USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 69 SER OG : rot 104:sc= 0.934 USER MOD Set 1.2: C 71 THR OG1 : rot 180:sc= 0.808 USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ -161:sc= 0.302 (180deg=0.0632) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0 USER MOD Single : C 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ -106:sc= -0.174 (180deg=-1.98!) USER MOD Single : C 18 ASN : amide:sc= -0.372 K(o=-0.37,f=-4.7!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -0:sc= -0.335 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot -71:sc= 0.28 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -171:sc= -9.06! (180deg=-9.51!) USER MOD Single : C 47 MET CE :methyl 175:sc= -6.18! (180deg=-6.76!) USER MOD Single : C 50 GLN : amide:sc= -0.335 X(o=-0.34,f=0) USER MOD Single : C 51 ASN : amide:sc= -2.06! C(o=-2.1!,f=-1.7!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.864 USER MOD Single : C 58 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl -138:sc=-0.00244 (180deg=-0.805) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -20:sc= 0.846 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 3 SER OG : rot 180:sc= 0 USER MOD Single : I 7 MET CE :methyl -158:sc= -0.797 (180deg=-1.32) USER MOD Single : I 8 MET CE :methyl 152:sc= -9.2! (180deg=-12.2!) USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 56.843 -11.685 13.981 1.00 0.00 N ATOM 45 CA ILE C 4 55.558 -10.930 13.940 1.00 0.00 C ATOM 46 C ILE C 4 55.380 -10.280 12.562 1.00 0.00 C ATOM 47 O ILE C 4 54.280 -9.977 12.143 1.00 0.00 O ATOM 48 CB ILE C 4 55.685 -9.875 15.049 1.00 0.00 C ATOM 49 CG1 ILE C 4 54.288 -9.483 15.541 1.00 0.00 C ATOM 50 CG2 ILE C 4 56.411 -8.634 14.522 1.00 0.00 C ATOM 51 CD1 ILE C 4 53.588 -8.630 14.481 1.00 0.00 C ATOM 0 HA ILE C 4 54.686 -11.566 14.097 1.00 0.00 H new ATOM 0 HB ILE C 4 56.261 -10.295 15.874 1.00 0.00 H new ATOM 0 HG12 ILE C 4 53.701 -10.378 15.748 1.00 0.00 H new ATOM 0 HG13 ILE C 4 54.364 -8.928 16.476 1.00 0.00 H new ATOM 0 HG21 ILE C 4 56.494 -7.895 15.319 1.00 0.00 H new ATOM 0 HG22 ILE C 4 57.408 -8.913 14.181 1.00 0.00 H new ATOM 0 HG23 ILE C 4 55.849 -8.209 13.690 1.00 0.00 H new ATOM 0 HD11 ILE C 4 52.595 -8.353 14.834 1.00 0.00 H new ATOM 0 HD12 ILE C 4 54.172 -7.728 14.296 1.00 0.00 H new ATOM 0 HD13 ILE C 4 53.498 -9.200 13.556 1.00 0.00 H new ATOM 63 N TYR C 5 56.458 -10.075 11.855 1.00 0.00 N ATOM 64 CA TYR C 5 56.363 -9.455 10.501 1.00 0.00 C ATOM 65 C TYR C 5 56.579 -10.520 9.421 1.00 0.00 C ATOM 66 O TYR C 5 55.752 -10.718 8.554 1.00 0.00 O ATOM 67 CB TYR C 5 57.489 -8.421 10.458 1.00 0.00 C ATOM 68 CG TYR C 5 57.008 -7.124 11.060 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.861 -6.499 10.557 1.00 0.00 C ATOM 70 CD2 TYR C 5 57.712 -6.543 12.123 1.00 0.00 C ATOM 71 CE1 TYR C 5 55.418 -5.294 11.116 1.00 0.00 C ATOM 72 CE2 TYR C 5 57.269 -5.339 12.682 1.00 0.00 C ATOM 73 CZ TYR C 5 56.122 -4.714 12.178 1.00 0.00 C ATOM 74 OH TYR C 5 55.685 -3.528 12.730 1.00 0.00 O ATOM 0 H TYR C 5 57.403 -10.311 12.157 1.00 0.00 H new ATOM 0 HA TYR C 5 55.387 -9.004 10.320 1.00 0.00 H new ATOM 0 HB2 TYR C 5 58.356 -8.789 11.007 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.809 -8.259 9.429 1.00 0.00 H new ATOM 0 HD1 TYR C 5 55.318 -6.946 9.738 1.00 0.00 H new ATOM 0 HD2 TYR C 5 58.597 -7.025 12.511 1.00 0.00 H new ATOM 0 HE1 TYR C 5 54.533 -4.812 10.728 1.00 0.00 H new ATOM 0 HE2 TYR C 5 57.812 -4.892 13.502 1.00 0.00 H new ATOM 0 HH TYR C 5 56.287 -3.265 13.457 1.00 0.00 H new ATOM 84 N LYS C 6 57.689 -11.205 9.472 1.00 0.00 N ATOM 85 CA LYS C 6 57.966 -12.258 8.452 1.00 0.00 C ATOM 86 C LYS C 6 56.714 -13.101 8.201 1.00 0.00 C ATOM 87 O LYS C 6 56.486 -13.580 7.108 1.00 0.00 O ATOM 88 CB LYS C 6 59.074 -13.116 9.064 1.00 0.00 C ATOM 89 CG LYS C 6 60.437 -12.509 8.726 1.00 0.00 C ATOM 90 CD LYS C 6 61.501 -13.093 9.655 1.00 0.00 C ATOM 91 CE LYS C 6 62.158 -11.966 10.454 1.00 0.00 C ATOM 92 NZ LYS C 6 63.003 -11.237 9.468 1.00 0.00 N ATOM 0 H LYS C 6 58.417 -11.081 10.176 1.00 0.00 H new ATOM 0 HA LYS C 6 58.258 -11.834 7.491 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.948 -13.174 10.145 1.00 0.00 H new ATOM 0 HB3 LYS C 6 59.013 -14.135 8.681 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.692 -12.718 7.687 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.401 -11.425 8.834 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.049 -13.817 10.333 1.00 0.00 H new ATOM 0 HD3 LYS C 6 62.253 -13.627 9.074 1.00 0.00 H new ATOM 0 HE2 LYS C 6 61.410 -11.308 10.896 1.00 0.00 H new ATOM 0 HE3 LYS C 6 62.759 -12.361 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 63.717 -10.674 9.972 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 63.478 -11.921 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 62.405 -10.607 8.897 1.00 0.00 H new ATOM 106 N ALA C 7 55.901 -13.286 9.204 1.00 0.00 N ATOM 107 CA ALA C 7 54.664 -14.099 9.020 1.00 0.00 C ATOM 108 C ALA C 7 53.694 -13.376 8.082 1.00 0.00 C ATOM 109 O ALA C 7 52.992 -13.992 7.306 1.00 0.00 O ATOM 110 CB ALA C 7 54.064 -14.229 10.420 1.00 0.00 C ATOM 0 H ALA C 7 56.039 -12.910 10.142 1.00 0.00 H new ATOM 0 HA ALA C 7 54.870 -15.072 8.575 1.00 0.00 H new ATOM 0 HB1 ALA C 7 53.147 -14.816 10.370 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.778 -14.726 11.077 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.839 -13.238 10.813 1.00 0.00 H new ATOM 116 N ALA C 8 53.651 -12.073 8.146 1.00 0.00 N ATOM 117 CA ALA C 8 52.727 -11.315 7.255 1.00 0.00 C ATOM 118 C ALA C 8 53.191 -11.425 5.801 1.00 0.00 C ATOM 119 O ALA C 8 52.405 -11.657 4.904 1.00 0.00 O ATOM 120 CB ALA C 8 52.807 -9.867 7.737 1.00 0.00 C ATOM 0 H ALA C 8 54.215 -11.501 8.775 1.00 0.00 H new ATOM 0 HA ALA C 8 51.708 -11.699 7.294 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.152 -9.244 7.128 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.493 -9.813 8.779 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.833 -9.510 7.648 1.00 0.00 H new ATOM 126 N VAL C 9 54.464 -11.263 5.561 1.00 0.00 N ATOM 127 CA VAL C 9 54.974 -11.363 4.164 1.00 0.00 C ATOM 128 C VAL C 9 54.413 -12.616 3.491 1.00 0.00 C ATOM 129 O VAL C 9 53.817 -12.553 2.434 1.00 0.00 O ATOM 130 CB VAL C 9 56.493 -11.462 4.300 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.134 -11.382 2.914 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.003 -10.308 5.166 1.00 0.00 C ATOM 0 H VAL C 9 55.171 -11.066 6.270 1.00 0.00 H new ATOM 0 HA VAL C 9 54.677 -10.511 3.553 1.00 0.00 H new ATOM 0 HB VAL C 9 56.756 -12.411 4.768 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.218 -11.452 3.010 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.770 -12.203 2.297 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.872 -10.433 2.446 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.086 -10.378 5.264 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.741 -9.359 4.698 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.545 -10.364 6.154 1.00 0.00 H new ATOM 142 N GLU C 10 54.596 -13.756 4.099 1.00 0.00 N ATOM 143 CA GLU C 10 54.071 -15.014 3.498 1.00 0.00 C ATOM 144 C GLU C 10 52.543 -14.956 3.412 1.00 0.00 C ATOM 145 O GLU C 10 51.918 -15.753 2.744 1.00 0.00 O ATOM 146 CB GLU C 10 54.510 -16.123 4.457 1.00 0.00 C ATOM 147 CG GLU C 10 55.569 -16.995 3.778 1.00 0.00 C ATOM 148 CD GLU C 10 55.032 -17.503 2.440 1.00 0.00 C ATOM 149 OE1 GLU C 10 53.946 -18.060 2.433 1.00 0.00 O ATOM 150 OE2 GLU C 10 55.714 -17.326 1.444 1.00 0.00 O ATOM 0 H GLU C 10 55.086 -13.870 4.986 1.00 0.00 H new ATOM 0 HA GLU C 10 54.443 -15.178 2.487 1.00 0.00 H new ATOM 0 HB2 GLU C 10 54.913 -15.689 5.372 1.00 0.00 H new ATOM 0 HB3 GLU C 10 53.652 -16.731 4.744 1.00 0.00 H new ATOM 0 HG2 GLU C 10 56.482 -16.420 3.621 1.00 0.00 H new ATOM 0 HG3 GLU C 10 55.829 -17.836 4.420 1.00 0.00 H new ATOM 157 N GLN C 11 51.940 -14.014 4.087 1.00 0.00 N ATOM 158 CA GLN C 11 50.454 -13.903 4.048 1.00 0.00 C ATOM 159 C GLN C 11 50.024 -12.909 2.966 1.00 0.00 C ATOM 160 O GLN C 11 48.875 -12.523 2.886 1.00 0.00 O ATOM 161 CB GLN C 11 50.061 -13.388 5.432 1.00 0.00 C ATOM 162 CG GLN C 11 48.956 -14.271 6.010 1.00 0.00 C ATOM 163 CD GLN C 11 49.389 -14.801 7.378 1.00 0.00 C ATOM 164 OE1 GLN C 11 50.209 -15.692 7.466 1.00 0.00 O ATOM 165 NE2 GLN C 11 48.869 -14.284 8.457 1.00 0.00 N ATOM 0 H GLN C 11 52.412 -13.317 4.663 1.00 0.00 H new ATOM 0 HA GLN C 11 49.976 -14.854 3.813 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.928 -13.393 6.093 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.718 -12.356 5.364 1.00 0.00 H new ATOM 0 HG2 GLN C 11 48.032 -13.700 6.105 1.00 0.00 H new ATOM 0 HG3 GLN C 11 48.749 -15.102 5.335 1.00 0.00 H new ATOM 0 HE21 GLN C 11 48.180 -13.535 8.383 1.00 0.00 H new ATOM 0 HE22 GLN C 11 49.151 -14.628 9.375 1.00 0.00 H new ATOM 174 N LEU C 12 50.937 -12.491 2.134 1.00 0.00 N ATOM 175 CA LEU C 12 50.578 -11.522 1.059 1.00 0.00 C ATOM 176 C LEU C 12 49.923 -12.249 -0.116 1.00 0.00 C ATOM 177 O LEU C 12 49.378 -13.326 0.030 1.00 0.00 O ATOM 178 CB LEU C 12 51.905 -10.898 0.625 1.00 0.00 C ATOM 179 CG LEU C 12 52.563 -10.208 1.820 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.008 -9.853 1.469 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.791 -8.929 2.157 1.00 0.00 C ATOM 0 H LEU C 12 51.916 -12.778 2.151 1.00 0.00 H new ATOM 0 HA LEU C 12 49.867 -10.772 1.405 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.567 -11.667 0.227 1.00 0.00 H new ATOM 0 HB3 LEU C 12 51.735 -10.178 -0.175 1.00 0.00 H new ATOM 0 HG LEU C 12 52.551 -10.878 2.680 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.479 -9.361 2.320 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.557 -10.763 1.226 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.019 -9.182 0.610 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.259 -8.436 3.009 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.804 -8.259 1.297 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.760 -9.181 2.405 1.00 0.00 H new ATOM 193 N THR C 13 49.976 -11.668 -1.283 1.00 0.00 N ATOM 194 CA THR C 13 49.362 -12.321 -2.475 1.00 0.00 C ATOM 195 C THR C 13 50.021 -11.793 -3.751 1.00 0.00 C ATOM 196 O THR C 13 50.510 -10.681 -3.793 1.00 0.00 O ATOM 197 CB THR C 13 47.885 -11.929 -2.429 1.00 0.00 C ATOM 198 OG1 THR C 13 47.727 -10.783 -1.603 1.00 0.00 O ATOM 199 CG2 THR C 13 47.064 -13.087 -1.859 1.00 0.00 C ATOM 0 H THR C 13 50.419 -10.767 -1.463 1.00 0.00 H new ATOM 0 HA THR C 13 49.491 -13.403 -2.470 1.00 0.00 H new ATOM 0 HB THR C 13 47.538 -11.703 -3.437 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.781 -10.529 -1.574 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.011 -12.806 -1.827 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.186 -13.966 -2.492 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.409 -13.316 -0.851 1.00 0.00 H new ATOM 207 N GLU C 14 50.043 -12.581 -4.792 1.00 0.00 N ATOM 208 CA GLU C 14 50.675 -12.119 -6.060 1.00 0.00 C ATOM 209 C GLU C 14 50.279 -10.669 -6.350 1.00 0.00 C ATOM 210 O GLU C 14 51.103 -9.775 -6.328 1.00 0.00 O ATOM 211 CB GLU C 14 50.129 -13.052 -7.141 1.00 0.00 C ATOM 212 CG GLU C 14 51.040 -13.000 -8.369 1.00 0.00 C ATOM 213 CD GLU C 14 50.211 -12.656 -9.606 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.353 -11.795 -9.499 1.00 0.00 O ATOM 215 OE2 GLU C 14 50.447 -13.260 -10.640 1.00 0.00 O ATOM 0 H GLU C 14 49.651 -13.522 -4.819 1.00 0.00 H new ATOM 0 HA GLU C 14 51.764 -12.147 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.072 -14.072 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU C 14 49.116 -12.756 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU C 14 51.822 -12.254 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU C 14 51.537 -13.960 -8.507 1.00 0.00 H new ATOM 222 N GLU C 15 49.026 -10.428 -6.620 1.00 0.00 N ATOM 223 CA GLU C 15 48.579 -9.036 -6.909 1.00 0.00 C ATOM 224 C GLU C 15 49.184 -8.061 -5.893 1.00 0.00 C ATOM 225 O GLU C 15 49.620 -6.982 -6.240 1.00 0.00 O ATOM 226 CB GLU C 15 47.056 -9.072 -6.774 1.00 0.00 C ATOM 227 CG GLU C 15 46.678 -9.427 -5.336 1.00 0.00 C ATOM 228 CD GLU C 15 45.168 -9.646 -5.243 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.443 -8.667 -5.295 1.00 0.00 O ATOM 230 OE2 GLU C 15 44.761 -10.790 -5.122 1.00 0.00 O ATOM 0 H GLU C 15 48.292 -11.135 -6.653 1.00 0.00 H new ATOM 0 HA GLU C 15 48.894 -8.700 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.634 -8.104 -7.043 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.637 -9.805 -7.463 1.00 0.00 H new ATOM 0 HG2 GLU C 15 47.206 -10.327 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.982 -8.627 -4.661 1.00 0.00 H new ATOM 237 N GLN C 16 49.212 -8.433 -4.642 1.00 0.00 N ATOM 238 CA GLN C 16 49.788 -7.525 -3.608 1.00 0.00 C ATOM 239 C GLN C 16 51.312 -7.469 -3.738 1.00 0.00 C ATOM 240 O GLN C 16 51.904 -6.407 -3.765 1.00 0.00 O ATOM 241 CB GLN C 16 49.387 -8.143 -2.268 1.00 0.00 C ATOM 242 CG GLN C 16 50.067 -7.377 -1.129 1.00 0.00 C ATOM 243 CD GLN C 16 49.004 -6.817 -0.183 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.665 -7.437 0.806 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.460 -5.660 -0.446 1.00 0.00 N ATOM 0 H GLN C 16 48.862 -9.324 -4.291 1.00 0.00 H new ATOM 0 HA GLN C 16 49.424 -6.503 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.304 -8.108 -2.149 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.677 -9.193 -2.238 1.00 0.00 H new ATOM 0 HG2 GLN C 16 50.742 -8.038 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN C 16 50.673 -6.566 -1.533 1.00 0.00 H new ATOM 0 HE21 GLN C 16 48.744 -5.140 -1.276 1.00 0.00 H new ATOM 0 HE22 GLN C 16 47.751 -5.276 0.178 1.00 0.00 H new ATOM 254 N LYS C 17 51.954 -8.603 -3.823 1.00 0.00 N ATOM 255 CA LYS C 17 53.438 -8.610 -3.955 1.00 0.00 C ATOM 256 C LYS C 17 53.846 -7.888 -5.246 1.00 0.00 C ATOM 257 O LYS C 17 54.873 -7.242 -5.309 1.00 0.00 O ATOM 258 CB LYS C 17 53.816 -10.098 -3.994 1.00 0.00 C ATOM 259 CG LYS C 17 55.082 -10.307 -4.830 1.00 0.00 C ATOM 260 CD LYS C 17 54.696 -10.426 -6.305 1.00 0.00 C ATOM 261 CE LYS C 17 55.224 -11.750 -6.869 1.00 0.00 C ATOM 262 NZ LYS C 17 54.598 -12.814 -6.030 1.00 0.00 N ATOM 0 H LYS C 17 51.515 -9.523 -3.807 1.00 0.00 H new ATOM 0 HA LYS C 17 53.945 -8.093 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.977 -10.465 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS C 17 52.995 -10.677 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.768 -9.472 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.603 -11.207 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.612 -10.379 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.109 -9.589 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS C 17 54.953 -11.866 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS C 17 56.312 -11.795 -6.814 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 55.311 -13.212 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 53.819 -12.405 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 54.227 -13.567 -6.644 1.00 0.00 H new ATOM 276 N ASN C 18 53.046 -7.992 -6.271 1.00 0.00 N ATOM 277 CA ASN C 18 53.386 -7.311 -7.552 1.00 0.00 C ATOM 278 C ASN C 18 53.313 -5.792 -7.375 1.00 0.00 C ATOM 279 O ASN C 18 54.152 -5.060 -7.864 1.00 0.00 O ATOM 280 CB ASN C 18 52.328 -7.787 -8.548 1.00 0.00 C ATOM 281 CG ASN C 18 52.781 -9.105 -9.180 1.00 0.00 C ATOM 282 OD1 ASN C 18 53.915 -9.510 -9.019 1.00 0.00 O ATOM 283 ND2 ASN C 18 51.937 -9.796 -9.895 1.00 0.00 N ATOM 0 H ASN C 18 52.172 -8.519 -6.277 1.00 0.00 H new ATOM 0 HA ASN C 18 54.396 -7.544 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.372 -7.923 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.175 -7.034 -9.321 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.229 -10.677 -10.319 1.00 0.00 H new ATOM 0 HD22 ASN C 18 50.985 -9.456 -10.030 1.00 0.00 H new ATOM 290 N GLU C 19 52.321 -5.311 -6.677 1.00 0.00 N ATOM 291 CA GLU C 19 52.202 -3.839 -6.467 1.00 0.00 C ATOM 292 C GLU C 19 53.439 -3.314 -5.736 1.00 0.00 C ATOM 293 O GLU C 19 54.054 -2.352 -6.149 1.00 0.00 O ATOM 294 CB GLU C 19 50.952 -3.661 -5.605 1.00 0.00 C ATOM 295 CG GLU C 19 50.038 -2.609 -6.238 1.00 0.00 C ATOM 296 CD GLU C 19 48.577 -2.987 -5.990 1.00 0.00 C ATOM 297 OE1 GLU C 19 48.208 -4.099 -6.330 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.851 -2.158 -5.465 1.00 0.00 O ATOM 0 H GLU C 19 51.588 -5.872 -6.243 1.00 0.00 H new ATOM 0 HA GLU C 19 52.128 -3.290 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.423 -4.610 -5.513 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.233 -3.354 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU C 19 50.248 -1.627 -5.814 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.231 -2.541 -7.309 1.00 0.00 H new ATOM 305 N PHE C 20 53.812 -3.944 -4.654 1.00 0.00 N ATOM 306 CA PHE C 20 55.014 -3.483 -3.901 1.00 0.00 C ATOM 307 C PHE C 20 56.254 -3.560 -4.794 1.00 0.00 C ATOM 308 O PHE C 20 57.013 -2.618 -4.903 1.00 0.00 O ATOM 309 CB PHE C 20 55.146 -4.449 -2.722 1.00 0.00 C ATOM 310 CG PHE C 20 53.955 -4.315 -1.799 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.269 -3.096 -1.697 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.539 -5.415 -1.039 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.171 -2.982 -0.837 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.441 -5.299 -0.179 1.00 0.00 C ATOM 315 CZ PHE C 20 51.756 -4.083 -0.078 1.00 0.00 C ATOM 0 H PHE C 20 53.337 -4.756 -4.260 1.00 0.00 H new ATOM 0 HA PHE C 20 54.919 -2.449 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.218 -5.473 -3.088 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.065 -4.241 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE C 20 53.588 -2.246 -2.282 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.066 -6.354 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE C 20 51.643 -2.043 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.122 -6.148 0.407 1.00 0.00 H new ATOM 0 HZ PHE C 20 50.908 -3.994 0.585 1.00 0.00 H new ATOM 325 N LYS C 21 56.467 -4.677 -5.435 1.00 0.00 N ATOM 326 CA LYS C 21 57.659 -4.813 -6.319 1.00 0.00 C ATOM 327 C LYS C 21 57.798 -3.575 -7.208 1.00 0.00 C ATOM 328 O LYS C 21 58.888 -3.096 -7.458 1.00 0.00 O ATOM 329 CB LYS C 21 57.385 -6.056 -7.168 1.00 0.00 C ATOM 330 CG LYS C 21 58.111 -7.260 -6.564 1.00 0.00 C ATOM 331 CD LYS C 21 59.403 -7.520 -7.341 1.00 0.00 C ATOM 332 CE LYS C 21 59.350 -8.913 -7.975 1.00 0.00 C ATOM 333 NZ LYS C 21 60.004 -8.755 -9.303 1.00 0.00 N ATOM 0 H LYS C 21 55.867 -5.501 -5.385 1.00 0.00 H new ATOM 0 HA LYS C 21 58.586 -4.905 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.313 -6.250 -7.212 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.722 -5.891 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.337 -7.073 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS C 21 57.469 -8.140 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS C 21 59.533 -6.762 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS C 21 60.262 -7.446 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS C 21 59.874 -9.646 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS C 21 58.322 -9.261 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 60.007 -9.669 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 59.480 -8.056 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 60.983 -8.430 -9.171 1.00 0.00 H new ATOM 347 N ALA C 22 56.703 -3.050 -7.685 1.00 0.00 N ATOM 348 CA ALA C 22 56.775 -1.842 -8.556 1.00 0.00 C ATOM 349 C ALA C 22 57.658 -0.775 -7.906 1.00 0.00 C ATOM 350 O ALA C 22 58.689 -0.407 -8.431 1.00 0.00 O ATOM 351 CB ALA C 22 55.332 -1.350 -8.670 1.00 0.00 C ATOM 0 H ALA C 22 55.763 -3.404 -7.510 1.00 0.00 H new ATOM 0 HA ALA C 22 57.208 -2.060 -9.532 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.300 -0.460 -9.298 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.715 -2.131 -9.115 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.951 -1.108 -7.678 1.00 0.00 H new ATOM 357 N ALA C 23 57.265 -0.278 -6.764 1.00 0.00 N ATOM 358 CA ALA C 23 58.094 0.760 -6.088 1.00 0.00 C ATOM 359 C ALA C 23 59.496 0.210 -5.822 1.00 0.00 C ATOM 360 O ALA C 23 60.484 0.895 -5.998 1.00 0.00 O ATOM 361 CB ALA C 23 57.371 1.062 -4.776 1.00 0.00 C ATOM 0 H ALA C 23 56.411 -0.544 -6.273 1.00 0.00 H new ATOM 0 HA ALA C 23 58.212 1.658 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA C 23 57.924 1.820 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.367 1.429 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.305 0.152 -4.179 1.00 0.00 H new ATOM 367 N PHE C 24 59.591 -1.026 -5.412 1.00 0.00 N ATOM 368 CA PHE C 24 60.933 -1.618 -5.151 1.00 0.00 C ATOM 369 C PHE C 24 61.835 -1.390 -6.364 1.00 0.00 C ATOM 370 O PHE C 24 63.014 -1.123 -6.235 1.00 0.00 O ATOM 371 CB PHE C 24 60.677 -3.111 -4.941 1.00 0.00 C ATOM 372 CG PHE C 24 61.991 -3.853 -4.928 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.816 -3.799 -3.796 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.386 -4.597 -6.046 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.034 -4.489 -3.785 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.604 -5.287 -6.033 1.00 0.00 C ATOM 377 CZ PHE C 24 64.428 -5.233 -4.903 1.00 0.00 C ATOM 0 H PHE C 24 58.800 -1.649 -5.247 1.00 0.00 H new ATOM 0 HA PHE C 24 61.429 -1.172 -4.289 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.148 -3.271 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.038 -3.496 -5.736 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.512 -3.225 -2.933 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.751 -4.639 -6.919 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.670 -4.447 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.908 -5.861 -6.896 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.368 -5.765 -4.894 1.00 0.00 H new ATOM 387 N ASP C 25 61.283 -1.482 -7.543 1.00 0.00 N ATOM 388 CA ASP C 25 62.099 -1.258 -8.769 1.00 0.00 C ATOM 389 C ASP C 25 62.531 0.208 -8.837 1.00 0.00 C ATOM 390 O ASP C 25 63.699 0.517 -8.966 1.00 0.00 O ATOM 391 CB ASP C 25 61.169 -1.599 -9.933 1.00 0.00 C ATOM 392 CG ASP C 25 61.949 -2.360 -11.006 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.540 -3.374 -10.674 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.943 -1.915 -12.142 1.00 0.00 O ATOM 0 H ASP C 25 60.301 -1.703 -7.710 1.00 0.00 H new ATOM 0 HA ASP C 25 63.005 -1.864 -8.787 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.333 -2.203 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.747 -0.686 -10.354 1.00 0.00 H new ATOM 399 N ILE C 26 61.595 1.111 -8.741 1.00 0.00 N ATOM 400 CA ILE C 26 61.948 2.558 -8.791 1.00 0.00 C ATOM 401 C ILE C 26 62.863 2.911 -7.615 1.00 0.00 C ATOM 402 O ILE C 26 63.690 3.796 -7.700 1.00 0.00 O ATOM 403 CB ILE C 26 60.614 3.296 -8.671 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.879 3.240 -10.012 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.866 4.755 -8.291 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.891 2.074 -10.001 1.00 0.00 C ATOM 0 H ILE C 26 60.601 0.910 -8.630 1.00 0.00 H new ATOM 0 HA ILE C 26 62.479 2.826 -9.704 1.00 0.00 H new ATOM 0 HB ILE C 26 60.007 2.821 -7.901 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.351 4.177 -10.189 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.594 3.118 -10.826 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.914 5.279 -8.206 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.390 4.797 -7.336 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.475 5.231 -9.060 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.366 2.033 -10.956 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.431 1.141 -9.843 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.169 2.216 -9.196 1.00 0.00 H new ATOM 418 N PHE C 27 62.716 2.223 -6.516 1.00 0.00 N ATOM 419 CA PHE C 27 63.570 2.512 -5.329 1.00 0.00 C ATOM 420 C PHE C 27 65.050 2.320 -5.676 1.00 0.00 C ATOM 421 O PHE C 27 65.918 2.934 -5.089 1.00 0.00 O ATOM 422 CB PHE C 27 63.135 1.496 -4.273 1.00 0.00 C ATOM 423 CG PHE C 27 62.348 2.193 -3.190 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.406 3.175 -3.528 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.557 1.857 -1.848 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.676 3.819 -2.521 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.827 2.501 -0.842 1.00 0.00 C ATOM 428 CZ PHE C 27 60.886 3.483 -1.179 1.00 0.00 C ATOM 0 H PHE C 27 62.039 1.471 -6.389 1.00 0.00 H new ATOM 0 HA PHE C 27 63.457 3.539 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.528 0.717 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE C 27 64.009 1.007 -3.843 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.243 3.435 -4.564 1.00 0.00 H new ATOM 0 HD2 PHE C 27 63.282 1.100 -1.588 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.950 4.576 -2.781 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.989 2.241 0.194 1.00 0.00 H new ATOM 0 HZ PHE C 27 60.323 3.980 -0.403 1.00 0.00 H new ATOM 438 N VAL C 28 65.344 1.469 -6.621 1.00 0.00 N ATOM 439 CA VAL C 28 66.766 1.237 -6.997 1.00 0.00 C ATOM 440 C VAL C 28 67.007 1.640 -8.454 1.00 0.00 C ATOM 441 O VAL C 28 68.070 1.422 -8.999 1.00 0.00 O ATOM 442 CB VAL C 28 66.976 -0.265 -6.818 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.534 -0.681 -5.414 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.146 -1.020 -7.859 1.00 0.00 C ATOM 0 H VAL C 28 64.661 0.925 -7.148 1.00 0.00 H new ATOM 0 HA VAL C 28 67.454 1.826 -6.390 1.00 0.00 H new ATOM 0 HB VAL C 28 68.032 -0.503 -6.949 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.684 -1.753 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL C 28 67.124 -0.142 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.478 -0.445 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.294 -2.093 -7.734 1.00 0.00 H new ATOM 0 HG22 VAL C 28 65.091 -0.781 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.461 -0.725 -8.860 1.00 0.00 H new ATOM 454 N LEU C 29 66.029 2.223 -9.091 1.00 0.00 N ATOM 455 CA LEU C 29 66.210 2.635 -10.513 1.00 0.00 C ATOM 456 C LEU C 29 67.498 3.448 -10.666 1.00 0.00 C ATOM 457 O LEU C 29 67.529 4.635 -10.412 1.00 0.00 O ATOM 458 CB LEU C 29 64.991 3.499 -10.838 1.00 0.00 C ATOM 459 CG LEU C 29 64.608 3.306 -12.307 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.085 3.286 -12.443 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.178 4.460 -13.137 1.00 0.00 C ATOM 0 H LEU C 29 65.115 2.432 -8.690 1.00 0.00 H new ATOM 0 HA LEU C 29 66.291 1.779 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.155 3.225 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.213 4.548 -10.643 1.00 0.00 H new ATOM 0 HG LEU C 29 65.015 2.361 -12.666 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.815 3.148 -13.490 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.678 2.465 -11.852 1.00 0.00 H new ATOM 0 HD13 LEU C 29 62.675 4.230 -12.084 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.906 4.324 -14.184 1.00 0.00 H new ATOM 0 HD22 LEU C 29 64.770 5.404 -12.776 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.264 4.474 -13.043 1.00 0.00 H new ATOM 473 N GLY C 30 68.563 2.816 -11.078 1.00 0.00 N ATOM 474 CA GLY C 30 69.848 3.550 -11.245 1.00 0.00 C ATOM 475 C GLY C 30 70.938 2.864 -10.420 1.00 0.00 C ATOM 476 O GLY C 30 72.111 3.143 -10.570 1.00 0.00 O ATOM 0 H GLY C 30 68.598 1.822 -11.306 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.133 3.572 -12.297 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.732 4.585 -10.925 1.00 0.00 H new ATOM 480 N ALA C 31 70.561 1.968 -9.550 1.00 0.00 N ATOM 481 CA ALA C 31 71.578 1.264 -8.716 1.00 0.00 C ATOM 482 C ALA C 31 72.346 0.252 -9.569 1.00 0.00 C ATOM 483 O ALA C 31 71.945 -0.082 -10.666 1.00 0.00 O ATOM 484 CB ALA C 31 70.774 0.549 -7.630 1.00 0.00 C ATOM 0 H ALA C 31 69.594 1.692 -9.380 1.00 0.00 H new ATOM 0 HA ALA C 31 72.313 1.949 -8.293 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.453 0.006 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA C 31 70.215 1.282 -7.049 1.00 0.00 H new ATOM 0 HB3 ALA C 31 70.079 -0.152 -8.093 1.00 0.00 H new ATOM 490 N GLU C 32 73.450 -0.239 -9.075 1.00 0.00 N ATOM 491 CA GLU C 32 74.243 -1.229 -9.860 1.00 0.00 C ATOM 492 C GLU C 32 74.041 -2.639 -9.298 1.00 0.00 C ATOM 493 O GLU C 32 73.696 -3.559 -10.013 1.00 0.00 O ATOM 494 CB GLU C 32 75.697 -0.786 -9.697 1.00 0.00 C ATOM 495 CG GLU C 32 76.595 -1.650 -10.584 1.00 0.00 C ATOM 496 CD GLU C 32 76.932 -2.951 -9.856 1.00 0.00 C ATOM 497 OE1 GLU C 32 76.893 -2.953 -8.637 1.00 0.00 O ATOM 498 OE2 GLU C 32 77.222 -3.926 -10.530 1.00 0.00 O ATOM 0 H GLU C 32 73.837 0.002 -8.163 1.00 0.00 H new ATOM 0 HA GLU C 32 73.942 -1.263 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.801 0.264 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.002 -0.877 -8.654 1.00 0.00 H new ATOM 0 HG2 GLU C 32 76.092 -1.868 -11.526 1.00 0.00 H new ATOM 0 HG3 GLU C 32 77.510 -1.110 -10.829 1.00 0.00 H new ATOM 505 N ASP C 33 74.255 -2.818 -8.023 1.00 0.00 N ATOM 506 CA ASP C 33 74.075 -4.170 -7.420 1.00 0.00 C ATOM 507 C ASP C 33 72.590 -4.446 -7.173 1.00 0.00 C ATOM 508 O ASP C 33 72.217 -5.482 -6.659 1.00 0.00 O ATOM 509 CB ASP C 33 74.839 -4.118 -6.096 1.00 0.00 C ATOM 510 CG ASP C 33 76.341 -4.052 -6.376 1.00 0.00 C ATOM 511 OD1 ASP C 33 76.815 -4.865 -7.151 1.00 0.00 O ATOM 512 OD2 ASP C 33 76.991 -3.188 -5.811 1.00 0.00 O ATOM 0 H ASP C 33 74.546 -2.088 -7.373 1.00 0.00 H new ATOM 0 HA ASP C 33 74.441 -4.964 -8.071 1.00 0.00 H new ATOM 0 HB2 ASP C 33 74.527 -3.248 -5.518 1.00 0.00 H new ATOM 0 HB3 ASP C 33 74.608 -4.998 -5.496 1.00 0.00 H new ATOM 517 N GLY C 34 71.739 -3.525 -7.535 1.00 0.00 N ATOM 518 CA GLY C 34 70.280 -3.735 -7.321 1.00 0.00 C ATOM 519 C GLY C 34 69.957 -3.604 -5.831 1.00 0.00 C ATOM 520 O GLY C 34 69.359 -4.478 -5.237 1.00 0.00 O ATOM 0 H GLY C 34 71.991 -2.637 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.709 -3.004 -7.893 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.987 -4.721 -7.682 1.00 0.00 H new ATOM 524 N CYS C 35 70.346 -2.516 -5.224 1.00 0.00 N ATOM 525 CA CYS C 35 70.058 -2.330 -3.773 1.00 0.00 C ATOM 526 C CYS C 35 69.691 -0.871 -3.493 1.00 0.00 C ATOM 527 O CYS C 35 69.900 -0.001 -4.314 1.00 0.00 O ATOM 528 CB CYS C 35 71.355 -2.709 -3.058 1.00 0.00 C ATOM 529 SG CYS C 35 71.718 -4.458 -3.356 1.00 0.00 S ATOM 0 H CYS C 35 70.850 -1.749 -5.669 1.00 0.00 H new ATOM 0 HA CYS C 35 69.219 -2.938 -3.435 1.00 0.00 H new ATOM 0 HB2 CYS C 35 72.176 -2.089 -3.418 1.00 0.00 H new ATOM 0 HB3 CYS C 35 71.261 -2.523 -1.988 1.00 0.00 H new ATOM 0 HG CYS C 35 70.785 -4.974 -4.099 1.00 0.00 H new ATOM 535 N ILE C 36 69.143 -0.596 -2.342 1.00 0.00 N ATOM 536 CA ILE C 36 68.758 0.807 -2.014 1.00 0.00 C ATOM 537 C ILE C 36 69.717 1.395 -0.975 1.00 0.00 C ATOM 538 O ILE C 36 70.075 0.752 -0.008 1.00 0.00 O ATOM 539 CB ILE C 36 67.344 0.704 -1.443 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.471 -0.127 -2.388 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.747 2.106 -1.298 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.212 -0.583 -1.649 1.00 0.00 C ATOM 0 H ILE C 36 68.945 -1.282 -1.613 1.00 0.00 H new ATOM 0 HA ILE C 36 68.801 1.461 -2.885 1.00 0.00 H new ATOM 0 HB ILE C 36 67.382 0.223 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE C 36 66.199 0.464 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE C 36 67.028 -0.992 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.739 2.032 -0.891 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.367 2.698 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.709 2.588 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.590 -1.175 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.495 -1.189 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.653 0.289 -1.311 1.00 0.00 H new ATOM 554 N SER C 37 70.130 2.617 -1.168 1.00 0.00 N ATOM 555 CA SER C 37 71.063 3.260 -0.198 1.00 0.00 C ATOM 556 C SER C 37 70.541 4.646 0.174 1.00 0.00 C ATOM 557 O SER C 37 71.297 5.548 0.465 1.00 0.00 O ATOM 558 CB SER C 37 72.381 3.382 -0.948 1.00 0.00 C ATOM 559 OG SER C 37 73.453 3.028 -0.084 1.00 0.00 O ATOM 0 H SER C 37 69.861 3.201 -1.959 1.00 0.00 H new ATOM 0 HA SER C 37 71.167 2.689 0.725 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.375 2.732 -1.823 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.513 4.402 -1.309 1.00 0.00 H new ATOM 0 HG SER C 37 74.302 3.105 -0.567 1.00 0.00 H new ATOM 565 N THR C 38 69.248 4.813 0.142 1.00 0.00 N ATOM 566 CA THR C 38 68.611 6.134 0.465 1.00 0.00 C ATOM 567 C THR C 38 68.794 7.106 -0.706 1.00 0.00 C ATOM 568 O THR C 38 67.863 7.771 -1.115 1.00 0.00 O ATOM 569 CB THR C 38 69.294 6.681 1.731 1.00 0.00 C ATOM 570 OG1 THR C 38 70.435 7.446 1.369 1.00 0.00 O ATOM 571 CG2 THR C 38 69.707 5.538 2.657 1.00 0.00 C ATOM 0 H THR C 38 68.586 4.076 -0.099 1.00 0.00 H new ATOM 0 HA THR C 38 67.541 6.015 0.635 1.00 0.00 H new ATOM 0 HB THR C 38 68.585 7.317 2.262 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.138 6.848 1.040 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.188 5.946 3.546 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.824 4.970 2.950 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.404 4.882 2.136 1.00 0.00 H new ATOM 579 N LYS C 39 69.978 7.188 -1.261 1.00 0.00 N ATOM 580 CA LYS C 39 70.195 8.110 -2.412 1.00 0.00 C ATOM 581 C LYS C 39 69.021 7.987 -3.383 1.00 0.00 C ATOM 582 O LYS C 39 68.541 8.962 -3.926 1.00 0.00 O ATOM 583 CB LYS C 39 71.490 7.630 -3.070 1.00 0.00 C ATOM 584 CG LYS C 39 72.431 8.818 -3.276 1.00 0.00 C ATOM 585 CD LYS C 39 73.720 8.596 -2.482 1.00 0.00 C ATOM 586 CE LYS C 39 74.467 7.385 -3.047 1.00 0.00 C ATOM 587 NZ LYS C 39 75.243 6.842 -1.897 1.00 0.00 N ATOM 0 H LYS C 39 70.798 6.658 -0.967 1.00 0.00 H new ATOM 0 HA LYS C 39 70.264 9.155 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.970 6.877 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.270 7.157 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.660 8.934 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS C 39 71.946 9.739 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS C 39 74.351 9.483 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.488 8.435 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.774 6.642 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS C 39 75.125 7.674 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.783 6.008 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 75.899 7.569 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 74.590 6.569 -1.135 1.00 0.00 H new ATOM 601 N GLU C 40 68.542 6.790 -3.588 1.00 0.00 N ATOM 602 CA GLU C 40 67.385 6.594 -4.501 1.00 0.00 C ATOM 603 C GLU C 40 66.091 6.818 -3.719 1.00 0.00 C ATOM 604 O GLU C 40 65.057 7.138 -4.274 1.00 0.00 O ATOM 605 CB GLU C 40 67.483 5.139 -4.969 1.00 0.00 C ATOM 606 CG GLU C 40 68.918 4.829 -5.402 1.00 0.00 C ATOM 607 CD GLU C 40 69.191 5.478 -6.759 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.498 6.426 -7.091 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.088 5.016 -7.445 1.00 0.00 O ATOM 0 H GLU C 40 68.905 5.938 -3.160 1.00 0.00 H new ATOM 0 HA GLU C 40 67.390 7.285 -5.344 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.183 4.468 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU C 40 66.798 4.967 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.622 5.203 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.065 3.751 -5.466 1.00 0.00 H new ATOM 616 N LEU C 41 66.150 6.647 -2.427 1.00 0.00 N ATOM 617 CA LEU C 41 64.939 6.841 -1.580 1.00 0.00 C ATOM 618 C LEU C 41 64.480 8.301 -1.619 1.00 0.00 C ATOM 619 O LEU C 41 63.468 8.628 -2.207 1.00 0.00 O ATOM 620 CB LEU C 41 65.391 6.469 -0.167 1.00 0.00 C ATOM 621 CG LEU C 41 64.203 6.569 0.785 1.00 0.00 C ATOM 622 CD1 LEU C 41 63.062 5.707 0.253 1.00 0.00 C ATOM 623 CD2 LEU C 41 64.614 6.070 2.173 1.00 0.00 C ATOM 0 H LEU C 41 66.992 6.379 -1.918 1.00 0.00 H new ATOM 0 HA LEU C 41 64.099 6.238 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.796 5.457 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.190 7.135 0.159 1.00 0.00 H new ATOM 0 HG LEU C 41 63.878 7.607 0.857 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.210 5.774 0.929 1.00 0.00 H new ATOM 0 HD12 LEU C 41 62.770 6.060 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU C 41 63.391 4.670 0.185 1.00 0.00 H new ATOM 0 HD21 LEU C 41 63.764 6.142 2.852 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.937 5.031 2.105 1.00 0.00 H new ATOM 0 HD23 LEU C 41 65.434 6.681 2.551 1.00 0.00 H new ATOM 635 N GLY C 42 65.214 9.178 -0.986 1.00 0.00 N ATOM 636 CA GLY C 42 64.823 10.616 -0.972 1.00 0.00 C ATOM 637 C GLY C 42 64.331 11.035 -2.358 1.00 0.00 C ATOM 638 O GLY C 42 63.415 11.821 -2.490 1.00 0.00 O ATOM 0 H GLY C 42 66.070 8.958 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.039 10.782 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.674 11.230 -0.677 1.00 0.00 H new ATOM 642 N LYS C 43 64.930 10.516 -3.394 1.00 0.00 N ATOM 643 CA LYS C 43 64.490 10.888 -4.769 1.00 0.00 C ATOM 644 C LYS C 43 62.999 10.587 -4.944 1.00 0.00 C ATOM 645 O LYS C 43 62.292 11.286 -5.641 1.00 0.00 O ATOM 646 CB LYS C 43 65.330 10.018 -5.705 1.00 0.00 C ATOM 647 CG LYS C 43 66.749 10.585 -5.791 1.00 0.00 C ATOM 648 CD LYS C 43 66.906 11.381 -7.087 1.00 0.00 C ATOM 649 CE LYS C 43 67.186 12.848 -6.755 1.00 0.00 C ATOM 650 NZ LYS C 43 68.653 13.013 -6.955 1.00 0.00 N ATOM 0 H LYS C 43 65.703 9.852 -3.349 1.00 0.00 H new ATOM 0 HA LYS C 43 64.625 11.950 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.358 8.992 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.878 9.989 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.948 11.226 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.478 9.775 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS C 43 67.721 10.970 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.000 11.300 -7.688 1.00 0.00 H new ATOM 0 HE2 LYS C 43 66.621 13.515 -7.406 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.898 13.083 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 68.923 13.995 -6.746 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 69.165 12.370 -6.317 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 68.896 12.789 -7.941 1.00 0.00 H new ATOM 664 N VAL C 44 62.517 9.550 -4.315 1.00 0.00 N ATOM 665 CA VAL C 44 61.073 9.204 -4.445 1.00 0.00 C ATOM 666 C VAL C 44 60.246 9.984 -3.418 1.00 0.00 C ATOM 667 O VAL C 44 59.052 10.151 -3.567 1.00 0.00 O ATOM 668 CB VAL C 44 61.000 7.704 -4.164 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.540 7.291 -3.969 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.592 6.939 -5.349 1.00 0.00 C ATOM 0 H VAL C 44 63.060 8.928 -3.717 1.00 0.00 H new ATOM 0 HA VAL C 44 60.675 9.455 -5.428 1.00 0.00 H new ATOM 0 HB VAL C 44 61.565 7.474 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL C 44 59.488 6.221 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL C 44 59.116 7.839 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.974 7.519 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL C 44 61.542 5.868 -5.152 1.00 0.00 H new ATOM 0 HG22 VAL C 44 61.025 7.169 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.632 7.234 -5.489 1.00 0.00 H new ATOM 680 N MET C 45 60.872 10.462 -2.377 1.00 0.00 N ATOM 681 CA MET C 45 60.118 11.230 -1.344 1.00 0.00 C ATOM 682 C MET C 45 59.551 12.514 -1.951 1.00 0.00 C ATOM 683 O MET C 45 58.364 12.766 -1.890 1.00 0.00 O ATOM 684 CB MET C 45 61.146 11.549 -0.259 1.00 0.00 C ATOM 685 CG MET C 45 61.213 10.387 0.735 1.00 0.00 C ATOM 686 SD MET C 45 61.584 8.853 -0.150 1.00 0.00 S ATOM 687 CE MET C 45 59.877 8.409 -0.554 1.00 0.00 C ATOM 0 H MET C 45 61.870 10.355 -2.197 1.00 0.00 H new ATOM 0 HA MET C 45 59.271 10.670 -0.946 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.125 11.715 -0.708 1.00 0.00 H new ATOM 0 HB3 MET C 45 60.872 12.469 0.258 1.00 0.00 H new ATOM 0 HG2 MET C 45 61.980 10.581 1.485 1.00 0.00 H new ATOM 0 HG3 MET C 45 60.265 10.293 1.265 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.852 7.402 -0.969 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.268 8.444 0.349 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.481 9.113 -1.286 1.00 0.00 H new ATOM 697 N ARG C 46 60.383 13.324 -2.544 1.00 0.00 N ATOM 698 CA ARG C 46 59.875 14.582 -3.157 1.00 0.00 C ATOM 699 C ARG C 46 58.740 14.258 -4.132 1.00 0.00 C ATOM 700 O ARG C 46 57.926 15.099 -4.458 1.00 0.00 O ATOM 701 CB ARG C 46 61.073 15.180 -3.899 1.00 0.00 C ATOM 702 CG ARG C 46 61.676 14.129 -4.831 1.00 0.00 C ATOM 703 CD ARG C 46 62.003 14.772 -6.182 1.00 0.00 C ATOM 704 NE ARG C 46 63.073 13.918 -6.768 1.00 0.00 N ATOM 705 CZ ARG C 46 62.955 13.472 -7.988 1.00 0.00 C ATOM 706 NH1 ARG C 46 63.364 14.200 -8.992 1.00 0.00 N ATOM 707 NH2 ARG C 46 62.425 12.300 -8.206 1.00 0.00 N ATOM 0 H ARG C 46 61.388 13.170 -2.630 1.00 0.00 H new ATOM 0 HA ARG C 46 59.476 15.276 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG C 46 60.760 16.052 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.823 15.520 -3.185 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.579 13.710 -4.388 1.00 0.00 H new ATOM 0 HG3 ARG C 46 60.976 13.305 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG C 46 61.125 14.802 -6.827 1.00 0.00 H new ATOM 0 HD3 ARG C 46 62.343 15.800 -6.058 1.00 0.00 H new ATOM 0 HE ARG C 46 63.897 13.682 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG C 46 63.776 15.118 -8.822 1.00 0.00 H new ATOM 0 HH12 ARG C 46 63.272 13.851 -9.946 1.00 0.00 H new ATOM 0 HH21 ARG C 46 62.103 11.732 -7.422 1.00 0.00 H new ATOM 0 HH22 ARG C 46 62.333 11.951 -9.160 1.00 0.00 H new ATOM 721 N MET C 47 58.679 13.038 -4.594 1.00 0.00 N ATOM 722 CA MET C 47 57.596 12.650 -5.544 1.00 0.00 C ATOM 723 C MET C 47 56.342 12.224 -4.773 1.00 0.00 C ATOM 724 O MET C 47 55.230 12.445 -5.212 1.00 0.00 O ATOM 725 CB MET C 47 58.167 11.474 -6.336 1.00 0.00 C ATOM 726 CG MET C 47 59.212 11.989 -7.329 1.00 0.00 C ATOM 727 SD MET C 47 59.165 10.982 -8.831 1.00 0.00 S ATOM 728 CE MET C 47 59.512 9.391 -8.044 1.00 0.00 C ATOM 0 H MET C 47 59.333 12.293 -4.355 1.00 0.00 H new ATOM 0 HA MET C 47 57.302 13.474 -6.194 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.619 10.750 -5.658 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.368 10.957 -6.867 1.00 0.00 H new ATOM 0 HG2 MET C 47 59.015 13.033 -7.572 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.205 11.948 -6.882 1.00 0.00 H new ATOM 0 HE1 MET C 47 59.443 8.595 -8.786 1.00 0.00 H new ATOM 0 HE2 MET C 47 60.516 9.406 -7.620 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.786 9.212 -7.251 1.00 0.00 H new ATOM 738 N LEU C 48 56.510 11.619 -3.627 1.00 0.00 N ATOM 739 CA LEU C 48 55.322 11.187 -2.835 1.00 0.00 C ATOM 740 C LEU C 48 54.655 12.401 -2.183 1.00 0.00 C ATOM 741 O LEU C 48 53.491 12.671 -2.399 1.00 0.00 O ATOM 742 CB LEU C 48 55.871 10.235 -1.767 1.00 0.00 C ATOM 743 CG LEU C 48 56.358 8.933 -2.417 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.478 7.848 -1.346 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.362 8.474 -3.486 1.00 0.00 C ATOM 0 H LEU C 48 57.415 11.406 -3.207 1.00 0.00 H new ATOM 0 HA LEU C 48 54.568 10.703 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.692 10.712 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU C 48 55.096 10.016 -1.032 1.00 0.00 H new ATOM 0 HG LEU C 48 57.328 9.108 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU C 48 56.824 6.921 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.191 8.165 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU C 48 55.504 7.683 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.717 7.549 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.389 8.302 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU C 48 55.270 9.244 -4.252 1.00 0.00 H new ATOM 757 N GLY C 49 55.385 13.135 -1.389 1.00 0.00 N ATOM 758 CA GLY C 49 54.788 14.332 -0.729 1.00 0.00 C ATOM 759 C GLY C 49 55.559 14.658 0.553 1.00 0.00 C ATOM 760 O GLY C 49 54.990 15.089 1.536 1.00 0.00 O ATOM 0 H GLY C 49 56.365 12.959 -1.169 1.00 0.00 H new ATOM 0 HA2 GLY C 49 54.816 15.184 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY C 49 53.740 14.145 -0.496 1.00 0.00 H new ATOM 764 N GLN C 50 56.848 14.458 0.552 1.00 0.00 N ATOM 765 CA GLN C 50 57.648 14.761 1.771 1.00 0.00 C ATOM 766 C GLN C 50 59.079 15.135 1.381 1.00 0.00 C ATOM 767 O GLN C 50 59.363 15.445 0.241 1.00 0.00 O ATOM 768 CB GLN C 50 57.637 13.468 2.586 1.00 0.00 C ATOM 769 CG GLN C 50 57.104 13.754 3.991 1.00 0.00 C ATOM 770 CD GLN C 50 56.992 12.444 4.773 1.00 0.00 C ATOM 771 OE1 GLN C 50 57.422 12.360 5.906 1.00 0.00 O ATOM 772 NE2 GLN C 50 56.426 11.410 4.213 1.00 0.00 N ATOM 0 H GLN C 50 57.381 14.098 -0.240 1.00 0.00 H new ATOM 0 HA GLN C 50 57.240 15.600 2.334 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.014 12.721 2.094 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.644 13.054 2.645 1.00 0.00 H new ATOM 0 HG2 GLN C 50 57.770 14.444 4.510 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.129 14.237 3.930 1.00 0.00 H new ATOM 0 HE21 GLN C 50 56.065 11.479 3.262 1.00 0.00 H new ATOM 0 HE22 GLN C 50 56.345 10.532 4.727 1.00 0.00 H new ATOM 781 N ASN C 51 59.983 15.104 2.321 1.00 0.00 N ATOM 782 CA ASN C 51 61.399 15.450 2.011 1.00 0.00 C ATOM 783 C ASN C 51 62.274 15.205 3.243 1.00 0.00 C ATOM 784 O ASN C 51 62.686 16.134 3.909 1.00 0.00 O ATOM 785 CB ASN C 51 61.380 16.938 1.649 1.00 0.00 C ATOM 786 CG ASN C 51 60.806 17.745 2.816 1.00 0.00 C ATOM 787 OD1 ASN C 51 61.529 18.149 3.705 1.00 0.00 O ATOM 788 ND2 ASN C 51 59.527 18.002 2.850 1.00 0.00 N ATOM 0 H ASN C 51 59.802 14.853 3.293 1.00 0.00 H new ATOM 0 HA ASN C 51 61.807 14.846 1.201 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.389 17.279 1.420 1.00 0.00 H new ATOM 0 HB3 ASN C 51 60.779 17.097 0.754 1.00 0.00 H new ATOM 0 HD21 ASN C 51 59.136 18.541 3.622 1.00 0.00 H new ATOM 0 HD22 ASN C 51 58.919 17.664 2.104 1.00 0.00 H new ATOM 795 N PRO C 52 62.528 13.950 3.503 1.00 0.00 N ATOM 796 CA PRO C 52 63.361 13.568 4.670 1.00 0.00 C ATOM 797 C PRO C 52 64.827 13.934 4.421 1.00 0.00 C ATOM 798 O PRO C 52 65.339 13.780 3.330 1.00 0.00 O ATOM 799 CB PRO C 52 63.185 12.055 4.756 1.00 0.00 C ATOM 800 CG PRO C 52 62.818 11.630 3.371 1.00 0.00 C ATOM 801 CD PRO C 52 62.070 12.780 2.744 1.00 0.00 C ATOM 0 HA PRO C 52 63.072 14.078 5.589 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.102 11.569 5.088 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.406 11.788 5.470 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.709 11.388 2.792 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.199 10.733 3.393 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.300 12.876 1.683 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.991 12.647 2.825 1.00 0.00 H new ATOM 809 N THR C 53 65.504 14.418 5.424 1.00 0.00 N ATOM 810 CA THR C 53 66.935 14.795 5.244 1.00 0.00 C ATOM 811 C THR C 53 67.778 13.548 4.963 1.00 0.00 C ATOM 812 O THR C 53 67.307 12.437 5.096 1.00 0.00 O ATOM 813 CB THR C 53 67.345 15.433 6.572 1.00 0.00 C ATOM 814 OG1 THR C 53 66.606 14.837 7.629 1.00 0.00 O ATOM 815 CG2 THR C 53 67.054 16.935 6.528 1.00 0.00 C ATOM 0 H THR C 53 65.129 14.569 6.361 1.00 0.00 H new ATOM 0 HA THR C 53 67.082 15.473 4.404 1.00 0.00 H new ATOM 0 HB THR C 53 68.411 15.275 6.739 1.00 0.00 H new ATOM 0 HG1 THR C 53 66.869 15.243 8.481 1.00 0.00 H new ATOM 0 HG21 THR C 53 67.346 17.390 7.474 1.00 0.00 H new ATOM 0 HG22 THR C 53 67.620 17.392 5.716 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.989 17.094 6.362 1.00 0.00 H new ATOM 823 N PRO C 54 69.004 13.782 4.585 1.00 0.00 N ATOM 824 CA PRO C 54 69.936 12.668 4.281 1.00 0.00 C ATOM 825 C PRO C 54 70.318 11.927 5.565 1.00 0.00 C ATOM 826 O PRO C 54 70.458 10.719 5.579 1.00 0.00 O ATOM 827 CB PRO C 54 71.147 13.371 3.670 1.00 0.00 C ATOM 828 CG PRO C 54 71.092 14.765 4.207 1.00 0.00 C ATOM 829 CD PRO C 54 69.637 15.094 4.409 1.00 0.00 C ATOM 0 HA PRO C 54 69.508 11.917 3.616 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.076 12.875 3.952 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.100 13.365 2.581 1.00 0.00 H new ATOM 0 HG2 PRO C 54 71.640 14.840 5.146 1.00 0.00 H new ATOM 0 HG3 PRO C 54 71.554 15.466 3.512 1.00 0.00 H new ATOM 0 HD2 PRO C 54 69.488 15.731 5.281 1.00 0.00 H new ATOM 0 HD3 PRO C 54 69.224 15.626 3.552 1.00 0.00 H new ATOM 837 N GLU C 55 70.482 12.638 6.647 1.00 0.00 N ATOM 838 CA GLU C 55 70.848 11.970 7.929 1.00 0.00 C ATOM 839 C GLU C 55 69.680 11.112 8.422 1.00 0.00 C ATOM 840 O GLU C 55 69.867 10.021 8.923 1.00 0.00 O ATOM 841 CB GLU C 55 71.129 13.112 8.906 1.00 0.00 C ATOM 842 CG GLU C 55 71.490 12.535 10.275 1.00 0.00 C ATOM 843 CD GLU C 55 70.779 13.336 11.368 1.00 0.00 C ATOM 844 OE1 GLU C 55 70.444 14.480 11.114 1.00 0.00 O ATOM 845 OE2 GLU C 55 70.582 12.790 12.442 1.00 0.00 O ATOM 0 H GLU C 55 70.379 13.651 6.699 1.00 0.00 H new ATOM 0 HA GLU C 55 71.708 11.309 7.823 1.00 0.00 H new ATOM 0 HB2 GLU C 55 71.945 13.731 8.534 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.254 13.756 8.990 1.00 0.00 H new ATOM 0 HG2 GLU C 55 71.197 11.486 10.329 1.00 0.00 H new ATOM 0 HG3 GLU C 55 72.569 12.573 10.425 1.00 0.00 H new ATOM 852 N GLU C 56 68.475 11.594 8.278 1.00 0.00 N ATOM 853 CA GLU C 56 67.295 10.802 8.732 1.00 0.00 C ATOM 854 C GLU C 56 66.947 9.741 7.686 1.00 0.00 C ATOM 855 O GLU C 56 66.325 8.740 7.983 1.00 0.00 O ATOM 856 CB GLU C 56 66.161 11.821 8.862 1.00 0.00 C ATOM 857 CG GLU C 56 65.705 11.898 10.321 1.00 0.00 C ATOM 858 CD GLU C 56 65.180 13.303 10.618 1.00 0.00 C ATOM 859 OE1 GLU C 56 65.987 14.162 10.932 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.978 13.496 10.527 1.00 0.00 O ATOM 0 H GLU C 56 68.256 12.501 7.866 1.00 0.00 H new ATOM 0 HA GLU C 56 67.480 10.279 9.670 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.498 12.801 8.524 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.325 11.534 8.224 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.925 11.160 10.509 1.00 0.00 H new ATOM 0 HG3 GLU C 56 66.536 11.661 10.986 1.00 0.00 H new ATOM 867 N LEU C 57 67.347 9.953 6.462 1.00 0.00 N ATOM 868 CA LEU C 57 67.046 8.959 5.394 1.00 0.00 C ATOM 869 C LEU C 57 67.368 7.546 5.885 1.00 0.00 C ATOM 870 O LEU C 57 66.506 6.694 5.966 1.00 0.00 O ATOM 871 CB LEU C 57 67.969 9.335 4.232 1.00 0.00 C ATOM 872 CG LEU C 57 67.145 9.835 3.042 1.00 0.00 C ATOM 873 CD1 LEU C 57 68.042 9.899 1.804 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.981 8.876 2.775 1.00 0.00 C ATOM 0 H LEU C 57 67.870 10.773 6.155 1.00 0.00 H new ATOM 0 HA LEU C 57 65.995 8.970 5.105 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.669 10.108 4.549 1.00 0.00 H new ATOM 0 HB3 LEU C 57 68.562 8.470 3.935 1.00 0.00 H new ATOM 0 HG LEU C 57 66.749 10.825 3.266 1.00 0.00 H new ATOM 0 HD11 LEU C 57 67.462 10.254 0.952 1.00 0.00 H new ATOM 0 HD12 LEU C 57 68.870 10.583 1.990 1.00 0.00 H new ATOM 0 HD13 LEU C 57 68.434 8.905 1.587 1.00 0.00 H new ATOM 0 HD21 LEU C 57 65.399 9.237 1.927 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.372 7.884 2.550 1.00 0.00 H new ATOM 0 HD23 LEU C 57 65.343 8.824 3.657 1.00 0.00 H new ATOM 886 N GLN C 58 68.606 7.294 6.212 1.00 0.00 N ATOM 887 CA GLN C 58 68.988 5.938 6.698 1.00 0.00 C ATOM 888 C GLN C 58 67.964 5.438 7.718 1.00 0.00 C ATOM 889 O GLN C 58 67.644 4.268 7.768 1.00 0.00 O ATOM 890 CB GLN C 58 70.355 6.124 7.353 1.00 0.00 C ATOM 891 CG GLN C 58 71.446 5.637 6.398 1.00 0.00 C ATOM 892 CD GLN C 58 72.223 4.493 7.050 1.00 0.00 C ATOM 893 OE1 GLN C 58 72.867 4.682 8.063 1.00 0.00 O ATOM 894 NE2 GLN C 58 72.188 3.306 6.511 1.00 0.00 N ATOM 0 H GLN C 58 69.369 7.969 6.164 1.00 0.00 H new ATOM 0 HA GLN C 58 69.020 5.202 5.894 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.513 7.174 7.598 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.401 5.568 8.289 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.001 5.301 5.462 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.122 6.456 6.153 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.647 3.148 5.661 1.00 0.00 H new ATOM 0 HE22 GLN C 58 72.701 2.536 6.940 1.00 0.00 H new ATOM 903 N GLU C 59 67.441 6.317 8.530 1.00 0.00 N ATOM 904 CA GLU C 59 66.433 5.886 9.538 1.00 0.00 C ATOM 905 C GLU C 59 65.363 5.029 8.861 1.00 0.00 C ATOM 906 O GLU C 59 64.818 4.117 9.449 1.00 0.00 O ATOM 907 CB GLU C 59 65.825 7.185 10.072 1.00 0.00 C ATOM 908 CG GLU C 59 65.172 6.924 11.430 1.00 0.00 C ATOM 909 CD GLU C 59 66.246 6.895 12.517 1.00 0.00 C ATOM 910 OE1 GLU C 59 66.920 5.883 12.630 1.00 0.00 O ATOM 911 OE2 GLU C 59 66.378 7.884 13.220 1.00 0.00 O ATOM 0 H GLU C 59 67.668 7.311 8.538 1.00 0.00 H new ATOM 0 HA GLU C 59 66.869 5.287 10.337 1.00 0.00 H new ATOM 0 HB2 GLU C 59 66.598 7.947 10.169 1.00 0.00 H new ATOM 0 HB3 GLU C 59 65.086 7.568 9.369 1.00 0.00 H new ATOM 0 HG2 GLU C 59 64.440 7.701 11.648 1.00 0.00 H new ATOM 0 HG3 GLU C 59 64.634 5.976 11.410 1.00 0.00 H new ATOM 918 N MET C 60 65.066 5.313 7.622 1.00 0.00 N ATOM 919 CA MET C 60 64.036 4.514 6.897 1.00 0.00 C ATOM 920 C MET C 60 64.630 3.174 6.451 1.00 0.00 C ATOM 921 O MET C 60 63.952 2.342 5.880 1.00 0.00 O ATOM 922 CB MET C 60 63.658 5.365 5.683 1.00 0.00 C ATOM 923 CG MET C 60 62.407 6.185 6.005 1.00 0.00 C ATOM 924 SD MET C 60 62.541 7.817 5.234 1.00 0.00 S ATOM 925 CE MET C 60 61.034 7.720 4.237 1.00 0.00 C ATOM 0 H MET C 60 65.492 6.064 7.080 1.00 0.00 H new ATOM 0 HA MET C 60 63.171 4.288 7.520 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.482 6.028 5.419 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.474 4.725 4.820 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.518 5.670 5.640 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.295 6.289 7.084 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.915 8.641 3.667 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.105 6.875 3.552 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.173 7.585 4.891 1.00 0.00 H new ATOM 935 N ILE C 61 65.892 2.960 6.710 1.00 0.00 N ATOM 936 CA ILE C 61 66.534 1.676 6.304 1.00 0.00 C ATOM 937 C ILE C 61 66.738 0.778 7.527 1.00 0.00 C ATOM 938 O ILE C 61 66.279 -0.346 7.570 1.00 0.00 O ATOM 939 CB ILE C 61 67.884 2.080 5.711 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.679 3.179 4.671 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.540 0.865 5.052 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.031 2.572 3.439 1.00 0.00 C ATOM 0 H ILE C 61 66.507 3.620 7.186 1.00 0.00 H new ATOM 0 HA ILE C 61 65.925 1.116 5.594 1.00 0.00 H new ATOM 0 HB ILE C 61 68.530 2.452 6.506 1.00 0.00 H new ATOM 0 HG12 ILE C 61 67.049 3.971 5.077 1.00 0.00 H new ATOM 0 HG13 ILE C 61 68.634 3.634 4.410 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.502 1.155 4.630 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.691 0.084 5.797 1.00 0.00 H new ATOM 0 HG23 ILE C 61 67.894 0.489 4.258 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.879 3.348 2.688 1.00 0.00 H new ATOM 0 HD12 ILE C 61 67.679 1.795 3.033 1.00 0.00 H new ATOM 0 HD13 ILE C 61 66.069 2.137 3.711 1.00 0.00 H new ATOM 954 N ASP C 62 67.431 1.266 8.519 1.00 0.00 N ATOM 955 CA ASP C 62 67.675 0.445 9.739 1.00 0.00 C ATOM 956 C ASP C 62 66.351 -0.055 10.325 1.00 0.00 C ATOM 957 O ASP C 62 66.279 -1.130 10.887 1.00 0.00 O ATOM 958 CB ASP C 62 68.366 1.393 10.719 1.00 0.00 C ATOM 959 CG ASP C 62 69.024 0.583 11.837 1.00 0.00 C ATOM 960 OD1 ASP C 62 68.348 -0.256 12.410 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.193 0.813 12.101 1.00 0.00 O ATOM 0 H ASP C 62 67.840 2.200 8.537 1.00 0.00 H new ATOM 0 HA ASP C 62 68.277 -0.438 9.524 1.00 0.00 H new ATOM 0 HB2 ASP C 62 69.116 1.988 10.198 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.641 2.090 11.139 1.00 0.00 H new ATOM 966 N GLU C 63 65.307 0.715 10.202 1.00 0.00 N ATOM 967 CA GLU C 63 63.992 0.280 10.758 1.00 0.00 C ATOM 968 C GLU C 63 63.601 -1.090 10.196 1.00 0.00 C ATOM 969 O GLU C 63 63.218 -1.983 10.926 1.00 0.00 O ATOM 970 CB GLU C 63 62.997 1.349 10.308 1.00 0.00 C ATOM 971 CG GLU C 63 62.606 2.217 11.507 1.00 0.00 C ATOM 972 CD GLU C 63 61.799 3.425 11.024 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.487 3.471 9.845 1.00 0.00 O ATOM 974 OE2 GLU C 63 61.507 4.282 11.841 1.00 0.00 O ATOM 0 H GLU C 63 65.305 1.625 9.742 1.00 0.00 H new ATOM 0 HA GLU C 63 64.019 0.179 11.843 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.439 1.967 9.526 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.111 0.880 9.880 1.00 0.00 H new ATOM 0 HG2 GLU C 63 62.018 1.633 12.215 1.00 0.00 H new ATOM 0 HG3 GLU C 63 63.500 2.551 12.034 1.00 0.00 H new ATOM 981 N VAL C 64 63.693 -1.263 8.907 1.00 0.00 N ATOM 982 CA VAL C 64 63.322 -2.575 8.305 1.00 0.00 C ATOM 983 C VAL C 64 64.576 -3.333 7.857 1.00 0.00 C ATOM 984 O VAL C 64 64.606 -3.930 6.799 1.00 0.00 O ATOM 985 CB VAL C 64 62.448 -2.225 7.099 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.212 -1.456 7.572 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.247 -1.355 6.127 1.00 0.00 C ATOM 0 H VAL C 64 64.008 -0.554 8.245 1.00 0.00 H new ATOM 0 HA VAL C 64 62.802 -3.219 9.014 1.00 0.00 H new ATOM 0 HB VAL C 64 62.137 -3.141 6.597 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.588 -1.206 6.714 1.00 0.00 H new ATOM 0 HG12 VAL C 64 60.643 -2.074 8.266 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.523 -0.540 8.073 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.625 -1.105 5.267 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.557 -0.439 6.629 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.129 -1.901 5.791 1.00 0.00 H new ATOM 997 N ASP C 65 65.609 -3.316 8.655 1.00 0.00 N ATOM 998 CA ASP C 65 66.857 -4.039 8.275 1.00 0.00 C ATOM 999 C ASP C 65 67.159 -5.142 9.294 1.00 0.00 C ATOM 1000 O ASP C 65 66.845 -5.023 10.461 1.00 0.00 O ATOM 1001 CB ASP C 65 67.953 -2.974 8.295 1.00 0.00 C ATOM 1002 CG ASP C 65 69.272 -3.588 7.820 1.00 0.00 C ATOM 1003 OD1 ASP C 65 69.753 -4.492 8.483 1.00 0.00 O ATOM 1004 OD2 ASP C 65 69.775 -3.145 6.802 1.00 0.00 O ATOM 0 H ASP C 65 65.643 -2.833 9.553 1.00 0.00 H new ATOM 0 HA ASP C 65 66.776 -4.521 7.301 1.00 0.00 H new ATOM 0 HB2 ASP C 65 67.675 -2.140 7.651 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.068 -2.574 9.303 1.00 0.00 H new ATOM 1009 N GLU C 66 67.762 -6.217 8.862 1.00 0.00 N ATOM 1010 CA GLU C 66 68.077 -7.325 9.810 1.00 0.00 C ATOM 1011 C GLU C 66 69.571 -7.659 9.766 1.00 0.00 C ATOM 1012 O GLU C 66 69.992 -8.715 10.195 1.00 0.00 O ATOM 1013 CB GLU C 66 67.251 -8.515 9.319 1.00 0.00 C ATOM 1014 CG GLU C 66 65.783 -8.315 9.703 1.00 0.00 C ATOM 1015 CD GLU C 66 65.579 -8.709 11.166 1.00 0.00 C ATOM 1016 OE1 GLU C 66 66.135 -8.042 12.023 1.00 0.00 O ATOM 1017 OE2 GLU C 66 64.872 -9.674 11.406 1.00 0.00 O ATOM 0 H GLU C 66 68.049 -6.376 7.896 1.00 0.00 H new ATOM 0 HA GLU C 66 67.842 -7.060 10.841 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.344 -8.614 8.237 1.00 0.00 H new ATOM 0 HB3 GLU C 66 67.629 -9.439 9.757 1.00 0.00 H new ATOM 0 HG2 GLU C 66 65.495 -7.274 9.552 1.00 0.00 H new ATOM 0 HG3 GLU C 66 65.143 -8.919 9.060 1.00 0.00 H new ATOM 1024 N ASP C 67 70.376 -6.769 9.254 1.00 0.00 N ATOM 1025 CA ASP C 67 71.842 -7.042 9.188 1.00 0.00 C ATOM 1026 C ASP C 67 72.632 -5.746 9.379 1.00 0.00 C ATOM 1027 O ASP C 67 73.660 -5.724 10.027 1.00 0.00 O ATOM 1028 CB ASP C 67 72.080 -7.617 7.790 1.00 0.00 C ATOM 1029 CG ASP C 67 71.309 -6.791 6.758 1.00 0.00 C ATOM 1030 OD1 ASP C 67 70.101 -6.945 6.689 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.940 -6.019 6.056 1.00 0.00 O ATOM 0 H ASP C 67 70.084 -5.866 8.879 1.00 0.00 H new ATOM 0 HA ASP C 67 72.168 -7.729 9.969 1.00 0.00 H new ATOM 0 HB2 ASP C 67 73.145 -7.606 7.558 1.00 0.00 H new ATOM 0 HB3 ASP C 67 71.756 -8.657 7.754 1.00 0.00 H new ATOM 1036 N GLY C 68 72.162 -4.664 8.821 1.00 0.00 N ATOM 1037 CA GLY C 68 72.887 -3.370 8.974 1.00 0.00 C ATOM 1038 C GLY C 68 73.850 -3.181 7.801 1.00 0.00 C ATOM 1039 O GLY C 68 74.863 -2.521 7.918 1.00 0.00 O ATOM 0 H GLY C 68 71.307 -4.620 8.266 1.00 0.00 H new ATOM 0 HA2 GLY C 68 72.176 -2.545 9.010 1.00 0.00 H new ATOM 0 HA3 GLY C 68 73.437 -3.359 9.915 1.00 0.00 H new ATOM 1043 N SER C 69 73.543 -3.752 6.669 1.00 0.00 N ATOM 1044 CA SER C 69 74.444 -3.600 5.491 1.00 0.00 C ATOM 1045 C SER C 69 74.398 -2.160 4.971 1.00 0.00 C ATOM 1046 O SER C 69 75.126 -1.791 4.070 1.00 0.00 O ATOM 1047 CB SER C 69 73.893 -4.566 4.443 1.00 0.00 C ATOM 1048 OG SER C 69 72.616 -4.116 4.015 1.00 0.00 O ATOM 0 H SER C 69 72.709 -4.316 6.508 1.00 0.00 H new ATOM 0 HA SER C 69 75.484 -3.815 5.737 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.574 -4.626 3.594 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.816 -5.570 4.861 1.00 0.00 H new ATOM 0 HG SER C 69 72.695 -3.702 3.130 1.00 0.00 H new ATOM 1054 N GLY C 70 73.547 -1.343 5.531 1.00 0.00 N ATOM 1055 CA GLY C 70 73.456 0.072 5.069 1.00 0.00 C ATOM 1056 C GLY C 70 72.614 0.140 3.792 1.00 0.00 C ATOM 1057 O GLY C 70 72.518 1.171 3.156 1.00 0.00 O ATOM 0 H GLY C 70 72.911 -1.594 6.288 1.00 0.00 H new ATOM 0 HA2 GLY C 70 73.008 0.691 5.846 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.454 0.469 4.881 1.00 0.00 H new ATOM 1061 N THR C 71 72.006 -0.950 3.413 1.00 0.00 N ATOM 1062 CA THR C 71 71.171 -0.947 2.177 1.00 0.00 C ATOM 1063 C THR C 71 69.921 -1.808 2.381 1.00 0.00 C ATOM 1064 O THR C 71 69.745 -2.430 3.410 1.00 0.00 O ATOM 1065 CB THR C 71 72.066 -1.551 1.094 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.453 -2.862 1.480 1.00 0.00 O ATOM 1067 CG2 THR C 71 73.312 -0.681 0.915 1.00 0.00 C ATOM 0 H THR C 71 72.051 -1.843 3.905 1.00 0.00 H new ATOM 0 HA THR C 71 70.828 0.053 1.912 1.00 0.00 H new ATOM 0 HB THR C 71 71.519 -1.595 0.152 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.025 -3.252 0.787 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.949 -1.112 0.143 1.00 0.00 H new ATOM 0 HG22 THR C 71 73.014 0.325 0.619 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.862 -0.635 1.855 1.00 0.00 H new ATOM 1075 N VAL C 72 69.054 -1.848 1.408 1.00 0.00 N ATOM 1076 CA VAL C 72 67.817 -2.670 1.547 1.00 0.00 C ATOM 1077 C VAL C 72 67.634 -3.562 0.315 1.00 0.00 C ATOM 1078 O VAL C 72 68.267 -3.367 -0.703 1.00 0.00 O ATOM 1079 CB VAL C 72 66.677 -1.657 1.653 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.340 -2.397 1.686 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.840 -0.845 2.940 1.00 0.00 C ATOM 0 H VAL C 72 69.147 -1.348 0.524 1.00 0.00 H new ATOM 0 HA VAL C 72 67.855 -3.331 2.413 1.00 0.00 H new ATOM 0 HB VAL C 72 66.701 -0.988 0.792 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.527 -1.675 1.762 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.224 -2.980 0.772 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.315 -3.064 2.548 1.00 0.00 H new ATOM 0 HG21 VAL C 72 66.029 -0.121 3.019 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.813 -1.515 3.799 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.794 -0.319 2.920 1.00 0.00 H new ATOM 1091 N ASP C 73 66.773 -4.541 0.400 1.00 0.00 N ATOM 1092 CA ASP C 73 66.554 -5.443 -0.766 1.00 0.00 C ATOM 1093 C ASP C 73 65.092 -5.890 -0.826 1.00 0.00 C ATOM 1094 O ASP C 73 64.293 -5.556 0.026 1.00 0.00 O ATOM 1095 CB ASP C 73 67.471 -6.641 -0.518 1.00 0.00 C ATOM 1096 CG ASP C 73 68.433 -6.800 -1.697 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.201 -6.168 -2.715 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.385 -7.550 -1.562 1.00 0.00 O ATOM 0 H ASP C 73 66.213 -4.754 1.225 1.00 0.00 H new ATOM 0 HA ASP C 73 66.773 -4.951 -1.714 1.00 0.00 H new ATOM 0 HB2 ASP C 73 68.032 -6.498 0.406 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.878 -7.547 -0.394 1.00 0.00 H new ATOM 1103 N PHE C 74 64.736 -6.649 -1.828 1.00 0.00 N ATOM 1104 CA PHE C 74 63.328 -7.121 -1.944 1.00 0.00 C ATOM 1105 C PHE C 74 62.913 -7.859 -0.668 1.00 0.00 C ATOM 1106 O PHE C 74 61.743 -8.060 -0.407 1.00 0.00 O ATOM 1107 CB PHE C 74 63.328 -8.073 -3.140 1.00 0.00 C ATOM 1108 CG PHE C 74 61.918 -8.538 -3.419 1.00 0.00 C ATOM 1109 CD1 PHE C 74 60.861 -7.620 -3.399 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.667 -9.888 -3.697 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.553 -8.051 -3.658 1.00 0.00 C ATOM 1112 CE2 PHE C 74 60.361 -10.318 -3.956 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.303 -9.400 -3.937 1.00 0.00 C ATOM 0 H PHE C 74 65.361 -6.962 -2.571 1.00 0.00 H new ATOM 0 HA PHE C 74 62.625 -6.299 -2.078 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.736 -7.571 -4.017 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.970 -8.930 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.054 -6.579 -3.184 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.482 -10.597 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE C 74 58.738 -7.343 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE C 74 60.168 -11.359 -4.171 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.295 -9.733 -4.137 1.00 0.00 H new ATOM 1123 N ASP C 75 63.865 -8.264 0.129 1.00 0.00 N ATOM 1124 CA ASP C 75 63.525 -8.987 1.388 1.00 0.00 C ATOM 1125 C ASP C 75 63.236 -7.988 2.511 1.00 0.00 C ATOM 1126 O ASP C 75 62.210 -8.046 3.158 1.00 0.00 O ATOM 1127 CB ASP C 75 64.765 -9.819 1.717 1.00 0.00 C ATOM 1128 CG ASP C 75 64.453 -10.764 2.880 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.189 -10.271 3.964 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.482 -11.965 2.666 1.00 0.00 O ATOM 0 H ASP C 75 64.862 -8.126 -0.037 1.00 0.00 H new ATOM 0 HA ASP C 75 62.636 -9.608 1.279 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.074 -10.391 0.842 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.596 -9.164 1.980 1.00 0.00 H new ATOM 1135 N GLU C 76 64.133 -7.069 2.745 1.00 0.00 N ATOM 1136 CA GLU C 76 63.907 -6.066 3.825 1.00 0.00 C ATOM 1137 C GLU C 76 62.898 -5.013 3.362 1.00 0.00 C ATOM 1138 O GLU C 76 62.184 -4.432 4.155 1.00 0.00 O ATOM 1139 CB GLU C 76 65.275 -5.428 4.067 1.00 0.00 C ATOM 1140 CG GLU C 76 66.284 -6.512 4.452 1.00 0.00 C ATOM 1141 CD GLU C 76 67.704 -5.966 4.298 1.00 0.00 C ATOM 1142 OE1 GLU C 76 68.112 -5.740 3.170 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.361 -5.782 5.311 1.00 0.00 O ATOM 0 H GLU C 76 65.011 -6.969 2.236 1.00 0.00 H new ATOM 0 HA GLU C 76 63.503 -6.518 4.731 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.609 -4.908 3.169 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.205 -4.683 4.860 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.116 -6.832 5.480 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.150 -7.390 3.819 1.00 0.00 H new ATOM 1150 N PHE C 77 62.834 -4.763 2.083 1.00 0.00 N ATOM 1151 CA PHE C 77 61.871 -3.747 1.566 1.00 0.00 C ATOM 1152 C PHE C 77 60.433 -4.224 1.790 1.00 0.00 C ATOM 1153 O PHE C 77 59.560 -3.452 2.135 1.00 0.00 O ATOM 1154 CB PHE C 77 62.174 -3.638 0.071 1.00 0.00 C ATOM 1155 CG PHE C 77 61.093 -2.828 -0.603 1.00 0.00 C ATOM 1156 CD1 PHE C 77 61.105 -1.431 -0.513 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.077 -3.475 -1.318 1.00 0.00 C ATOM 1158 CE1 PHE C 77 60.101 -0.681 -1.138 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.074 -2.725 -1.943 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.086 -1.328 -1.853 1.00 0.00 C ATOM 0 H PHE C 77 63.407 -5.218 1.372 1.00 0.00 H new ATOM 0 HA PHE C 77 61.971 -2.787 2.072 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.145 -3.166 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE C 77 62.229 -4.632 -0.373 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.888 -0.932 0.038 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.068 -4.553 -1.387 1.00 0.00 H new ATOM 0 HE1 PHE C 77 60.110 0.397 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.291 -3.224 -2.495 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.312 -0.749 -2.335 1.00 0.00 H new ATOM 1170 N LEU C 78 60.179 -5.490 1.601 1.00 0.00 N ATOM 1171 CA LEU C 78 58.798 -6.012 1.807 1.00 0.00 C ATOM 1172 C LEU C 78 58.354 -5.769 3.250 1.00 0.00 C ATOM 1173 O LEU C 78 57.182 -5.826 3.567 1.00 0.00 O ATOM 1174 CB LEU C 78 58.892 -7.511 1.521 1.00 0.00 C ATOM 1175 CG LEU C 78 58.672 -7.760 0.029 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.166 -9.162 -0.334 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.180 -7.649 -0.289 1.00 0.00 C ATOM 0 H LEU C 78 60.868 -6.185 1.313 1.00 0.00 H new ATOM 0 HA LEU C 78 58.070 -5.520 1.162 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.868 -7.889 1.824 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.146 -8.051 2.105 1.00 0.00 H new ATOM 0 HG LEU C 78 59.225 -7.019 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU C 78 59.009 -9.339 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.229 -9.244 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.613 -9.903 0.243 1.00 0.00 H new ATOM 0 HD21 LEU C 78 57.021 -7.826 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.629 -8.391 0.289 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.826 -6.651 -0.030 1.00 0.00 H new ATOM 1189 N VAL C 79 59.281 -5.497 4.127 1.00 0.00 N ATOM 1190 CA VAL C 79 58.911 -5.250 5.549 1.00 0.00 C ATOM 1191 C VAL C 79 58.392 -3.820 5.718 1.00 0.00 C ATOM 1192 O VAL C 79 57.397 -3.583 6.374 1.00 0.00 O ATOM 1193 CB VAL C 79 60.207 -5.446 6.335 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.035 -4.897 7.751 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.538 -6.939 6.403 1.00 0.00 C ATOM 0 H VAL C 79 60.278 -5.435 3.920 1.00 0.00 H new ATOM 0 HA VAL C 79 58.121 -5.918 5.893 1.00 0.00 H new ATOM 0 HB VAL C 79 61.018 -4.914 5.837 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.960 -5.037 8.310 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.798 -3.834 7.703 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.224 -5.427 8.251 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.462 -7.082 6.963 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.726 -7.469 6.901 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.662 -7.331 5.393 1.00 0.00 H new ATOM 1205 N MET C 80 59.058 -2.865 5.128 1.00 0.00 N ATOM 1206 CA MET C 80 58.601 -1.451 5.252 1.00 0.00 C ATOM 1207 C MET C 80 57.127 -1.338 4.856 1.00 0.00 C ATOM 1208 O MET C 80 56.429 -0.435 5.273 1.00 0.00 O ATOM 1209 CB MET C 80 59.479 -0.665 4.279 1.00 0.00 C ATOM 1210 CG MET C 80 60.246 0.417 5.042 1.00 0.00 C ATOM 1211 SD MET C 80 60.190 1.969 4.109 1.00 0.00 S ATOM 1212 CE MET C 80 61.099 1.393 2.656 1.00 0.00 C ATOM 0 H MET C 80 59.898 -3.002 4.566 1.00 0.00 H new ATOM 0 HA MET C 80 58.687 -1.076 6.272 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.177 -1.336 3.779 1.00 0.00 H new ATOM 0 HB3 MET C 80 58.863 -0.210 3.503 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.809 0.559 6.031 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.280 0.107 5.192 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.800 2.164 2.337 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.647 0.485 2.906 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.398 1.183 1.848 1.00 0.00 H new ATOM 1222 N MET C 81 56.648 -2.247 4.052 1.00 0.00 N ATOM 1223 CA MET C 81 55.222 -2.193 3.626 1.00 0.00 C ATOM 1224 C MET C 81 54.314 -2.759 4.723 1.00 0.00 C ATOM 1225 O MET C 81 53.215 -2.287 4.936 1.00 0.00 O ATOM 1226 CB MET C 81 55.155 -3.065 2.373 1.00 0.00 C ATOM 1227 CG MET C 81 55.075 -2.171 1.134 1.00 0.00 C ATOM 1228 SD MET C 81 56.594 -1.197 0.992 1.00 0.00 S ATOM 1229 CE MET C 81 55.984 -0.005 -0.225 1.00 0.00 C ATOM 0 H MET C 81 57.184 -3.026 3.671 1.00 0.00 H new ATOM 0 HA MET C 81 54.887 -1.173 3.436 1.00 0.00 H new ATOM 0 HB2 MET C 81 56.034 -3.706 2.316 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.285 -3.720 2.419 1.00 0.00 H new ATOM 0 HG2 MET C 81 54.937 -2.781 0.241 1.00 0.00 H new ATOM 0 HG3 MET C 81 54.212 -1.509 1.205 1.00 0.00 H new ATOM 0 HE1 MET C 81 56.774 0.707 -0.464 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.683 -0.531 -1.131 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.127 0.528 0.186 1.00 0.00 H new ATOM 1239 N VAL C 82 54.761 -3.769 5.418 1.00 0.00 N ATOM 1240 CA VAL C 82 53.919 -4.365 6.497 1.00 0.00 C ATOM 1241 C VAL C 82 53.744 -3.369 7.645 1.00 0.00 C ATOM 1242 O VAL C 82 52.734 -3.356 8.320 1.00 0.00 O ATOM 1243 CB VAL C 82 54.690 -5.597 6.971 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.760 -6.494 7.791 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.209 -6.375 5.760 1.00 0.00 C ATOM 0 H VAL C 82 55.672 -4.208 5.286 1.00 0.00 H new ATOM 0 HA VAL C 82 52.920 -4.621 6.143 1.00 0.00 H new ATOM 0 HB VAL C 82 55.532 -5.282 7.587 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.308 -7.373 8.130 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.390 -5.942 8.655 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.918 -6.807 7.173 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.758 -7.253 6.100 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.368 -6.690 5.142 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.871 -5.737 5.174 1.00 0.00 H new ATOM 1255 N ARG C 83 54.721 -2.537 7.876 1.00 0.00 N ATOM 1256 CA ARG C 83 54.613 -1.547 8.984 1.00 0.00 C ATOM 1257 C ARG C 83 53.417 -0.618 8.756 1.00 0.00 C ATOM 1258 O ARG C 83 52.936 0.026 9.667 1.00 0.00 O ATOM 1259 CB ARG C 83 55.921 -0.756 8.935 1.00 0.00 C ATOM 1260 CG ARG C 83 56.950 -1.411 9.858 1.00 0.00 C ATOM 1261 CD ARG C 83 58.228 -0.569 9.875 1.00 0.00 C ATOM 1262 NE ARG C 83 58.093 0.309 11.070 1.00 0.00 N ATOM 1263 CZ ARG C 83 57.040 1.068 11.206 1.00 0.00 C ATOM 1264 NH1 ARG C 83 56.996 2.234 10.623 1.00 0.00 N ATOM 1265 NH2 ARG C 83 56.032 0.661 11.927 1.00 0.00 N ATOM 0 H ARG C 83 55.591 -2.500 7.345 1.00 0.00 H new ATOM 0 HA ARG C 83 54.460 -2.027 9.950 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.301 -0.725 7.914 1.00 0.00 H new ATOM 0 HB3 ARG C 83 55.746 0.275 9.242 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.546 -1.499 10.867 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.172 -2.421 9.514 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.115 -1.199 9.946 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.326 0.019 8.962 1.00 0.00 H new ATOM 0 HE ARG C 83 58.823 0.317 11.782 1.00 0.00 H new ATOM 0 HH11 ARG C 83 57.785 2.553 10.060 1.00 0.00 H new ATOM 0 HH12 ARG C 83 56.173 2.827 10.730 1.00 0.00 H new ATOM 0 HH21 ARG C 83 56.067 -0.250 12.384 1.00 0.00 H new ATOM 0 HH22 ARG C 83 55.209 1.254 12.034 1.00 0.00 H new ATOM 1279 N CYS C 84 52.933 -0.540 7.545 1.00 0.00 N ATOM 1280 CA CYS C 84 51.772 0.352 7.264 1.00 0.00 C ATOM 1281 C CYS C 84 50.617 -0.451 6.660 1.00 0.00 C ATOM 1282 O CYS C 84 50.000 -0.041 5.696 1.00 0.00 O ATOM 1283 CB CYS C 84 52.296 1.377 6.256 1.00 0.00 C ATOM 1284 SG CYS C 84 52.587 0.564 4.666 1.00 0.00 S ATOM 0 H CYS C 84 53.291 -1.054 6.740 1.00 0.00 H new ATOM 0 HA CYS C 84 51.389 0.825 8.168 1.00 0.00 H new ATOM 0 HB2 CYS C 84 51.576 2.186 6.136 1.00 0.00 H new ATOM 0 HB3 CYS C 84 53.220 1.824 6.623 1.00 0.00 H new ATOM 0 HG CYS C 84 52.692 -0.719 4.847 1.00 0.00 H new ATOM 1290 N MET C 85 50.317 -1.592 7.219 1.00 0.00 N ATOM 1291 CA MET C 85 49.199 -2.416 6.675 1.00 0.00 C ATOM 1292 C MET C 85 47.910 -2.131 7.449 1.00 0.00 C ATOM 1293 O MET C 85 46.838 -2.558 7.068 1.00 0.00 O ATOM 1294 CB MET C 85 49.637 -3.867 6.880 1.00 0.00 C ATOM 1295 CG MET C 85 49.716 -4.573 5.525 1.00 0.00 C ATOM 1296 SD MET C 85 48.138 -4.391 4.657 1.00 0.00 S ATOM 1297 CE MET C 85 48.820 -4.089 3.008 1.00 0.00 C ATOM 0 H MET C 85 50.796 -1.989 8.027 1.00 0.00 H new ATOM 0 HA MET C 85 48.997 -2.197 5.627 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.607 -3.898 7.375 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.930 -4.383 7.530 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.523 -4.148 4.928 1.00 0.00 H new ATOM 0 HG3 MET C 85 49.946 -5.629 5.666 1.00 0.00 H new ATOM 0 HE1 MET C 85 48.005 -3.946 2.298 1.00 0.00 H new ATOM 0 HE2 MET C 85 49.443 -3.195 3.030 1.00 0.00 H new ATOM 0 HE3 MET C 85 49.423 -4.944 2.701 1.00 0.00 H new ATOM 1411 N SER I 3 53.111 6.178 3.307 1.00 0.00 N ATOM 1412 CA SER I 3 51.707 5.732 3.073 1.00 0.00 C ATOM 1413 C SER I 3 51.687 4.494 2.172 1.00 0.00 C ATOM 1414 O SER I 3 52.647 3.753 2.098 1.00 0.00 O ATOM 1415 CB SER I 3 51.028 6.911 2.377 1.00 0.00 C ATOM 1416 OG SER I 3 49.656 6.948 2.748 1.00 0.00 O ATOM 0 HA SER I 3 51.202 5.458 3.999 1.00 0.00 H new ATOM 0 HB2 SER I 3 51.517 7.844 2.656 1.00 0.00 H new ATOM 0 HB3 SER I 3 51.122 6.813 1.295 1.00 0.00 H new ATOM 0 HG SER I 3 49.218 7.704 2.305 1.00 0.00 H new ATOM 1422 N ALA I 4 50.601 4.265 1.485 1.00 0.00 N ATOM 1423 CA ALA I 4 50.521 3.075 0.590 1.00 0.00 C ATOM 1424 C ALA I 4 49.808 3.438 -0.715 1.00 0.00 C ATOM 1425 O ALA I 4 50.311 3.203 -1.797 1.00 0.00 O ATOM 1426 CB ALA I 4 49.710 2.043 1.373 1.00 0.00 C ATOM 0 H ALA I 4 49.766 4.850 1.505 1.00 0.00 H new ATOM 0 HA ALA I 4 51.507 2.699 0.318 1.00 0.00 H new ATOM 0 HB1 ALA I 4 49.607 1.135 0.779 1.00 0.00 H new ATOM 0 HB2 ALA I 4 50.222 1.810 2.306 1.00 0.00 H new ATOM 0 HB3 ALA I 4 48.722 2.447 1.593 1.00 0.00 H new ATOM 1432 N ASP I 5 48.637 4.009 -0.623 1.00 0.00 N ATOM 1433 CA ASP I 5 47.890 4.386 -1.857 1.00 0.00 C ATOM 1434 C ASP I 5 48.540 5.604 -2.520 1.00 0.00 C ATOM 1435 O ASP I 5 48.563 5.725 -3.729 1.00 0.00 O ATOM 1436 CB ASP I 5 46.480 4.726 -1.374 1.00 0.00 C ATOM 1437 CG ASP I 5 45.481 4.487 -2.508 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.801 3.721 -3.402 1.00 0.00 O ATOM 1439 OD2 ASP I 5 44.413 5.075 -2.462 1.00 0.00 O ATOM 0 H ASP I 5 48.165 4.231 0.254 1.00 0.00 H new ATOM 0 HA ASP I 5 47.887 3.588 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP I 5 46.221 4.112 -0.512 1.00 0.00 H new ATOM 0 HB3 ASP I 5 46.436 5.766 -1.049 1.00 0.00 H new ATOM 1444 N ALA I 6 49.068 6.505 -1.740 1.00 0.00 N ATOM 1445 CA ALA I 6 49.716 7.712 -2.330 1.00 0.00 C ATOM 1446 C ALA I 6 51.037 7.326 -2.999 1.00 0.00 C ATOM 1447 O ALA I 6 51.390 7.839 -4.042 1.00 0.00 O ATOM 1448 CB ALA I 6 49.970 8.645 -1.147 1.00 0.00 C ATOM 0 H ALA I 6 49.080 6.459 -0.721 1.00 0.00 H new ATOM 0 HA ALA I 6 49.096 8.182 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA I 6 50.447 9.559 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA I 6 49.022 8.892 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA I 6 50.622 8.151 -0.427 1.00 0.00 H new ATOM 1454 N MET I 7 51.770 6.423 -2.407 1.00 0.00 N ATOM 1455 CA MET I 7 53.070 6.004 -3.007 1.00 0.00 C ATOM 1456 C MET I 7 52.890 5.695 -4.495 1.00 0.00 C ATOM 1457 O MET I 7 53.663 6.129 -5.327 1.00 0.00 O ATOM 1458 CB MET I 7 53.472 4.742 -2.243 1.00 0.00 C ATOM 1459 CG MET I 7 54.988 4.740 -2.026 1.00 0.00 C ATOM 1460 SD MET I 7 55.723 3.341 -2.908 1.00 0.00 S ATOM 1461 CE MET I 7 56.640 4.304 -4.136 1.00 0.00 C ATOM 0 H MET I 7 51.525 5.957 -1.533 1.00 0.00 H new ATOM 0 HA MET I 7 53.828 6.784 -2.933 1.00 0.00 H new ATOM 0 HB2 MET I 7 52.956 4.705 -1.284 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.172 3.855 -2.801 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.418 5.675 -2.384 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.214 4.672 -0.962 1.00 0.00 H new ATOM 0 HE1 MET I 7 56.849 3.680 -5.005 1.00 0.00 H new ATOM 0 HE2 MET I 7 56.045 5.165 -4.442 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.579 4.648 -3.702 1.00 0.00 H new ATOM 1471 N MET I 8 51.877 4.946 -4.837 1.00 0.00 N ATOM 1472 CA MET I 8 51.651 4.606 -6.271 1.00 0.00 C ATOM 1473 C MET I 8 51.017 5.791 -7.008 1.00 0.00 C ATOM 1474 O MET I 8 51.133 5.918 -8.210 1.00 0.00 O ATOM 1475 CB MET I 8 50.693 3.414 -6.249 1.00 0.00 C ATOM 1476 CG MET I 8 51.494 2.115 -6.345 1.00 0.00 C ATOM 1477 SD MET I 8 51.718 1.419 -4.689 1.00 0.00 S ATOM 1478 CE MET I 8 53.359 2.114 -4.373 1.00 0.00 C ATOM 0 H MET I 8 51.196 4.555 -4.186 1.00 0.00 H new ATOM 0 HA MET I 8 52.581 4.374 -6.790 1.00 0.00 H new ATOM 0 HB2 MET I 8 50.104 3.424 -5.332 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.990 3.483 -7.080 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.974 1.401 -6.984 1.00 0.00 H new ATOM 0 HG3 MET I 8 52.464 2.306 -6.805 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.496 2.251 -3.300 1.00 0.00 H new ATOM 0 HE2 MET I 8 54.121 1.433 -4.752 1.00 0.00 H new ATOM 0 HE3 MET I 8 53.450 3.077 -4.876 1.00 0.00 H new ATOM 1488 N GLN I 9 50.344 6.656 -6.298 1.00 0.00 N ATOM 1489 CA GLN I 9 49.700 7.825 -6.964 1.00 0.00 C ATOM 1490 C GLN I 9 50.741 8.902 -7.288 1.00 0.00 C ATOM 1491 O GLN I 9 50.596 9.654 -8.230 1.00 0.00 O ATOM 1492 CB GLN I 9 48.686 8.353 -5.948 1.00 0.00 C ATOM 1493 CG GLN I 9 47.559 9.080 -6.682 1.00 0.00 C ATOM 1494 CD GLN I 9 46.280 9.017 -5.846 1.00 0.00 C ATOM 1495 OE1 GLN I 9 46.329 9.089 -4.634 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.128 8.886 -6.445 1.00 0.00 N ATOM 0 H GLN I 9 50.212 6.604 -5.288 1.00 0.00 H new ATOM 0 HA GLN I 9 49.230 7.548 -7.908 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.280 7.529 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN I 9 49.175 9.031 -5.249 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.838 10.118 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.391 8.622 -7.657 1.00 0.00 H new ATOM 0 HE21 GLN I 9 45.086 8.826 -7.462 1.00 0.00 H new ATOM 0 HE22 GLN I 9 44.269 8.844 -5.896 1.00 0.00 H new ATOM 1505 N ALA I 10 51.788 8.986 -6.512 1.00 0.00 N ATOM 1506 CA ALA I 10 52.829 10.020 -6.781 1.00 0.00 C ATOM 1507 C ALA I 10 53.701 9.607 -7.968 1.00 0.00 C ATOM 1508 O ALA I 10 53.843 10.337 -8.929 1.00 0.00 O ATOM 1509 CB ALA I 10 53.664 10.084 -5.502 1.00 0.00 C ATOM 0 H ALA I 10 51.967 8.386 -5.707 1.00 0.00 H new ATOM 0 HA ALA I 10 52.391 10.985 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.454 10.825 -5.620 1.00 0.00 H new ATOM 0 HB2 ALA I 10 53.026 10.365 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA I 10 54.108 9.108 -5.308 1.00 0.00 H new ATOM 1515 N LEU I 11 54.290 8.443 -7.911 1.00 0.00 N ATOM 1516 CA LEU I 11 55.153 7.993 -9.040 1.00 0.00 C ATOM 1517 C LEU I 11 54.808 6.553 -9.432 1.00 0.00 C ATOM 1518 O LEU I 11 53.667 6.141 -9.373 1.00 0.00 O ATOM 1519 CB LEU I 11 56.585 8.084 -8.505 1.00 0.00 C ATOM 1520 CG LEU I 11 56.769 7.102 -7.346 1.00 0.00 C ATOM 1521 CD1 LEU I 11 58.219 6.620 -7.318 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.445 7.801 -6.023 1.00 0.00 C ATOM 0 H LEU I 11 54.211 7.787 -7.134 1.00 0.00 H new ATOM 0 HA LEU I 11 55.015 8.601 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU I 11 57.295 7.859 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.794 9.100 -8.170 1.00 0.00 H new ATOM 0 HG LEU I 11 56.100 6.253 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU I 11 58.354 5.920 -6.493 1.00 0.00 H new ATOM 0 HD12 LEU I 11 58.455 6.122 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.883 7.473 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.577 7.100 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.114 8.651 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.413 8.151 -6.040 1.00 0.00 H new ATOM 1534 N LEU I 12 55.785 5.789 -9.838 1.00 0.00 N ATOM 1535 CA LEU I 12 55.513 4.377 -10.239 1.00 0.00 C ATOM 1536 C LEU I 12 54.540 4.336 -11.421 1.00 0.00 C ATOM 1537 O LEU I 12 53.792 3.395 -11.588 1.00 0.00 O ATOM 1538 CB LEU I 12 54.884 3.726 -9.006 1.00 0.00 C ATOM 1539 CG LEU I 12 55.950 2.942 -8.241 1.00 0.00 C ATOM 1540 CD1 LEU I 12 57.069 3.891 -7.812 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.318 2.309 -6.999 1.00 0.00 C ATOM 0 H LEU I 12 56.760 6.080 -9.910 1.00 0.00 H new ATOM 0 HA LEU I 12 56.419 3.860 -10.556 1.00 0.00 H new ATOM 0 HB2 LEU I 12 54.447 4.489 -8.362 1.00 0.00 H new ATOM 0 HB3 LEU I 12 54.074 3.061 -9.306 1.00 0.00 H new ATOM 0 HG LEU I 12 56.360 2.162 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU I 12 57.830 3.333 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU I 12 57.517 4.348 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU I 12 56.659 4.670 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.075 1.749 -6.451 1.00 0.00 H new ATOM 0 HD22 LEU I 12 54.911 3.092 -6.359 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.517 1.635 -7.302 1.00 0.00 H new