 O ATOM 757 CB PHE A 54 -2.811 4.987 1.910 1.00 0.00 C ATOM 758 CG PHE A 54 -1.371 4.554 1.629 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.528 4.282 2.661 1.00 0.00 C ATOM 760 CD2 PHE A 54 -0.933 4.441 0.346 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.808 3.880 2.399 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.403 4.039 0.084 1.00 0.00 C ATOM 763 CZ PHE A 54 1.246 3.767 1.117 1.00 0.00 C ATOM 0 H PHE A 54 -1.681 7.529 1.030 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.955 6.690 2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.217 4.366 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.416 4.801 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.875 4.372 3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.602 4.657 -0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.477 3.664 3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.750 3.949 -0.935 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.263 3.461 0.918 1.00 0.00 H new ATOM 773 N PRO A 55 -2.375 6.403 4.675 1.00 0.00 N ATOM 774 CA PRO A 55 -1.537 6.636 5.840 1.00 0.00 C ATOM 775 C PRO A 55 -0.379 5.637 5.891 1.00 0.00 C ATOM 776 O PRO A 55 -0.598 4.427 5.887 1.00 0.00 O ATOM 777 CB PRO A 55 -2.476 6.518 7.029 1.00 0.00 C ATOM 778 CG PRO A 55 -3.698 5.769 6.524 1.00 0.00 C ATOM 779 CD PRO A 55 -3.643 5.759 5.005 1.00 0.00 C ATOM 0 HA PRO A 55 -1.056 7.614 5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.001 5.981 7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.751 7.502 7.409 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.709 4.751 6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.612 6.252 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.684 4.742 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.486 6.300 4.575 1.00 0.00 H new ATOM 787 N SER A 56 0.828 6.182 5.938 1.00 0.00 N ATOM 788 CA SER A 56 2.021 5.354 5.991 1.00 0.00 C ATOM 789 C SER A 56 2.162 4.726 7.379 1.00 0.00 C ATOM 790 O SER A 56 3.168 4.929 8.056 1.00 0.00 O ATOM 791 CB SER A 56 3.271 6.166 5.646 1.00 0.00 C ATOM 792 OG SER A 56 3.602 7.098 6.672 1.00 0.00 O ATOM 0 H SER A 56 1.005 7.186 5.940 1.00 0.00 H new ATOM 0 HA SER A 56 1.920 4.561 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.110 5.489 5.486 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.110 6.700 4.710 1.00 0.00 H new ATOM 0 HG SER A 56 3.544 8.010 6.317 1.00 0.00 H new ATOM 798 N ASN A 57 1.138 3.977 7.761 1.00 0.00 N ATOM 799 CA ASN A 57 1.135 3.318 9.056 1.00 0.00 C ATOM 800 C ASN A 57 0.305 2.036 8.970 1.00 0.00 C ATOM 801 O ASN A 57 0.718 0.990 9.467 1.00 0.00 O ATOM 802 CB ASN A 57 0.512 4.214 10.129 1.00 0.00 C ATOM 803 CG ASN A 57 0.503 3.516 11.490 1.00 0.00 C ATOM 804 OD1 ASN A 57 1.531 3.149 12.035 1.00 0.00 O ATOM 805 ND2 ASN A 57 -0.711 3.353 12.007 1.00 0.00 N ATOM 0 H ASN A 57 0.305 3.812 7.196 1.00 0.00 H new ATOM 0 HA ASN A 57 2.168 3.099 9.325 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.072 5.147 10.199 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.507 4.474 9.843 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.823 2.897 12.913 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.531 3.684 11.498 1.00 0.00 H new ATOM 812 N TYR A 58 -0.852 2.160 8.336 1.00 0.00 N ATOM 813 CA TYR A 58 -1.744 1.024 8.178 1.00 0.00 C ATOM 814 C TYR A 58 -1.191 0.031 7.155 1.00 0.00 C ATOM 815 O TYR A 58 -1.804 -1.004 6.895 1.00 0.00 O ATOM 816 CB TYR A 58 -3.065 1.594 7.656 1.00 0.00 C ATOM 817 CG TYR A 58 -3.927 2.254 8.734 1.00 0.00 C ATOM 818 CD1 TYR A 58 -3.388 3.226 9.551 1.00 0.00 C ATOM 819 CD2 TYR A 58 -5.246 1.875 8.890 1.00 0.00 C ATOM 820 CE1 TYR A 58 -4.200 3.847 10.565 1.00 0.00 C ATOM 821 CE2 TYR A 58 -6.058 2.496 9.904 1.00 0.00 C ATOM 822 CZ TYR A 58 -5.495 3.451 10.692 1.00 0.00 C ATOM 823 OH TYR A 58 -6.261 4.037 11.650 1.00 0.00 O ATOM 0 H TYR A 58 -1.192 3.030 7.926 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.862 0.494 9.123 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.851 2.327 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.636 0.791 7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.356 3.521 9.430 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.668 1.113 8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.790 4.610 11.210 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.091 2.210 10.036 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.164 3.657 11.625 1.00 0.00 H new ATOM 833 N VAL A 59 -0.039 0.379 6.601 1.00 0.00 N ATOM 834 CA VAL A 59 0.603 -0.469 5.612 1.00 0.00 C ATOM 835 C VAL A 59 2.015 -0.819 6.086 1.00 0.00 C ATOM 836 O VAL A 59 2.712 0.025 6.648 1.00 0.00 O ATOM 837 CB VAL A 59 0.584 0.216 4.244 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.849 0.521 3.803 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.437 1.486 4.255 1.00 0.00 C ATOM 0 H VAL A 59 0.467 1.238 6.819 1.00 0.00 H new ATOM 0 HA VAL A 59 0.057 -1.405 5.499 1.00 0.00 H new ATOM 0 HB VAL A 59 1.018 -0.472 3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.834 1.008 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.415 -0.408 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.321 1.181 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.406 1.953 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.046 2.180 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.467 1.230 4.503 1.00 0.00 H new ATOM 849 N LYS A 60 2.395 -2.064 5.843 1.00 0.00 N ATOM 850 CA LYS A 60 3.712 -2.536 6.238 1.00 0.00 C ATOM 851 C LYS A 60 4.494 -2.953 4.991 1.00 0.00 C ATOM 852 O LYS A 60 3.907 -3.209 3.941 1.00 0.00 O ATOM 853 CB LYS A 60 3.591 -3.643 7.287 1.00 0.00 C ATOM 854 CG LYS A 60 3.308 -4.995 6.629 1.00 0.00 C ATOM 855 CD LYS A 60 2.645 -5.957 7.616 1.00 0.00 C ATOM 856 CE LYS A 60 3.400 -7.287 7.676 1.00 0.00 C ATOM 857 NZ LYS A 60 2.531 -8.351 8.226 1.00 0.00 N ATOM 0 H LYS A 60 1.814 -2.761 5.377 1.00 0.00 H new ATOM 0 HA LYS A 60 4.277 -1.736 6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.513 -3.702 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.791 -3.400 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.661 -4.854 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.239 -5.428 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.618 -5.505 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.612 -6.134 7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.739 -7.565 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.290 -7.179 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.058 -9.247 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.229 -8.090 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.694 -8.465 7.619 1.00 0.00 H new ATOM 871 N PRO A 61 5.844 -3.010 5.152 1.00 0.00 N ATOM 872 CA PRO A 61 6.713 -3.391 4.052 1.00 0.00 C ATOM 873 C PRO A 61 6.646 -4.898 3.797 1.00 0.00 C ATOM 874 O PRO A 61 7.057 -5.693 4.641 1.00 0.00 O ATOM 875 CB PRO A 61 8.098 -2.920 4.464 1.00 0.00 C ATOM 876 CG PRO A 61 8.038 -2.712 5.968 1.00 0.00 C ATOM 877 CD PRO A 61 6.575 -2.713 6.380 1.00 0.00 C ATOM 0 HA PRO A 61 6.417 -2.938 3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.856 -3.659 4.202 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.364 -1.995 3.952 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.581 -3.503 6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.511 -1.769 6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.380 -3.462 7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.279 -1.749 6.793 1.00 0.00 H new ATOM 885 N LYS A 62 6.124 -5.246 2.630 1.00 0.00 N ATOM 886 CA LYS A 62 5.997 -6.644 2.254 1.00 0.00 C ATOM 887 C LYS A 62 7.342 -7.345 2.452 1.00 0.00 C ATOM 888 O LYS A 62 8.214 -7.278 1.587 1.00 0.00 O ATOM 889 CB LYS A 62 5.442 -6.768 0.833 1.00 0.00 C ATOM 890 CG LYS A 62 4.495 -7.964 0.717 1.00 0.00 C ATOM 891 CD LYS A 62 3.622 -7.852 -0.535 1.00 0.00 C ATOM 892 CE LYS A 62 4.271 -8.567 -1.721 1.00 0.00 C ATOM 893 NZ LYS A 62 3.299 -8.722 -2.827 1.00 0.00 N ATOM 0 H LYS A 62 5.784 -4.584 1.932 1.00 0.00 H new ATOM 0 HA LYS A 62 5.277 -7.148 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.913 -5.854 0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.264 -6.881 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.073 -8.888 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.862 -8.019 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.641 -8.284 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.465 -6.802 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.136 -8.001 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.635 -9.546 -1.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.806 -8.954 -3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.633 -9.488 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.774 -7.833 -2.955 1.00 0.00 H new ATOM 907 N ASP A 63 7.469 -8.001 3.596 1.00 0.00 N ATOM 908 CA ASP A 63 8.693 -8.713 3.919 1.00 0.00 C ATOM 909 C ASP A 63 8.720 -10.041 3.159 1.00 0.00 C ATOM 910 O ASP A 63 7.744 -10.790 3.175 1.00 0.00 O ATOM 911 CB ASP A 63 8.772 -9.023 5.415 1.00 0.00 C ATOM 912 CG ASP A 63 10.075 -9.682 5.871 1.00 0.00 C ATOM 913 OD1 ASP A 63 11.132 -9.277 5.341 1.00 0.00 O ATOM 914 OD2 ASP A 63 9.985 -10.576 6.740 1.00 0.00 O ATOM 0 H ASP A 63 6.744 -8.054 4.311 1.00 0.00 H new ATOM 0 HA ASP A 63 9.535 -8.081 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.638 -8.095 5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.940 -9.676 5.680 1.00 0.00 H new ATOM 919 N SER A 64 9.849 -10.293 2.513 1.00 0.00 N ATOM 920 CA SER A 64 10.017 -11.518 1.749 1.00 0.00 C ATOM 921 C SER A 64 11.486 -11.698 1.364 1.00 0.00 C ATOM 922 O SER A 64 12.085 -10.813 0.754 1.00 0.00 O ATOM 923 CB SER A 64 9.137 -11.510 0.496 1.00 0.00 C ATOM 924 OG SER A 64 7.917 -12.218 0.697 1.00 0.00 O ATOM 0 H SER A 64 10.656 -9.670 2.503 1.00 0.00 H new ATOM 0 HA SER A 64 9.707 -12.356 2.374 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.917 -10.480 0.214 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.684 -11.958 -0.334 1.00 0.00 H new ATOM 0 HG SER A 64 7.523 -11.954 1.555 1.00 0.00 H new ATOM 930 N GLY A 65 12.026 -12.849 1.736 1.00 0.00 N ATOM 931 CA GLY A 65 13.414 -13.156 1.438 1.00 0.00 C ATOM 932 C GLY A 65 14.259 -13.169 2.713 1.00 0.00 C ATOM 933 O GLY A 65 14.908 -12.177 3.043 1.00 0.00 O ATOM 0 H GLY A 65 11.527 -13.581 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.478 -14.126 0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 65 13.812 -12.418 0.741 1.00 0.00 H new ATOM 937 N PRO A 66 14.224 -14.334 3.415 1.00 0.00 N ATOM 938 CA PRO A 66 14.978 -14.489 4.647 1.00 0.00 C ATOM 939 C PRO A 66 16.470 -14.668 4.357 1.00 0.00 C ATOM 940 O PRO A 66 17.021 -15.747 4.571 1.00 0.00 O ATOM 941 CB PRO A 66 14.358 -15.691 5.339 1.00 0.00 C ATOM 942 CG PRO A 66 13.594 -16.444 4.263 1.00 0.00 C ATOM 943 CD PRO A 66 13.467 -15.529 3.055 1.00 0.00 C ATOM 0 HA PRO A 66 14.926 -13.608 5.287 1.00 0.00 H new ATOM 0 HB2 PRO A 66 15.125 -16.322 5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.693 -15.378 6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.118 -17.361 3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.609 -16.735 4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.871 -15.999 2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.424 -15.290 2.847 1.00 0.00 H new ATOM 951 N SER A 67 17.080 -13.596 3.876 1.00 0.00 N ATOM 952 CA SER A 67 18.497 -13.622 3.555 1.00 0.00 C ATOM 953 C SER A 67 18.783 -14.729 2.538 1.00 0.00 C ATOM 954 O SER A 67 19.011 -15.878 2.915 1.00 0.00 O ATOM 955 CB SER A 67 19.343 -13.824 4.813 1.00 0.00 C ATOM 956 OG SER A 67 20.637 -13.241 4.686 1.00 0.00 O ATOM 0 H SER A 67 16.619 -12.703 3.700 1.00 0.00 H new ATOM 0 HA SER A 67 18.767 -12.660 3.120 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.830 -13.385 5.669 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.444 -14.890 5.014 1.00 0.00 H new ATOM 0 HG SER A 67 21.145 -13.390 5.510 1.00 0.00 H new ATOM 962 N SER A 68 18.762 -14.345 1.271 1.00 0.00 N ATOM 963 CA SER A 68 19.016 -15.291 0.198 1.00 0.00 C ATOM 964 C SER A 68 20.392 -15.934 0.382 1.00 0.00 C ATOM 965 O SER A 68 21.407 -15.240 0.409 1.00 0.00 O ATOM 966 CB SER A 68 18.928 -14.610 -1.170 1.00 0.00 C ATOM 967 OG SER A 68 17.649 -14.022 -1.391 1.00 0.00 O ATOM 0 H SER A 68 18.573 -13.391 0.963 1.00 0.00 H new ATOM 0 HA SER A 68 18.251 -16.066 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 68 19.698 -13.842 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 68 19.131 -15.341 -1.953 1.00 0.00 H new ATOM 0 HG SER A 68 17.633 -13.596 -2.273 1.00 0.00 H new ATOM 973 N GLY A 69 20.382 -17.253 0.506 1.00 0.00 N ATOM 974 CA GLY A 69 21.616 -17.998 0.687 1.00 0.00 C ATOM 975 C GLY A 69 21.487 -19.003 1.833 1.00 0.00 C ATOM 976 O GLY A 69 20.489 -19.716 1.929 1.00 0.00 O ATOM 0 H GLY A 69 19.538 -17.825 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 69 21.867 -18.523 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 69 22.434 -17.308 0.894 1.00 0.00 H new TER 980 GLY A 69