USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 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: A 44 THR OG1 : rot 45:sc= 1.27! USER MOD Set 1.2: A 47 SER OG : rot -124:sc= 0.621! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0942 USER MOD Single : A 3 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.29) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 120:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.665 USER MOD Single : A 9 ASN :FLIP amide:sc= 0.334 F(o=-1.1,f=0.33) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= -0.116 (180deg=-0.641) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 165:sc= -4.42! USER MOD Single : A 41 ASN : amide:sc= -6.59! C(o=-6.6!,f=-16!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.968 K(o=-0.97,f=-4.1!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0703 X(o=-0.07,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0468 K(o=-0.047,f=-1.6!) USER MOD Single : A 89 SER OG : rot -89:sc= 0.905 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.287 F(o=-1.4,f=-0.29) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.731 10.397 -15.392 1.00 0.00 N ATOM 2 CA MET A 1 -6.788 10.672 -16.514 1.00 0.00 C ATOM 3 C MET A 1 -6.658 9.434 -17.414 1.00 0.00 C ATOM 4 O MET A 1 -6.902 9.504 -18.605 1.00 0.00 O ATOM 5 CB MET A 1 -5.452 10.987 -15.840 1.00 0.00 C ATOM 6 CG MET A 1 -4.638 11.926 -16.732 1.00 0.00 C ATOM 7 SD MET A 1 -3.440 12.832 -15.721 1.00 0.00 S ATOM 8 CE MET A 1 -2.224 13.135 -17.026 1.00 0.00 C ATOM 0 H1 MET A 1 -7.811 11.242 -14.790 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.667 10.156 -15.776 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.374 9.601 -14.826 1.00 0.00 H new ATOM 0 HA MET A 1 -7.128 11.491 -17.148 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.623 11.450 -14.868 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.897 10.066 -15.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.121 11.355 -17.503 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.301 12.625 -17.243 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.382 13.692 -16.616 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.871 12.183 -17.422 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.686 13.712 -17.827 1.00 0.00 H new ATOM 20 N SER A 2 -6.278 8.299 -16.860 1.00 0.00 N ATOM 21 CA SER A 2 -6.138 7.069 -17.695 1.00 0.00 C ATOM 22 C SER A 2 -6.638 5.841 -16.919 1.00 0.00 C ATOM 23 O SER A 2 -7.591 5.200 -17.320 1.00 0.00 O ATOM 24 CB SER A 2 -4.641 6.951 -17.977 1.00 0.00 C ATOM 25 OG SER A 2 -3.932 6.914 -16.745 1.00 0.00 O ATOM 0 H SER A 2 -6.061 8.179 -15.871 1.00 0.00 H new ATOM 0 HA SER A 2 -6.723 7.124 -18.613 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.438 6.049 -18.554 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.305 7.796 -18.578 1.00 0.00 H new ATOM 0 HG SER A 2 -2.971 6.837 -16.923 1.00 0.00 H new ATOM 31 N GLN A 3 -6.006 5.505 -15.812 1.00 0.00 N ATOM 32 CA GLN A 3 -6.457 4.318 -15.024 1.00 0.00 C ATOM 33 C GLN A 3 -6.724 4.718 -13.564 1.00 0.00 C ATOM 34 O GLN A 3 -6.389 3.987 -12.650 1.00 0.00 O ATOM 35 CB GLN A 3 -5.295 3.325 -15.105 1.00 0.00 C ATOM 36 CG GLN A 3 -5.069 2.914 -16.563 1.00 0.00 C ATOM 37 CD GLN A 3 -6.305 2.175 -17.093 1.00 0.00 C ATOM 38 OE1 GLN A 3 -6.877 2.570 -18.088 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.747 1.109 -16.469 1.00 0.00 N ATOM 0 H GLN A 3 -5.203 6.002 -15.427 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.384 3.894 -15.410 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.389 3.776 -14.700 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.512 2.446 -14.499 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.872 3.796 -17.173 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.191 2.273 -16.638 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.270 0.773 -15.632 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.568 0.616 -16.820 1.00 0.00 H new ATOM 48 N GLU A 4 -7.322 5.871 -13.332 1.00 0.00 N ATOM 49 CA GLU A 4 -7.598 6.295 -11.909 1.00 0.00 C ATOM 50 C GLU A 4 -8.467 5.245 -11.195 1.00 0.00 C ATOM 51 O GLU A 4 -8.286 4.991 -10.019 1.00 0.00 O ATOM 52 CB GLU A 4 -8.324 7.657 -11.974 1.00 0.00 C ATOM 53 CG GLU A 4 -9.692 7.507 -12.657 1.00 0.00 C ATOM 54 CD GLU A 4 -10.412 8.857 -12.655 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.979 9.738 -13.379 1.00 0.00 O ATOM 56 OE2 GLU A 4 -11.384 8.986 -11.929 1.00 0.00 O ATOM 0 H GLU A 4 -7.627 6.527 -14.051 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.671 6.384 -11.343 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.455 8.054 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.714 8.375 -12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.563 7.153 -13.680 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.292 6.762 -12.135 1.00 0.00 H new ATOM 63 N GLN A 5 -9.406 4.625 -11.889 1.00 0.00 N ATOM 64 CA GLN A 5 -10.268 3.585 -11.211 1.00 0.00 C ATOM 65 C GLN A 5 -9.376 2.497 -10.583 1.00 0.00 C ATOM 66 O GLN A 5 -9.643 2.029 -9.492 1.00 0.00 O ATOM 67 CB GLN A 5 -11.205 2.989 -12.285 1.00 0.00 C ATOM 68 CG GLN A 5 -10.397 2.247 -13.356 1.00 0.00 C ATOM 69 CD GLN A 5 -11.294 1.963 -14.568 1.00 0.00 C ATOM 70 OE1 GLN A 5 -10.971 2.346 -15.674 1.00 0.00 O ATOM 71 NE2 GLN A 5 -12.416 1.302 -14.410 1.00 0.00 N ATOM 0 H GLN A 5 -9.611 4.789 -12.875 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.860 4.025 -10.408 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.914 2.305 -11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.788 3.785 -12.748 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.538 2.846 -13.658 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.008 1.313 -12.951 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.691 0.978 -13.483 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.013 1.112 -15.215 1.00 0.00 H new ATOM 80 N TYR A 6 -8.296 2.125 -11.241 1.00 0.00 N ATOM 81 CA TYR A 6 -7.377 1.103 -10.635 1.00 0.00 C ATOM 82 C TYR A 6 -6.594 1.772 -9.494 1.00 0.00 C ATOM 83 O TYR A 6 -6.378 1.183 -8.453 1.00 0.00 O ATOM 84 CB TYR A 6 -6.415 0.650 -11.746 1.00 0.00 C ATOM 85 CG TYR A 6 -7.077 -0.410 -12.594 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.996 -0.042 -13.584 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.767 -1.760 -12.393 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.606 -1.025 -14.371 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.376 -2.743 -13.180 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.297 -2.375 -14.170 1.00 0.00 C ATOM 91 OH TYR A 6 -8.897 -3.344 -14.947 1.00 0.00 O ATOM 0 H TYR A 6 -8.016 2.479 -12.156 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.922 0.248 -10.235 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.134 1.501 -12.366 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.497 0.258 -11.308 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.234 1.000 -13.740 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.057 -2.043 -11.630 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.316 -0.742 -15.134 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.137 -3.785 -13.025 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.210 -3.843 -15.436 1.00 0.00 H new ATOM 101 N THR A 7 -6.178 3.010 -9.684 1.00 0.00 N ATOM 102 CA THR A 7 -5.420 3.724 -8.598 1.00 0.00 C ATOM 103 C THR A 7 -6.300 3.848 -7.344 1.00 0.00 C ATOM 104 O THR A 7 -5.830 3.665 -6.237 1.00 0.00 O ATOM 105 CB THR A 7 -5.078 5.120 -9.160 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.206 4.978 -10.271 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.403 5.990 -8.092 1.00 0.00 C ATOM 0 H THR A 7 -6.329 3.551 -10.536 1.00 0.00 H new ATOM 0 HA THR A 7 -4.517 3.184 -8.313 1.00 0.00 H new ATOM 0 HB THR A 7 -6.003 5.606 -9.469 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.988 5.863 -10.631 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.172 6.969 -8.513 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.075 6.110 -7.242 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.482 5.511 -7.761 1.00 0.00 H new ATOM 115 N GLU A 8 -7.570 4.160 -7.505 1.00 0.00 N ATOM 116 CA GLU A 8 -8.458 4.290 -6.295 1.00 0.00 C ATOM 117 C GLU A 8 -8.621 2.924 -5.622 1.00 0.00 C ATOM 118 O GLU A 8 -8.580 2.821 -4.409 1.00 0.00 O ATOM 119 CB GLU A 8 -9.817 4.814 -6.788 1.00 0.00 C ATOM 120 CG GLU A 8 -10.614 5.364 -5.603 1.00 0.00 C ATOM 121 CD GLU A 8 -11.449 6.561 -6.058 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.542 6.341 -6.555 1.00 0.00 O ATOM 123 OE2 GLU A 8 -10.983 7.677 -5.902 1.00 0.00 O ATOM 0 H GLU A 8 -8.024 4.328 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.029 4.973 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.668 5.595 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.373 4.012 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.263 4.588 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.936 5.663 -4.803 1.00 0.00 H new ATOM 130 N ASN A 9 -8.781 1.869 -6.392 1.00 0.00 N ATOM 131 CA ASN A 9 -8.918 0.510 -5.763 1.00 0.00 C ATOM 132 C ASN A 9 -7.544 0.051 -5.262 1.00 0.00 C ATOM 133 O ASN A 9 -7.430 -0.511 -4.188 1.00 0.00 O ATOM 134 CB ASN A 9 -9.444 -0.439 -6.850 1.00 0.00 C ATOM 135 CG ASN A 9 -10.904 -0.092 -7.168 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.872 -0.827 -6.677 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 -11.169 0.859 -7.875 1.00 0.00 N flip ATOM 0 H ASN A 9 -8.822 1.887 -7.411 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.603 0.524 -4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.834 -0.353 -7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.370 -1.473 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.419 1.434 -8.259 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.142 1.083 -8.085 1.00 0.00 H new ATOM 144 N LEU A 10 -6.495 0.306 -6.016 1.00 0.00 N ATOM 145 CA LEU A 10 -5.128 -0.105 -5.545 1.00 0.00 C ATOM 146 C LEU A 10 -4.754 0.698 -4.290 1.00 0.00 C ATOM 147 O LEU A 10 -4.125 0.176 -3.387 1.00 0.00 O ATOM 148 CB LEU A 10 -4.147 0.201 -6.690 1.00 0.00 C ATOM 149 CG LEU A 10 -2.732 -0.232 -6.291 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.697 -1.747 -6.076 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.753 0.142 -7.405 1.00 0.00 C ATOM 0 H LEU A 10 -6.524 0.773 -6.922 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.098 -1.164 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.456 -0.322 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.160 1.267 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.448 0.272 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.689 -2.051 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.394 -2.018 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.982 -2.252 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.746 -0.165 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.041 -0.362 -8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.773 1.221 -7.560 1.00 0.00 H new ATOM 163 N LYS A 11 -5.140 1.960 -4.213 1.00 0.00 N ATOM 164 CA LYS A 11 -4.795 2.767 -2.988 1.00 0.00 C ATOM 165 C LYS A 11 -5.380 2.107 -1.729 1.00 0.00 C ATOM 166 O LYS A 11 -4.771 2.144 -0.675 1.00 0.00 O ATOM 167 CB LYS A 11 -5.407 4.164 -3.186 1.00 0.00 C ATOM 168 CG LYS A 11 -4.711 5.164 -2.260 1.00 0.00 C ATOM 169 CD LYS A 11 -5.707 6.240 -1.825 1.00 0.00 C ATOM 170 CE LYS A 11 -6.315 5.861 -0.472 1.00 0.00 C ATOM 171 NZ LYS A 11 -7.624 5.229 -0.800 1.00 0.00 N ATOM 0 H LYS A 11 -5.668 2.456 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.715 2.828 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.297 4.477 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.476 4.138 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.312 4.649 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.866 5.623 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.206 7.205 -1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.494 6.345 -2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.669 5.171 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.448 6.739 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.246 5.266 0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.070 5.742 -1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.472 4.238 -1.075 1.00 0.00 H new ATOM 185 N VAL A 12 -6.545 1.496 -1.822 1.00 0.00 N ATOM 186 CA VAL A 12 -7.131 0.835 -0.602 1.00 0.00 C ATOM 187 C VAL A 12 -6.289 -0.393 -0.235 1.00 0.00 C ATOM 188 O VAL A 12 -5.904 -0.565 0.907 1.00 0.00 O ATOM 189 CB VAL A 12 -8.564 0.414 -0.971 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.220 -0.288 0.221 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.380 1.654 -1.340 1.00 0.00 C ATOM 0 H VAL A 12 -7.106 1.427 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.138 1.508 0.256 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.531 -0.269 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.235 -0.584 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.641 -1.173 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.252 0.393 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.396 1.357 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.409 2.336 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.918 2.154 -2.191 1.00 0.00 H new ATOM 201 N ILE A 13 -5.993 -1.241 -1.193 1.00 0.00 N ATOM 202 CA ILE A 13 -5.159 -2.455 -0.877 1.00 0.00 C ATOM 203 C ILE A 13 -3.760 -2.016 -0.414 1.00 0.00 C ATOM 204 O ILE A 13 -3.190 -2.615 0.479 1.00 0.00 O ATOM 205 CB ILE A 13 -5.077 -3.284 -2.172 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.498 -3.689 -2.608 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.239 -4.543 -1.926 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.678 -3.438 -4.108 1.00 0.00 C ATOM 0 H ILE A 13 -6.285 -1.151 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.598 -3.047 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.609 -2.688 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.670 -4.742 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.236 -3.119 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.183 -5.128 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.234 -4.256 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.703 -5.142 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.685 -3.727 -4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.526 -2.380 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.951 -4.028 -4.666 1.00 0.00 H new ATOM 220 N VAL A 14 -3.208 -0.968 -0.995 1.00 0.00 N ATOM 221 CA VAL A 14 -1.847 -0.506 -0.545 1.00 0.00 C ATOM 222 C VAL A 14 -1.924 -0.061 0.926 1.00 0.00 C ATOM 223 O VAL A 14 -1.038 -0.352 1.708 1.00 0.00 O ATOM 224 CB VAL A 14 -1.454 0.678 -1.450 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.073 1.200 -1.044 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.421 0.217 -2.916 1.00 0.00 C ATOM 0 H VAL A 14 -3.631 -0.423 -1.746 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.106 -1.302 -0.619 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.188 1.476 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.203 2.037 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.100 1.532 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.663 0.403 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.143 1.055 -3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.690 -0.584 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.407 -0.148 -3.205 1.00 0.00 H new ATOM 236 N ALA A 15 -2.983 0.625 1.314 1.00 0.00 N ATOM 237 CA ALA A 15 -3.098 1.060 2.753 1.00 0.00 C ATOM 238 C ALA A 15 -3.259 -0.169 3.669 1.00 0.00 C ATOM 239 O ALA A 15 -2.802 -0.163 4.796 1.00 0.00 O ATOM 240 CB ALA A 15 -4.343 1.956 2.849 1.00 0.00 C ATOM 0 H ALA A 15 -3.758 0.898 0.710 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.204 1.596 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.468 2.297 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.222 2.818 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.223 1.390 2.545 1.00 0.00 H new ATOM 246 N GLU A 16 -3.899 -1.229 3.200 1.00 0.00 N ATOM 247 CA GLU A 16 -4.073 -2.454 4.068 1.00 0.00 C ATOM 248 C GLU A 16 -2.718 -2.909 4.640 1.00 0.00 C ATOM 249 O GLU A 16 -2.643 -3.372 5.762 1.00 0.00 O ATOM 250 CB GLU A 16 -4.652 -3.554 3.163 1.00 0.00 C ATOM 251 CG GLU A 16 -5.043 -4.765 4.012 1.00 0.00 C ATOM 252 CD GLU A 16 -5.054 -6.020 3.137 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.184 -6.134 2.289 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.932 -6.845 3.330 1.00 0.00 O ATOM 0 H GLU A 16 -4.303 -1.298 2.266 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.731 -2.241 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.523 -3.177 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.917 -3.845 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.338 -4.888 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.027 -4.609 4.455 1.00 0.00 H new ATOM 261 N LYS A 17 -1.645 -2.776 3.883 1.00 0.00 N ATOM 262 CA LYS A 17 -0.304 -3.203 4.418 1.00 0.00 C ATOM 263 C LYS A 17 0.319 -2.061 5.233 1.00 0.00 C ATOM 264 O LYS A 17 0.833 -2.282 6.314 1.00 0.00 O ATOM 265 CB LYS A 17 0.578 -3.537 3.203 1.00 0.00 C ATOM 266 CG LYS A 17 0.554 -5.047 2.956 1.00 0.00 C ATOM 267 CD LYS A 17 1.721 -5.704 3.694 1.00 0.00 C ATOM 268 CE LYS A 17 1.379 -5.830 5.181 1.00 0.00 C ATOM 269 NZ LYS A 17 2.178 -6.992 5.662 1.00 0.00 N ATOM 0 H LYS A 17 -1.639 -2.398 2.936 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.399 -4.068 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.217 -3.008 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.600 -3.203 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.391 -5.467 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.624 -5.253 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.924 -6.688 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.626 -5.110 3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.638 -4.921 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.312 -5.996 5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.997 -7.142 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.905 -7.844 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.190 -6.802 5.515 1.00 0.00 H new ATOM 283 N LEU A 18 0.271 -0.841 4.736 1.00 0.00 N ATOM 284 CA LEU A 18 0.862 0.302 5.519 1.00 0.00 C ATOM 285 C LEU A 18 0.096 0.464 6.837 1.00 0.00 C ATOM 286 O LEU A 18 0.683 0.476 7.903 1.00 0.00 O ATOM 287 CB LEU A 18 0.699 1.561 4.659 1.00 0.00 C ATOM 288 CG LEU A 18 1.550 1.437 3.398 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.984 2.353 2.308 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.990 1.845 3.720 1.00 0.00 C ATOM 0 H LEU A 18 -0.144 -0.590 3.839 1.00 0.00 H new ATOM 0 HA LEU A 18 1.912 0.125 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.349 1.696 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.999 2.442 5.226 1.00 0.00 H new ATOM 0 HG LEU A 18 1.535 0.406 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.591 2.265 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.042 2.061 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.999 3.386 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.602 1.758 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.006 2.877 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.389 1.191 4.496 1.00 0.00 H new ATOM 302 N ALA A 19 -1.215 0.578 6.775 1.00 0.00 N ATOM 303 CA ALA A 19 -2.010 0.725 8.046 1.00 0.00 C ATOM 304 C ALA A 19 -1.819 -0.516 8.942 1.00 0.00 C ATOM 305 O ALA A 19 -1.907 -0.423 10.152 1.00 0.00 O ATOM 306 CB ALA A 19 -3.486 0.850 7.633 1.00 0.00 C ATOM 0 H ALA A 19 -1.763 0.576 5.914 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.682 1.598 8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.105 0.959 8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.612 1.724 6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.788 -0.044 7.088 1.00 0.00 H new ATOM 312 N GLY A 20 -1.564 -1.681 8.365 1.00 0.00 N ATOM 313 CA GLY A 20 -1.382 -2.908 9.199 1.00 0.00 C ATOM 314 C GLY A 20 0.001 -2.900 9.872 1.00 0.00 C ATOM 315 O GLY A 20 0.140 -3.342 10.996 1.00 0.00 O ATOM 0 H GLY A 20 -1.476 -1.824 7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.162 -2.958 9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.485 -3.797 8.577 1.00 0.00 H new ATOM 319 N ILE A 21 1.031 -2.411 9.201 1.00 0.00 N ATOM 320 CA ILE A 21 2.406 -2.400 9.838 1.00 0.00 C ATOM 321 C ILE A 21 2.340 -1.723 11.230 1.00 0.00 C ATOM 322 O ILE A 21 1.766 -0.659 11.361 1.00 0.00 O ATOM 323 CB ILE A 21 3.321 -1.612 8.872 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.502 -2.422 7.583 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.697 -1.371 9.503 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.692 -1.481 6.389 1.00 0.00 C ATOM 0 H ILE A 21 0.984 -2.026 8.258 1.00 0.00 H new ATOM 0 HA ILE A 21 2.790 -3.408 9.995 1.00 0.00 H new ATOM 0 HB ILE A 21 2.857 -0.649 8.658 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.365 -3.081 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.632 -3.058 7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.324 -0.815 8.806 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.580 -0.798 10.423 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.166 -2.328 9.729 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.820 -2.068 5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.816 -0.841 6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.576 -0.864 6.549 1.00 0.00 H new ATOM 338 N PRO A 22 2.920 -2.362 12.231 1.00 0.00 N ATOM 339 CA PRO A 22 2.895 -1.792 13.609 1.00 0.00 C ATOM 340 C PRO A 22 3.746 -0.511 13.729 1.00 0.00 C ATOM 341 O PRO A 22 3.529 0.284 14.625 1.00 0.00 O ATOM 342 CB PRO A 22 3.475 -2.911 14.472 1.00 0.00 C ATOM 343 CG PRO A 22 4.312 -3.721 13.538 1.00 0.00 C ATOM 344 CD PRO A 22 3.645 -3.646 12.193 1.00 0.00 C ATOM 0 HA PRO A 22 1.891 -1.491 13.907 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.072 -2.510 15.291 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.685 -3.515 14.920 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.328 -3.330 13.489 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.384 -4.754 13.878 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.374 -3.670 11.383 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.966 -4.484 12.036 1.00 0.00 H new ATOM 352 N ASN A 23 4.701 -0.287 12.845 1.00 0.00 N ATOM 353 CA ASN A 23 5.529 0.960 12.946 1.00 0.00 C ATOM 354 C ASN A 23 5.076 1.990 11.896 1.00 0.00 C ATOM 355 O ASN A 23 5.878 2.760 11.399 1.00 0.00 O ATOM 356 CB ASN A 23 6.974 0.521 12.680 1.00 0.00 C ATOM 357 CG ASN A 23 7.548 -0.143 13.937 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.463 0.407 15.016 1.00 0.00 O ATOM 359 ND2 ASN A 23 8.135 -1.313 13.848 1.00 0.00 N ATOM 0 H ASN A 23 4.937 -0.907 12.070 1.00 0.00 H new ATOM 0 HA ASN A 23 5.427 1.434 13.922 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.005 -0.175 11.842 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.581 1.382 12.402 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.517 -1.757 14.683 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.209 -1.779 12.944 1.00 0.00 H new ATOM 366 N PHE A 24 3.802 2.021 11.555 1.00 0.00 N ATOM 367 CA PHE A 24 3.317 3.009 10.545 1.00 0.00 C ATOM 368 C PHE A 24 2.091 3.755 11.099 1.00 0.00 C ATOM 369 O PHE A 24 0.967 3.325 10.914 1.00 0.00 O ATOM 370 CB PHE A 24 2.936 2.172 9.317 1.00 0.00 C ATOM 371 CG PHE A 24 3.564 2.764 8.077 1.00 0.00 C ATOM 372 CD1 PHE A 24 3.043 3.938 7.520 1.00 0.00 C ATOM 373 CD2 PHE A 24 4.668 2.139 7.485 1.00 0.00 C ATOM 374 CE1 PHE A 24 3.626 4.487 6.371 1.00 0.00 C ATOM 375 CE2 PHE A 24 5.251 2.687 6.337 1.00 0.00 C ATOM 376 CZ PHE A 24 4.730 3.861 5.780 1.00 0.00 C ATOM 0 H PHE A 24 3.084 1.404 11.935 1.00 0.00 H new ATOM 0 HA PHE A 24 4.067 3.761 10.299 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.271 1.143 9.449 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.852 2.143 9.208 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.191 4.420 7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 24 5.070 1.233 7.915 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.224 5.393 5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.103 2.204 5.881 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.180 4.284 4.894 1.00 0.00 H new ATOM 386 N ASN A 25 2.292 4.867 11.778 1.00 0.00 N ATOM 387 CA ASN A 25 1.125 5.623 12.340 1.00 0.00 C ATOM 388 C ASN A 25 0.860 6.896 11.518 1.00 0.00 C ATOM 389 O ASN A 25 -0.265 7.158 11.132 1.00 0.00 O ATOM 390 CB ASN A 25 1.521 5.985 13.775 1.00 0.00 C ATOM 391 CG ASN A 25 1.005 4.908 14.736 1.00 0.00 C ATOM 392 OD1 ASN A 25 1.557 3.828 14.803 1.00 0.00 O ATOM 393 ND2 ASN A 25 -0.039 5.152 15.492 1.00 0.00 N ATOM 0 H ASN A 25 3.207 5.278 11.964 1.00 0.00 H new ATOM 0 HA ASN A 25 0.210 5.031 12.311 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.605 6.069 13.854 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.106 6.956 14.044 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.384 4.437 16.132 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.506 6.057 15.440 1.00 0.00 H new ATOM 400 N GLU A 26 1.877 7.687 11.240 1.00 0.00 N ATOM 401 CA GLU A 26 1.655 8.934 10.439 1.00 0.00 C ATOM 402 C GLU A 26 2.130 8.723 8.993 1.00 0.00 C ATOM 403 O GLU A 26 2.801 7.754 8.696 1.00 0.00 O ATOM 404 CB GLU A 26 2.484 10.025 11.125 1.00 0.00 C ATOM 405 CG GLU A 26 1.597 10.803 12.100 1.00 0.00 C ATOM 406 CD GLU A 26 2.239 12.158 12.404 1.00 0.00 C ATOM 407 OE1 GLU A 26 2.458 12.911 11.469 1.00 0.00 O ATOM 408 OE2 GLU A 26 2.499 12.420 13.566 1.00 0.00 O ATOM 0 H GLU A 26 2.841 7.522 11.531 1.00 0.00 H new ATOM 0 HA GLU A 26 0.600 9.206 10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.323 9.578 11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.903 10.701 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.605 10.947 11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.466 10.236 13.021 1.00 0.00 H new ATOM 415 N ASP A 27 1.785 9.620 8.085 1.00 0.00 N ATOM 416 CA ASP A 27 2.217 9.463 6.656 1.00 0.00 C ATOM 417 C ASP A 27 1.825 8.073 6.118 1.00 0.00 C ATOM 418 O ASP A 27 2.572 7.462 5.378 1.00 0.00 O ATOM 419 CB ASP A 27 3.739 9.623 6.668 1.00 0.00 C ATOM 420 CG ASP A 27 4.101 11.021 7.173 1.00 0.00 C ATOM 421 OD1 ASP A 27 4.132 11.933 6.362 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.343 11.157 8.361 1.00 0.00 O ATOM 0 H ASP A 27 1.224 10.450 8.276 1.00 0.00 H new ATOM 0 HA ASP A 27 1.738 10.197 6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.190 8.865 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.139 9.472 5.665 1.00 0.00 H new ATOM 427 N ILE A 28 0.664 7.567 6.484 1.00 0.00 N ATOM 428 CA ILE A 28 0.244 6.216 5.984 1.00 0.00 C ATOM 429 C ILE A 28 -0.760 6.346 4.815 1.00 0.00 C ATOM 430 O ILE A 28 -0.754 5.533 3.909 1.00 0.00 O ATOM 431 CB ILE A 28 -0.349 5.485 7.216 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.398 3.969 6.963 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.755 6.002 7.560 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.354 3.633 5.811 1.00 0.00 C ATOM 0 H ILE A 28 -0.004 8.028 7.102 1.00 0.00 H new ATOM 0 HA ILE A 28 1.077 5.647 5.572 1.00 0.00 H new ATOM 0 HB ILE A 28 0.303 5.691 8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.602 3.604 6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.721 3.456 7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.137 5.466 8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.706 7.068 7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.420 5.840 6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.369 2.555 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.358 3.978 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.015 4.128 4.901 1.00 0.00 H new ATOM 446 N LYS A 29 -1.598 7.359 4.803 1.00 0.00 N ATOM 447 CA LYS A 29 -2.552 7.508 3.652 1.00 0.00 C ATOM 448 C LYS A 29 -1.826 8.210 2.495 1.00 0.00 C ATOM 449 O LYS A 29 -2.020 7.867 1.343 1.00 0.00 O ATOM 450 CB LYS A 29 -3.729 8.359 4.154 1.00 0.00 C ATOM 451 CG LYS A 29 -4.989 8.039 3.337 1.00 0.00 C ATOM 452 CD LYS A 29 -5.973 7.236 4.194 1.00 0.00 C ATOM 453 CE LYS A 29 -5.503 5.783 4.287 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.141 5.253 5.524 1.00 0.00 N ATOM 0 H LYS A 29 -1.664 8.077 5.525 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.913 6.544 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.909 8.160 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.487 9.418 4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.458 8.963 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.721 7.471 2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.042 7.671 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.971 7.279 3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.807 5.212 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.416 5.722 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.866 4.259 5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.827 5.812 6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.175 5.318 5.436 1.00 0.00 H new ATOM 468 N TYR A 30 -0.973 9.173 2.787 1.00 0.00 N ATOM 469 CA TYR A 30 -0.224 9.859 1.681 1.00 0.00 C ATOM 470 C TYR A 30 0.867 8.929 1.121 1.00 0.00 C ATOM 471 O TYR A 30 1.211 9.021 -0.044 1.00 0.00 O ATOM 472 CB TYR A 30 0.409 11.123 2.287 1.00 0.00 C ATOM 473 CG TYR A 30 -0.637 12.205 2.394 1.00 0.00 C ATOM 474 CD1 TYR A 30 -0.962 12.979 1.274 1.00 0.00 C ATOM 475 CD2 TYR A 30 -1.284 12.435 3.614 1.00 0.00 C ATOM 476 CE1 TYR A 30 -1.934 13.982 1.372 1.00 0.00 C ATOM 477 CE2 TYR A 30 -2.255 13.439 3.714 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.580 14.213 2.593 1.00 0.00 C ATOM 479 OH TYR A 30 -3.537 15.202 2.690 1.00 0.00 O ATOM 0 H TYR A 30 -0.767 9.507 3.728 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.891 10.116 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.820 10.901 3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.237 11.463 1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.462 12.802 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.034 11.838 4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.185 14.577 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.753 13.616 4.656 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.887 15.230 3.605 1.00 0.00 H new ATOM 489 N VAL A 31 1.413 8.027 1.922 1.00 0.00 N ATOM 490 CA VAL A 31 2.473 7.108 1.376 1.00 0.00 C ATOM 491 C VAL A 31 1.837 6.079 0.420 1.00 0.00 C ATOM 492 O VAL A 31 2.427 5.722 -0.583 1.00 0.00 O ATOM 493 CB VAL A 31 3.156 6.427 2.591 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.238 5.382 3.231 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.450 5.750 2.127 1.00 0.00 C ATOM 0 H VAL A 31 1.176 7.892 2.905 1.00 0.00 H new ATOM 0 HA VAL A 31 3.218 7.654 0.797 1.00 0.00 H new ATOM 0 HB VAL A 31 3.374 7.192 3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.745 4.923 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.322 5.863 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.992 4.615 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.934 5.270 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.217 5.000 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.120 6.498 1.703 1.00 0.00 H new ATOM 505 N ALA A 32 0.637 5.608 0.711 1.00 0.00 N ATOM 506 CA ALA A 32 -0.010 4.614 -0.219 1.00 0.00 C ATOM 507 C ALA A 32 -0.321 5.293 -1.560 1.00 0.00 C ATOM 508 O ALA A 32 -0.139 4.706 -2.609 1.00 0.00 O ATOM 509 CB ALA A 32 -1.309 4.149 0.457 1.00 0.00 C ATOM 0 H ALA A 32 0.089 5.862 1.533 1.00 0.00 H new ATOM 0 HA ALA A 32 0.647 3.766 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.813 3.425 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.075 3.685 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.962 5.007 0.619 1.00 0.00 H new ATOM 515 N GLU A 33 -0.777 6.533 -1.542 1.00 0.00 N ATOM 516 CA GLU A 33 -1.081 7.237 -2.843 1.00 0.00 C ATOM 517 C GLU A 33 0.185 7.278 -3.711 1.00 0.00 C ATOM 518 O GLU A 33 0.135 7.018 -4.898 1.00 0.00 O ATOM 519 CB GLU A 33 -1.529 8.664 -2.486 1.00 0.00 C ATOM 520 CG GLU A 33 -3.018 8.658 -2.133 1.00 0.00 C ATOM 521 CD GLU A 33 -3.589 10.066 -2.309 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.471 10.600 -3.399 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.135 10.586 -1.350 1.00 0.00 O ATOM 0 H GLU A 33 -0.949 7.080 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.860 6.719 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.946 9.040 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.346 9.335 -3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.552 7.955 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.158 8.323 -1.105 1.00 0.00 H new ATOM 530 N TYR A 34 1.323 7.575 -3.121 1.00 0.00 N ATOM 531 CA TYR A 34 2.595 7.597 -3.927 1.00 0.00 C ATOM 532 C TYR A 34 2.903 6.173 -4.407 1.00 0.00 C ATOM 533 O TYR A 34 3.298 5.968 -5.539 1.00 0.00 O ATOM 534 CB TYR A 34 3.705 8.111 -2.987 1.00 0.00 C ATOM 535 CG TYR A 34 5.071 8.087 -3.661 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.204 8.217 -5.058 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.216 7.956 -2.867 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.475 8.214 -5.643 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.484 7.949 -3.455 1.00 0.00 C ATOM 540 CZ TYR A 34 7.615 8.079 -4.843 1.00 0.00 C ATOM 541 OH TYR A 34 8.867 8.081 -5.421 1.00 0.00 O ATOM 0 H TYR A 34 1.428 7.800 -2.132 1.00 0.00 H new ATOM 0 HA TYR A 34 2.515 8.240 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.473 9.128 -2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.733 7.497 -2.087 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.325 8.319 -5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.119 7.860 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.576 8.316 -6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.364 7.843 -2.838 1.00 0.00 H new ATOM 0 HH TYR A 34 9.547 8.220 -4.729 1.00 0.00 H new ATOM 551 N ILE A 35 2.705 5.181 -3.560 1.00 0.00 N ATOM 552 CA ILE A 35 2.967 3.759 -3.991 1.00 0.00 C ATOM 553 C ILE A 35 2.087 3.439 -5.214 1.00 0.00 C ATOM 554 O ILE A 35 2.550 2.857 -6.177 1.00 0.00 O ATOM 555 CB ILE A 35 2.609 2.874 -2.777 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.659 3.090 -1.687 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.588 1.391 -3.163 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.082 2.689 -0.331 1.00 0.00 C ATOM 0 H ILE A 35 2.377 5.291 -2.600 1.00 0.00 H new ATOM 0 HA ILE A 35 4.002 3.588 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 35 1.617 3.152 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.549 2.499 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.967 4.135 -1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.333 0.791 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.845 1.229 -3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.571 1.097 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.833 2.844 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.205 3.299 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.796 1.637 -0.354 1.00 0.00 H new ATOM 570 N VAL A 36 0.833 3.841 -5.193 1.00 0.00 N ATOM 571 CA VAL A 36 -0.048 3.579 -6.385 1.00 0.00 C ATOM 572 C VAL A 36 0.500 4.360 -7.587 1.00 0.00 C ATOM 573 O VAL A 36 0.546 3.849 -8.690 1.00 0.00 O ATOM 574 CB VAL A 36 -1.461 4.066 -6.020 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.412 3.813 -7.191 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.956 3.301 -4.788 1.00 0.00 C ATOM 0 H VAL A 36 0.387 4.331 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.073 2.521 -6.645 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.432 5.134 -5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.412 4.159 -6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.059 4.354 -8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.443 2.746 -7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.957 3.643 -4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.983 2.234 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.280 3.481 -3.952 1.00 0.00 H new ATOM 586 N LEU A 37 0.942 5.590 -7.381 1.00 0.00 N ATOM 587 CA LEU A 37 1.515 6.377 -8.535 1.00 0.00 C ATOM 588 C LEU A 37 2.717 5.610 -9.100 1.00 0.00 C ATOM 589 O LEU A 37 2.863 5.474 -10.300 1.00 0.00 O ATOM 590 CB LEU A 37 1.980 7.736 -7.984 1.00 0.00 C ATOM 591 CG LEU A 37 1.708 8.831 -9.021 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.388 9.532 -8.692 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.849 9.854 -8.995 1.00 0.00 C ATOM 0 H LEU A 37 0.931 6.074 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 37 0.776 6.521 -9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.456 7.962 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.044 7.700 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 37 1.643 8.383 -10.012 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.196 10.311 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.424 8.805 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.451 9.980 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.656 10.633 -9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.914 10.301 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.790 9.356 -9.231 1.00 0.00 H new ATOM 605 N LEU A 38 3.569 5.080 -8.237 1.00 0.00 N ATOM 606 CA LEU A 38 4.743 4.296 -8.748 1.00 0.00 C ATOM 607 C LEU A 38 4.213 3.064 -9.491 1.00 0.00 C ATOM 608 O LEU A 38 4.645 2.752 -10.585 1.00 0.00 O ATOM 609 CB LEU A 38 5.569 3.861 -7.526 1.00 0.00 C ATOM 610 CG LEU A 38 6.142 5.092 -6.825 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.438 4.752 -5.362 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.436 5.516 -7.521 1.00 0.00 C ATOM 0 H LEU A 38 3.501 5.157 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 38 5.359 4.885 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.944 3.296 -6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.377 3.200 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 38 5.420 5.907 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.847 5.629 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.517 4.447 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.161 3.938 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.846 6.394 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.158 4.701 -7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.227 5.755 -8.564 1.00 0.00 H new ATOM 624 N ILE A 39 3.249 2.381 -8.910 1.00 0.00 N ATOM 625 CA ILE A 39 2.652 1.179 -9.597 1.00 0.00 C ATOM 626 C ILE A 39 2.034 1.627 -10.933 1.00 0.00 C ATOM 627 O ILE A 39 2.162 0.952 -11.937 1.00 0.00 O ATOM 628 CB ILE A 39 1.564 0.644 -8.633 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.236 0.061 -7.376 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.691 -0.421 -9.316 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.948 -1.261 -7.698 1.00 0.00 C ATOM 0 H ILE A 39 2.851 2.600 -7.997 1.00 0.00 H new ATOM 0 HA ILE A 39 3.389 0.406 -9.815 1.00 0.00 H new ATOM 0 HB ILE A 39 0.914 1.471 -8.348 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.954 0.778 -6.977 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.487 -0.104 -6.602 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.063 -0.778 -8.615 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.200 0.014 -10.186 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.316 -1.256 -9.632 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.415 -1.653 -6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.223 -1.983 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.713 -1.087 -8.455 1.00 0.00 H new ATOM 643 N VAL A 40 1.377 2.767 -10.950 1.00 0.00 N ATOM 644 CA VAL A 40 0.765 3.258 -12.234 1.00 0.00 C ATOM 645 C VAL A 40 1.841 3.841 -13.170 1.00 0.00 C ATOM 646 O VAL A 40 1.616 3.950 -14.362 1.00 0.00 O ATOM 647 CB VAL A 40 -0.244 4.356 -11.851 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.987 4.827 -13.105 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.254 3.811 -10.830 1.00 0.00 C ATOM 0 H VAL A 40 1.238 3.373 -10.141 1.00 0.00 H new ATOM 0 HA VAL A 40 0.283 2.437 -12.765 1.00 0.00 H new ATOM 0 HB VAL A 40 0.293 5.194 -11.407 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.701 5.604 -12.834 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.271 5.226 -13.824 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.518 3.986 -13.551 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.963 4.595 -10.566 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.791 2.967 -11.264 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.726 3.483 -9.935 1.00 0.00 H new ATOM 659 N ASN A 41 2.999 4.236 -12.661 1.00 0.00 N ATOM 660 CA ASN A 41 4.038 4.820 -13.567 1.00 0.00 C ATOM 661 C ASN A 41 5.179 3.828 -13.890 1.00 0.00 C ATOM 662 O ASN A 41 5.921 4.048 -14.831 1.00 0.00 O ATOM 663 CB ASN A 41 4.548 6.095 -12.850 1.00 0.00 C ATOM 664 CG ASN A 41 5.511 5.787 -11.685 1.00 0.00 C ATOM 665 OD1 ASN A 41 5.981 4.678 -11.524 1.00 0.00 O ATOM 666 ND2 ASN A 41 5.821 6.747 -10.842 1.00 0.00 N ATOM 0 H ASN A 41 3.258 4.178 -11.676 1.00 0.00 H new ATOM 0 HA ASN A 41 3.614 5.057 -14.543 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.054 6.734 -13.573 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.695 6.657 -12.470 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.450 6.557 -10.062 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.432 7.682 -10.968 1.00 0.00 H new ATOM 673 N GLY A 42 5.343 2.748 -13.141 1.00 0.00 N ATOM 674 CA GLY A 42 6.453 1.797 -13.462 1.00 0.00 C ATOM 675 C GLY A 42 5.980 0.354 -13.257 1.00 0.00 C ATOM 676 O GLY A 42 5.757 -0.370 -14.210 1.00 0.00 O ATOM 0 H GLY A 42 4.765 2.495 -12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.779 1.939 -14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.314 2.001 -12.825 1.00 0.00 H new ATOM 680 N GLY A 43 5.824 -0.073 -12.024 1.00 0.00 N ATOM 681 CA GLY A 43 5.367 -1.469 -11.764 1.00 0.00 C ATOM 682 C GLY A 43 6.571 -2.407 -11.552 1.00 0.00 C ATOM 683 O GLY A 43 6.502 -3.579 -11.868 1.00 0.00 O ATOM 0 H GLY A 43 5.995 0.488 -11.190 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.725 -1.488 -10.883 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.768 -1.823 -12.603 1.00 0.00 H new ATOM 687 N THR A 44 7.660 -1.916 -10.997 1.00 0.00 N ATOM 688 CA THR A 44 8.839 -2.792 -10.742 1.00 0.00 C ATOM 689 C THR A 44 9.195 -2.708 -9.249 1.00 0.00 C ATOM 690 O THR A 44 9.471 -1.638 -8.738 1.00 0.00 O ATOM 691 CB THR A 44 9.958 -2.226 -11.617 1.00 0.00 C ATOM 692 OG1 THR A 44 10.128 -0.844 -11.334 1.00 0.00 O ATOM 693 CG2 THR A 44 9.588 -2.406 -13.092 1.00 0.00 C ATOM 0 H THR A 44 7.776 -0.944 -10.712 1.00 0.00 H new ATOM 0 HA THR A 44 8.660 -3.841 -10.978 1.00 0.00 H new ATOM 0 HB THR A 44 10.888 -2.754 -11.408 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.124 -0.706 -10.364 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.384 -2.003 -13.719 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.458 -3.466 -13.308 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.659 -1.876 -13.301 1.00 0.00 H new ATOM 701 N VAL A 45 9.161 -3.816 -8.534 1.00 0.00 N ATOM 702 CA VAL A 45 9.466 -3.765 -7.052 1.00 0.00 C ATOM 703 C VAL A 45 10.790 -3.029 -6.766 1.00 0.00 C ATOM 704 O VAL A 45 10.932 -2.414 -5.726 1.00 0.00 O ATOM 705 CB VAL A 45 9.546 -5.226 -6.554 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.914 -5.249 -5.064 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.186 -5.905 -6.731 1.00 0.00 C ATOM 0 H VAL A 45 8.939 -4.741 -8.902 1.00 0.00 H new ATOM 0 HA VAL A 45 8.684 -3.212 -6.532 1.00 0.00 H new ATOM 0 HB VAL A 45 10.305 -5.753 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.969 -6.281 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.881 -4.766 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.154 -4.715 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.245 -6.935 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.433 -5.367 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.910 -5.897 -7.785 1.00 0.00 H new ATOM 717 N GLU A 46 11.761 -3.084 -7.652 1.00 0.00 N ATOM 718 CA GLU A 46 13.055 -2.375 -7.359 1.00 0.00 C ATOM 719 C GLU A 46 12.859 -0.863 -7.479 1.00 0.00 C ATOM 720 O GLU A 46 13.031 -0.141 -6.513 1.00 0.00 O ATOM 721 CB GLU A 46 14.086 -2.872 -8.384 1.00 0.00 C ATOM 722 CG GLU A 46 14.214 -4.393 -8.283 1.00 0.00 C ATOM 723 CD GLU A 46 15.575 -4.828 -8.830 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.702 -4.921 -10.040 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.466 -5.061 -8.031 1.00 0.00 O ATOM 0 H GLU A 46 11.718 -3.576 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 46 13.397 -2.584 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.779 -2.588 -9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.052 -2.402 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.109 -4.709 -7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.414 -4.874 -8.845 1.00 0.00 H new ATOM 732 N SER A 47 12.483 -0.370 -8.640 1.00 0.00 N ATOM 733 CA SER A 47 12.264 1.114 -8.765 1.00 0.00 C ATOM 734 C SER A 47 11.126 1.542 -7.827 1.00 0.00 C ATOM 735 O SER A 47 11.165 2.616 -7.257 1.00 0.00 O ATOM 736 CB SER A 47 11.893 1.399 -10.226 1.00 0.00 C ATOM 737 OG SER A 47 10.495 1.208 -10.401 1.00 0.00 O ATOM 0 H SER A 47 12.321 -0.914 -9.488 1.00 0.00 H new ATOM 0 HA SER A 47 13.159 1.671 -8.489 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.168 2.420 -10.491 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.448 0.737 -10.890 1.00 0.00 H new ATOM 0 HG SER A 47 10.341 0.553 -11.114 1.00 0.00 H new ATOM 743 N VAL A 48 10.116 0.709 -7.647 1.00 0.00 N ATOM 744 CA VAL A 48 8.996 1.097 -6.723 1.00 0.00 C ATOM 745 C VAL A 48 9.506 1.125 -5.279 1.00 0.00 C ATOM 746 O VAL A 48 9.275 2.084 -4.569 1.00 0.00 O ATOM 747 CB VAL A 48 7.878 0.046 -6.891 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.719 0.360 -5.940 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.359 0.082 -8.331 1.00 0.00 C ATOM 0 H VAL A 48 10.022 -0.204 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 48 8.614 2.090 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 48 8.281 -0.941 -6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.934 -0.386 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.078 0.341 -4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.320 1.348 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.569 -0.660 -8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.962 1.073 -8.550 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.175 -0.142 -9.018 1.00 0.00 H new ATOM 759 N VAL A 49 10.209 0.104 -4.836 1.00 0.00 N ATOM 760 CA VAL A 49 10.723 0.134 -3.420 1.00 0.00 C ATOM 761 C VAL A 49 11.790 1.233 -3.288 1.00 0.00 C ATOM 762 O VAL A 49 11.866 1.903 -2.273 1.00 0.00 O ATOM 763 CB VAL A 49 11.307 -1.262 -3.120 1.00 0.00 C ATOM 764 CG1 VAL A 49 11.987 -1.270 -1.745 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.171 -2.289 -3.115 1.00 0.00 C ATOM 0 H VAL A 49 10.445 -0.729 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 49 9.931 0.361 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 49 12.042 -1.511 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.395 -2.261 -1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.794 -0.537 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.257 -1.017 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.576 -3.279 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.444 -2.023 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.684 -2.297 -4.090 1.00 0.00 H new ATOM 775 N ASP A 50 12.607 1.439 -4.302 1.00 0.00 N ATOM 776 CA ASP A 50 13.649 2.521 -4.204 1.00 0.00 C ATOM 777 C ASP A 50 12.977 3.889 -3.999 1.00 0.00 C ATOM 778 O ASP A 50 13.508 4.738 -3.306 1.00 0.00 O ATOM 779 CB ASP A 50 14.433 2.509 -5.527 1.00 0.00 C ATOM 780 CG ASP A 50 15.842 3.058 -5.291 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.555 2.480 -4.488 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.183 4.047 -5.918 1.00 0.00 O ATOM 0 H ASP A 50 12.599 0.916 -5.177 1.00 0.00 H new ATOM 0 HA ASP A 50 14.312 2.347 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.488 1.494 -5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.917 3.112 -6.273 1.00 0.00 H new ATOM 787 N GLU A 51 11.816 4.117 -4.587 1.00 0.00 N ATOM 788 CA GLU A 51 11.143 5.451 -4.396 1.00 0.00 C ATOM 789 C GLU A 51 10.647 5.590 -2.951 1.00 0.00 C ATOM 790 O GLU A 51 10.775 6.644 -2.355 1.00 0.00 O ATOM 791 CB GLU A 51 9.962 5.517 -5.379 1.00 0.00 C ATOM 792 CG GLU A 51 10.387 6.279 -6.637 1.00 0.00 C ATOM 793 CD GLU A 51 10.852 5.291 -7.706 1.00 0.00 C ATOM 794 OE1 GLU A 51 12.018 4.930 -7.684 1.00 0.00 O ATOM 795 OE2 GLU A 51 10.035 4.909 -8.528 1.00 0.00 O ATOM 0 H GLU A 51 11.316 3.453 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 51 11.841 6.266 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.638 4.510 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.112 6.013 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.553 6.871 -7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.191 6.975 -6.398 1.00 0.00 H new ATOM 802 N LEU A 52 10.104 4.539 -2.370 1.00 0.00 N ATOM 803 CA LEU A 52 9.634 4.650 -0.947 1.00 0.00 C ATOM 804 C LEU A 52 10.858 4.715 -0.028 1.00 0.00 C ATOM 805 O LEU A 52 10.883 5.478 0.914 1.00 0.00 O ATOM 806 CB LEU A 52 8.798 3.393 -0.619 1.00 0.00 C ATOM 807 CG LEU A 52 7.357 3.497 -1.162 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.702 4.824 -0.752 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.373 3.380 -2.685 1.00 0.00 C ATOM 0 H LEU A 52 9.968 3.628 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 52 9.029 5.546 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.283 2.514 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.769 3.249 0.461 1.00 0.00 H new ATOM 0 HG LEU A 52 6.772 2.683 -0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.688 4.867 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.669 4.893 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.284 5.655 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.355 3.454 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.977 4.184 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.799 2.419 -2.972 1.00 0.00 H new ATOM 821 N ALA A 53 11.881 3.930 -0.300 1.00 0.00 N ATOM 822 CA ALA A 53 13.105 3.980 0.575 1.00 0.00 C ATOM 823 C ALA A 53 13.734 5.380 0.503 1.00 0.00 C ATOM 824 O ALA A 53 14.200 5.902 1.498 1.00 0.00 O ATOM 825 CB ALA A 53 14.086 2.926 0.036 1.00 0.00 C ATOM 0 H ALA A 53 11.923 3.268 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 53 12.856 3.775 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.991 2.928 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.622 1.941 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.341 3.161 -0.997 1.00 0.00 H new ATOM 831 N SER A 54 13.745 6.000 -0.662 1.00 0.00 N ATOM 832 CA SER A 54 14.348 7.381 -0.766 1.00 0.00 C ATOM 833 C SER A 54 13.643 8.352 0.198 1.00 0.00 C ATOM 834 O SER A 54 14.263 9.256 0.728 1.00 0.00 O ATOM 835 CB SER A 54 14.149 7.843 -2.217 1.00 0.00 C ATOM 836 OG SER A 54 14.624 9.176 -2.355 1.00 0.00 O ATOM 0 H SER A 54 13.370 5.620 -1.531 1.00 0.00 H new ATOM 0 HA SER A 54 15.405 7.362 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.685 7.182 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.094 7.791 -2.486 1.00 0.00 H new ATOM 0 HG SER A 54 14.500 9.473 -3.281 1.00 0.00 H new ATOM 842 N LEU A 55 12.356 8.181 0.432 1.00 0.00 N ATOM 843 CA LEU A 55 11.637 9.110 1.369 1.00 0.00 C ATOM 844 C LEU A 55 11.465 8.456 2.749 1.00 0.00 C ATOM 845 O LEU A 55 11.663 9.093 3.767 1.00 0.00 O ATOM 846 CB LEU A 55 10.268 9.374 0.727 1.00 0.00 C ATOM 847 CG LEU A 55 10.346 10.626 -0.147 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.237 10.583 -1.199 1.00 0.00 C ATOM 849 CD2 LEU A 55 10.167 11.869 0.728 1.00 0.00 C ATOM 0 H LEU A 55 11.780 7.447 0.019 1.00 0.00 H new ATOM 0 HA LEU A 55 12.194 10.034 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.965 8.517 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.511 9.504 1.500 1.00 0.00 H new ATOM 0 HG LEU A 55 11.316 10.664 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.292 11.475 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.360 9.697 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.267 10.546 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.222 12.763 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.196 11.830 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.955 11.901 1.480 1.00 0.00 H new ATOM 861 N PHE A 56 11.106 7.192 2.794 1.00 0.00 N ATOM 862 CA PHE A 56 10.929 6.504 4.110 1.00 0.00 C ATOM 863 C PHE A 56 12.103 5.542 4.347 1.00 0.00 C ATOM 864 O PHE A 56 11.965 4.341 4.200 1.00 0.00 O ATOM 865 CB PHE A 56 9.608 5.725 4.009 1.00 0.00 C ATOM 866 CG PHE A 56 8.484 6.662 3.623 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.023 7.617 4.536 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.911 6.578 2.348 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.986 8.486 4.175 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.878 7.448 1.987 1.00 0.00 C ATOM 871 CZ PHE A 56 6.414 8.401 2.900 1.00 0.00 C ATOM 0 H PHE A 56 10.929 6.610 1.975 1.00 0.00 H new ATOM 0 HA PHE A 56 10.905 7.210 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.700 4.930 3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.384 5.248 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.467 7.684 5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.267 5.841 1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.628 9.222 4.880 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.438 7.384 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.614 9.071 2.621 1.00 0.00 H new ATOM 881 N ASP A 57 13.261 6.055 4.719 1.00 0.00 N ATOM 882 CA ASP A 57 14.433 5.150 4.968 1.00 0.00 C ATOM 883 C ASP A 57 14.630 4.900 6.480 1.00 0.00 C ATOM 884 O ASP A 57 15.734 4.642 6.922 1.00 0.00 O ATOM 885 CB ASP A 57 15.660 5.862 4.363 1.00 0.00 C ATOM 886 CG ASP A 57 15.968 7.156 5.130 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.713 7.087 6.094 1.00 0.00 O ATOM 888 OD2 ASP A 57 15.453 8.190 4.737 1.00 0.00 O ATOM 0 H ASP A 57 13.441 7.049 4.859 1.00 0.00 H new ATOM 0 HA ASP A 57 14.279 4.172 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.525 5.199 4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.474 6.091 3.314 1.00 0.00 H new ATOM 893 N SER A 58 13.577 4.961 7.274 1.00 0.00 N ATOM 894 CA SER A 58 13.737 4.709 8.746 1.00 0.00 C ATOM 895 C SER A 58 13.364 3.253 9.083 1.00 0.00 C ATOM 896 O SER A 58 13.995 2.629 9.915 1.00 0.00 O ATOM 897 CB SER A 58 12.785 5.683 9.448 1.00 0.00 C ATOM 898 OG SER A 58 13.397 6.965 9.524 1.00 0.00 O ATOM 0 H SER A 58 12.627 5.172 6.969 1.00 0.00 H new ATOM 0 HA SER A 58 14.767 4.860 9.068 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.844 5.748 8.901 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.548 5.321 10.448 1.00 0.00 H new ATOM 0 HG SER A 58 12.790 7.591 9.971 1.00 0.00 H new ATOM 904 N VAL A 59 12.350 2.706 8.443 1.00 0.00 N ATOM 905 CA VAL A 59 11.959 1.284 8.738 1.00 0.00 C ATOM 906 C VAL A 59 12.734 0.316 7.827 1.00 0.00 C ATOM 907 O VAL A 59 13.187 0.688 6.762 1.00 0.00 O ATOM 908 CB VAL A 59 10.438 1.186 8.489 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.117 1.398 6.998 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.946 -0.196 8.930 1.00 0.00 C ATOM 0 H VAL A 59 11.783 3.176 7.738 1.00 0.00 H new ATOM 0 HA VAL A 59 12.198 1.010 9.766 1.00 0.00 H new ATOM 0 HB VAL A 59 9.934 1.963 9.064 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.040 1.325 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.462 2.384 6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.621 0.635 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.873 -0.272 8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.462 -0.966 8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.153 -0.334 9.991 1.00 0.00 H new ATOM 920 N SER A 60 12.899 -0.924 8.245 1.00 0.00 N ATOM 921 CA SER A 60 13.663 -1.912 7.394 1.00 0.00 C ATOM 922 C SER A 60 13.072 -1.985 5.973 1.00 0.00 C ATOM 923 O SER A 60 11.875 -1.883 5.790 1.00 0.00 O ATOM 924 CB SER A 60 13.533 -3.280 8.083 1.00 0.00 C ATOM 925 OG SER A 60 14.542 -3.404 9.076 1.00 0.00 O ATOM 0 H SER A 60 12.544 -1.294 9.127 1.00 0.00 H new ATOM 0 HA SER A 60 14.706 -1.608 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.547 -3.379 8.536 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.629 -4.080 7.349 1.00 0.00 H new ATOM 0 HG SER A 60 14.460 -4.275 9.518 1.00 0.00 H new ATOM 931 N ARG A 61 13.906 -2.169 4.965 1.00 0.00 N ATOM 932 CA ARG A 61 13.384 -2.253 3.548 1.00 0.00 C ATOM 933 C ARG A 61 12.272 -3.310 3.436 1.00 0.00 C ATOM 934 O ARG A 61 11.350 -3.158 2.657 1.00 0.00 O ATOM 935 CB ARG A 61 14.575 -2.655 2.663 1.00 0.00 C ATOM 936 CG ARG A 61 15.494 -1.447 2.459 1.00 0.00 C ATOM 937 CD ARG A 61 16.049 -1.459 1.032 1.00 0.00 C ATOM 938 NE ARG A 61 17.311 -2.244 1.118 1.00 0.00 N ATOM 939 CZ ARG A 61 18.443 -1.701 0.761 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.743 -0.496 1.160 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.274 -2.365 0.004 1.00 0.00 N ATOM 0 H ARG A 61 14.917 -2.264 5.059 1.00 0.00 H new ATOM 0 HA ARG A 61 12.959 -1.298 3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.128 -3.471 3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.218 -3.020 1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.943 -0.524 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.312 -1.474 3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.345 -1.918 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.237 -0.447 0.673 1.00 0.00 H new ATOM 0 HE ARG A 61 17.291 -3.206 1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.093 0.022 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.628 -0.072 0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.038 -3.307 -0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.159 -1.942 -0.276 1.00 0.00 H new ATOM 955 N ASP A 62 12.347 -4.384 4.199 1.00 0.00 N ATOM 956 CA ASP A 62 11.275 -5.443 4.110 1.00 0.00 C ATOM 957 C ASP A 62 9.888 -4.830 4.365 1.00 0.00 C ATOM 958 O ASP A 62 8.916 -5.222 3.745 1.00 0.00 O ATOM 959 CB ASP A 62 11.595 -6.492 5.188 1.00 0.00 C ATOM 960 CG ASP A 62 12.766 -7.359 4.726 1.00 0.00 C ATOM 961 OD1 ASP A 62 12.641 -7.984 3.686 1.00 0.00 O ATOM 962 OD2 ASP A 62 13.770 -7.383 5.420 1.00 0.00 O ATOM 0 H ASP A 62 13.092 -4.573 4.870 1.00 0.00 H new ATOM 0 HA ASP A 62 11.258 -5.892 3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.843 -5.999 6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.720 -7.114 5.376 1.00 0.00 H new ATOM 967 N THR A 63 9.785 -3.871 5.261 1.00 0.00 N ATOM 968 CA THR A 63 8.439 -3.246 5.526 1.00 0.00 C ATOM 969 C THR A 63 7.993 -2.452 4.290 1.00 0.00 C ATOM 970 O THR A 63 6.846 -2.520 3.889 1.00 0.00 O ATOM 971 CB THR A 63 8.605 -2.317 6.744 1.00 0.00 C ATOM 972 OG1 THR A 63 8.995 -3.088 7.875 1.00 0.00 O ATOM 973 CG2 THR A 63 7.278 -1.615 7.044 1.00 0.00 C ATOM 0 H THR A 63 10.558 -3.498 5.812 1.00 0.00 H new ATOM 0 HA THR A 63 7.679 -4.001 5.730 1.00 0.00 H new ATOM 0 HB THR A 63 9.368 -1.570 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.656 -2.665 8.692 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.400 -0.959 7.906 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.975 -1.025 6.179 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.513 -2.360 7.261 1.00 0.00 H new ATOM 981 N LEU A 64 8.890 -1.712 3.674 1.00 0.00 N ATOM 982 CA LEU A 64 8.492 -0.934 2.450 1.00 0.00 C ATOM 983 C LEU A 64 8.201 -1.915 1.309 1.00 0.00 C ATOM 984 O LEU A 64 7.226 -1.772 0.596 1.00 0.00 O ATOM 985 CB LEU A 64 9.677 -0.023 2.084 1.00 0.00 C ATOM 986 CG LEU A 64 10.041 0.877 3.281 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.480 0.594 3.724 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.923 2.349 2.877 1.00 0.00 C ATOM 0 H LEU A 64 9.864 -1.613 3.959 1.00 0.00 H new ATOM 0 HA LEU A 64 7.598 -0.336 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.537 -0.629 1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.421 0.592 1.221 1.00 0.00 H new ATOM 0 HG LEU A 64 9.356 0.666 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.732 1.233 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.571 -0.451 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.162 0.799 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.181 2.981 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.604 2.555 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.900 2.560 2.566 1.00 0.00 H new ATOM 1000 N ALA A 65 9.034 -2.921 1.140 1.00 0.00 N ATOM 1001 CA ALA A 65 8.779 -3.921 0.042 1.00 0.00 C ATOM 1002 C ALA A 65 7.429 -4.622 0.275 1.00 0.00 C ATOM 1003 O ALA A 65 6.715 -4.918 -0.665 1.00 0.00 O ATOM 1004 CB ALA A 65 9.924 -4.945 0.096 1.00 0.00 C ATOM 0 H ALA A 65 9.866 -3.093 1.704 1.00 0.00 H new ATOM 0 HA ALA A 65 8.740 -3.433 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.781 -5.692 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.875 -4.436 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.929 -5.434 1.070 1.00 0.00 H new ATOM 1010 N ASN A 66 7.069 -4.891 1.516 1.00 0.00 N ATOM 1011 CA ASN A 66 5.752 -5.577 1.778 1.00 0.00 C ATOM 1012 C ASN A 66 4.594 -4.722 1.238 1.00 0.00 C ATOM 1013 O ASN A 66 3.650 -5.247 0.677 1.00 0.00 O ATOM 1014 CB ASN A 66 5.625 -5.735 3.302 1.00 0.00 C ATOM 1015 CG ASN A 66 6.483 -6.917 3.768 1.00 0.00 C ATOM 1016 OD1 ASN A 66 7.503 -7.207 3.175 1.00 0.00 O ATOM 1017 ND2 ASN A 66 6.117 -7.620 4.812 1.00 0.00 N ATOM 0 H ASN A 66 7.619 -4.670 2.346 1.00 0.00 H new ATOM 0 HA ASN A 66 5.712 -6.546 1.281 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.946 -4.820 3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.583 -5.899 3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.688 -8.406 5.123 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.262 -7.381 5.313 1.00 0.00 H new ATOM 1024 N VAL A 67 4.657 -3.412 1.387 1.00 0.00 N ATOM 1025 CA VAL A 67 3.538 -2.554 0.854 1.00 0.00 C ATOM 1026 C VAL A 67 3.600 -2.525 -0.686 1.00 0.00 C ATOM 1027 O VAL A 67 2.578 -2.537 -1.347 1.00 0.00 O ATOM 1028 CB VAL A 67 3.733 -1.147 1.444 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.642 -0.211 0.920 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.641 -1.224 2.973 1.00 0.00 C ATOM 0 H VAL A 67 5.417 -2.909 1.844 1.00 0.00 H new ATOM 0 HA VAL A 67 2.561 -2.946 1.135 1.00 0.00 H new ATOM 0 HB VAL A 67 4.710 -0.763 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.784 0.785 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.700 -0.157 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.664 -0.592 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.779 -0.229 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.662 -1.608 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.417 -1.890 3.351 1.00 0.00 H new ATOM 1040 N VAL A 68 4.784 -2.508 -1.266 1.00 0.00 N ATOM 1041 CA VAL A 68 4.877 -2.509 -2.771 1.00 0.00 C ATOM 1042 C VAL A 68 4.431 -3.883 -3.308 1.00 0.00 C ATOM 1043 O VAL A 68 3.801 -3.964 -4.345 1.00 0.00 O ATOM 1044 CB VAL A 68 6.356 -2.238 -3.114 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.580 -2.351 -4.624 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.731 -0.826 -2.653 1.00 0.00 C ATOM 0 H VAL A 68 5.677 -2.494 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 68 4.234 -1.753 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 68 6.978 -2.975 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.628 -2.157 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.316 -3.355 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.956 -1.622 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.776 -0.630 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.099 -0.098 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.585 -0.744 -1.576 1.00 0.00 H new ATOM 1056 N GLN A 69 4.750 -4.965 -2.617 1.00 0.00 N ATOM 1057 CA GLN A 69 4.327 -6.320 -3.122 1.00 0.00 C ATOM 1058 C GLN A 69 2.799 -6.455 -3.073 1.00 0.00 C ATOM 1059 O GLN A 69 2.200 -7.009 -3.977 1.00 0.00 O ATOM 1060 CB GLN A 69 4.984 -7.364 -2.204 1.00 0.00 C ATOM 1061 CG GLN A 69 4.742 -8.765 -2.770 1.00 0.00 C ATOM 1062 CD GLN A 69 5.362 -9.808 -1.832 1.00 0.00 C ATOM 1063 OE1 GLN A 69 6.222 -10.565 -2.236 1.00 0.00 O ATOM 1064 NE2 GLN A 69 4.962 -9.887 -0.585 1.00 0.00 N ATOM 0 H GLN A 69 5.275 -4.968 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 69 4.636 -6.462 -4.158 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.054 -7.172 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.571 -7.290 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.672 -8.946 -2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.180 -8.848 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.240 -9.254 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.373 -10.581 0.039 1.00 0.00 H new ATOM 1073 N THR A 70 2.157 -5.956 -2.036 1.00 0.00 N ATOM 1074 CA THR A 70 0.655 -6.077 -1.975 1.00 0.00 C ATOM 1075 C THR A 70 -0.002 -5.226 -3.079 1.00 0.00 C ATOM 1076 O THR A 70 -1.063 -5.570 -3.565 1.00 0.00 O ATOM 1077 CB THR A 70 0.205 -5.612 -0.576 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.204 -5.757 -0.465 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.583 -4.149 -0.346 1.00 0.00 C ATOM 0 H THR A 70 2.594 -5.481 -1.246 1.00 0.00 H new ATOM 0 HA THR A 70 0.348 -7.110 -2.142 1.00 0.00 H new ATOM 0 HB THR A 70 0.705 -6.224 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.494 -5.464 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.256 -3.841 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.664 -4.036 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.098 -3.526 -1.097 1.00 0.00 H new ATOM 1087 N ALA A 71 0.614 -4.133 -3.497 1.00 0.00 N ATOM 1088 CA ALA A 71 -0.011 -3.309 -4.591 1.00 0.00 C ATOM 1089 C ALA A 71 0.033 -4.096 -5.910 1.00 0.00 C ATOM 1090 O ALA A 71 -0.914 -4.075 -6.675 1.00 0.00 O ATOM 1091 CB ALA A 71 0.811 -2.015 -4.716 1.00 0.00 C ATOM 0 H ALA A 71 1.502 -3.784 -3.136 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.052 -3.077 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.387 -1.389 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.786 -1.475 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.843 -2.262 -4.966 1.00 0.00 H new ATOM 1097 N PHE A 72 1.117 -4.803 -6.183 1.00 0.00 N ATOM 1098 CA PHE A 72 1.182 -5.597 -7.463 1.00 0.00 C ATOM 1099 C PHE A 72 0.054 -6.638 -7.472 1.00 0.00 C ATOM 1100 O PHE A 72 -0.650 -6.783 -8.454 1.00 0.00 O ATOM 1101 CB PHE A 72 2.551 -6.294 -7.489 1.00 0.00 C ATOM 1102 CG PHE A 72 3.595 -5.308 -7.945 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.588 -4.845 -9.265 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.568 -4.851 -7.049 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.553 -3.926 -9.689 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.531 -3.930 -7.474 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.527 -3.468 -8.791 1.00 0.00 C ATOM 0 H PHE A 72 1.943 -4.864 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 72 1.062 -4.957 -8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.799 -6.674 -6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.524 -7.152 -8.161 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.837 -5.197 -9.957 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.575 -5.209 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.548 -3.569 -10.708 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.280 -3.575 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.273 -2.759 -9.118 1.00 0.00 H new ATOM 1117 N PHE A 73 -0.140 -7.351 -6.378 1.00 0.00 N ATOM 1118 CA PHE A 73 -1.253 -8.365 -6.341 1.00 0.00 C ATOM 1119 C PHE A 73 -2.599 -7.651 -6.558 1.00 0.00 C ATOM 1120 O PHE A 73 -3.466 -8.158 -7.246 1.00 0.00 O ATOM 1121 CB PHE A 73 -1.219 -9.017 -4.949 1.00 0.00 C ATOM 1122 CG PHE A 73 -0.231 -10.159 -4.951 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -0.567 -11.373 -5.561 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.020 -10.003 -4.342 1.00 0.00 C ATOM 1125 CE1 PHE A 73 0.349 -12.433 -5.561 1.00 0.00 C ATOM 1126 CE2 PHE A 73 1.935 -11.062 -4.343 1.00 0.00 C ATOM 1127 CZ PHE A 73 1.599 -12.277 -4.952 1.00 0.00 C ATOM 0 H PHE A 73 0.413 -7.277 -5.524 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.133 -9.117 -7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.937 -8.280 -4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.211 -9.381 -4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.532 -11.493 -6.031 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.279 -9.066 -3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.090 -13.370 -6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.900 -10.942 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.305 -13.094 -4.952 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.779 -6.474 -5.984 1.00 0.00 N ATOM 1138 CA ALA A 74 -4.080 -5.740 -6.181 1.00 0.00 C ATOM 1139 C ALA A 74 -4.305 -5.469 -7.674 1.00 0.00 C ATOM 1140 O ALA A 74 -5.406 -5.614 -8.171 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.972 -4.413 -5.412 1.00 0.00 C ATOM 0 H ALA A 74 -2.093 -5.998 -5.398 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.920 -6.330 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.897 -3.848 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.803 -4.618 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.139 -3.831 -5.806 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.273 -5.080 -8.400 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.464 -4.812 -9.877 1.00 0.00 C ATOM 1149 C LEU A 75 -4.028 -6.062 -10.569 1.00 0.00 C ATOM 1150 O LEU A 75 -4.898 -5.964 -11.414 1.00 0.00 O ATOM 1151 CB LEU A 75 -2.083 -4.467 -10.462 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.944 -2.950 -10.593 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.504 -2.604 -10.976 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -2.896 -2.446 -11.682 1.00 0.00 C ATOM 0 H LEU A 75 -2.327 -4.938 -8.047 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.166 -3.992 -10.032 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.296 -4.860 -9.818 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.962 -4.939 -11.437 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.192 -2.476 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.402 -1.523 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.175 -2.967 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.257 -3.076 -11.927 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.799 -1.365 -11.778 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.645 -2.918 -12.632 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.922 -2.696 -11.412 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.548 -7.234 -10.211 1.00 0.00 N ATOM 1167 CA GLU A 76 -4.085 -8.484 -10.858 1.00 0.00 C ATOM 1168 C GLU A 76 -5.534 -8.711 -10.407 1.00 0.00 C ATOM 1169 O GLU A 76 -6.382 -9.075 -11.201 1.00 0.00 O ATOM 1170 CB GLU A 76 -3.191 -9.645 -10.397 1.00 0.00 C ATOM 1171 CG GLU A 76 -1.780 -9.456 -10.957 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.765 -9.829 -12.441 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -2.353 -10.843 -12.781 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.167 -9.096 -13.210 1.00 0.00 O ATOM 0 H GLU A 76 -2.820 -7.380 -9.511 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.079 -8.405 -11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.159 -9.683 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.605 -10.594 -10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.462 -8.422 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.073 -10.078 -10.408 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.830 -8.487 -9.144 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.245 -8.683 -8.667 1.00 0.00 C ATOM 1183 C ALA A 77 -8.159 -7.638 -9.320 1.00 0.00 C ATOM 1184 O ALA A 77 -9.271 -7.945 -9.709 1.00 0.00 O ATOM 1185 CB ALA A 77 -7.233 -8.502 -7.140 1.00 0.00 C ATOM 0 H ALA A 77 -5.166 -8.182 -8.432 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.619 -9.671 -8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.242 -8.636 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.569 -9.241 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.879 -7.501 -6.895 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.700 -6.410 -9.458 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.567 -5.365 -10.108 1.00 0.00 C ATOM 1193 C LEU A 78 -8.843 -5.759 -11.567 1.00 0.00 C ATOM 1194 O LEU A 78 -9.943 -5.587 -12.059 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.791 -4.040 -10.054 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.116 -3.311 -8.749 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -7.094 -2.196 -8.520 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.521 -2.709 -8.838 1.00 0.00 C ATOM 0 H LEU A 78 -6.780 -6.090 -9.155 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.524 -5.271 -9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.720 -4.231 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.056 -3.416 -10.907 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.076 -4.015 -7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.325 -1.676 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.094 -2.626 -8.457 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.133 -1.490 -9.350 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.754 -2.189 -7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.563 -2.004 -9.668 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.248 -3.505 -9.001 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.857 -6.293 -12.266 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.094 -6.699 -13.700 1.00 0.00 C ATOM 1212 C GLN A 79 -9.245 -7.717 -13.793 1.00 0.00 C ATOM 1213 O GLN A 79 -9.971 -7.739 -14.771 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.788 -7.334 -14.204 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.792 -6.230 -14.569 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.368 -6.800 -14.555 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.105 -7.809 -15.180 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.429 -6.198 -13.866 1.00 0.00 N ATOM 0 H GLN A 79 -6.915 -6.463 -11.913 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.372 -5.835 -14.303 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.365 -7.981 -13.435 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.987 -7.961 -15.073 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.024 -5.828 -15.555 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.872 -5.405 -13.861 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.646 -5.351 -13.340 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.482 -6.576 -13.856 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.426 -8.561 -12.794 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.545 -9.564 -12.861 1.00 0.00 C ATOM 1229 C GLN A 80 -11.836 -8.958 -12.293 1.00 0.00 C ATOM 1230 O GLN A 80 -12.909 -9.171 -12.827 1.00 0.00 O ATOM 1231 CB GLN A 80 -10.101 -10.767 -12.017 1.00 0.00 C ATOM 1232 CG GLN A 80 -8.921 -11.463 -12.699 1.00 0.00 C ATOM 1233 CD GLN A 80 -8.392 -12.582 -11.793 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.124 -13.487 -11.446 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -7.145 -12.562 -11.388 1.00 0.00 N ATOM 0 H GLN A 80 -8.856 -8.598 -11.949 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.750 -9.860 -13.890 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.815 -10.438 -11.018 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.929 -11.466 -11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.234 -11.875 -13.659 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.129 -10.742 -12.904 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.527 -11.804 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.793 -13.305 -10.784 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.747 -8.203 -11.219 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.975 -7.588 -10.633 1.00 0.00 C ATOM 1246 C GLY A 81 -13.040 -7.889 -9.129 1.00 0.00 C ATOM 1247 O GLY A 81 -13.749 -8.782 -8.705 1.00 0.00 O ATOM 0 H GLY A 81 -10.879 -7.990 -10.728 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.967 -6.511 -10.798 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.862 -7.980 -11.130 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.314 -7.149 -8.316 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.347 -7.400 -6.843 1.00 0.00 C ATOM 1253 C GLU A 82 -12.832 -6.143 -6.106 1.00 0.00 C ATOM 1254 O GLU A 82 -13.046 -5.112 -6.716 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.902 -7.723 -6.463 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.687 -9.238 -6.515 1.00 0.00 C ATOM 1257 CD GLU A 82 -11.504 -9.908 -5.409 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -11.020 -9.960 -4.292 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -12.600 -10.356 -5.700 1.00 0.00 O ATOM 0 H GLU A 82 -11.704 -6.387 -8.612 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.027 -8.209 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.215 -7.224 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.685 -7.348 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.987 -9.625 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.629 -9.470 -6.392 1.00 0.00 H new ATOM 1266 N SER A 83 -13.009 -6.212 -4.801 1.00 0.00 N ATOM 1267 CA SER A 83 -13.479 -5.009 -4.048 1.00 0.00 C ATOM 1268 C SER A 83 -12.388 -4.520 -3.083 1.00 0.00 C ATOM 1269 O SER A 83 -11.772 -5.308 -2.390 1.00 0.00 O ATOM 1270 CB SER A 83 -14.707 -5.473 -3.266 1.00 0.00 C ATOM 1271 OG SER A 83 -15.780 -5.705 -4.170 1.00 0.00 O ATOM 0 H SER A 83 -12.848 -7.045 -4.234 1.00 0.00 H new ATOM 0 HA SER A 83 -13.711 -4.179 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.478 -6.385 -2.714 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.991 -4.719 -2.532 1.00 0.00 H new ATOM 0 HG SER A 83 -16.569 -6.004 -3.671 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.147 -3.227 -3.029 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.093 -2.701 -2.097 1.00 0.00 C ATOM 1279 C ALA A 84 -11.723 -2.176 -0.789 1.00 0.00 C ATOM 1280 O ALA A 84 -11.117 -2.263 0.262 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.391 -1.563 -2.854 1.00 0.00 C ATOM 0 H ALA A 84 -12.629 -2.520 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.392 -3.485 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.609 -1.136 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.948 -1.954 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.118 -0.790 -3.104 1.00 0.00 H new ATOM 1287 N GLU A 85 -12.928 -1.630 -0.833 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.562 -1.107 0.436 1.00 0.00 C ATOM 1289 C GLU A 85 -13.620 -2.210 1.506 1.00 0.00 C ATOM 1290 O GLU A 85 -13.423 -1.949 2.678 1.00 0.00 O ATOM 1291 CB GLU A 85 -14.984 -0.654 0.069 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.510 0.302 1.141 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.427 1.341 0.493 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.096 1.805 -0.586 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -17.445 1.655 1.088 1.00 0.00 O ATOM 0 H GLU A 85 -13.491 -1.525 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.979 -0.283 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.980 -0.160 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.642 -1.519 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.055 -0.254 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.678 0.797 1.641 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.888 -3.440 1.117 1.00 0.00 N ATOM 1303 CA ASN A 86 -13.952 -4.551 2.140 1.00 0.00 C ATOM 1304 C ASN A 86 -12.623 -4.647 2.906 1.00 0.00 C ATOM 1305 O ASN A 86 -12.613 -4.900 4.096 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.210 -5.853 1.363 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.683 -5.915 0.941 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.543 -5.411 1.637 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.019 -6.515 -0.174 1.00 0.00 N ATOM 0 H ASN A 86 -14.063 -3.723 0.153 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.741 -4.365 2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.567 -5.898 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.962 -6.714 1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.999 -6.558 -0.455 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.301 -6.939 -0.761 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.502 -4.439 2.243 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.185 -4.518 2.973 1.00 0.00 C ATOM 1318 C ILE A 87 -10.114 -3.409 4.042 1.00 0.00 C ATOM 1319 O ILE A 87 -9.583 -3.621 5.116 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.078 -4.326 1.918 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.169 -5.445 0.872 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.704 -4.377 2.592 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.831 -4.884 -0.511 1.00 0.00 C ATOM 0 H ILE A 87 -11.440 -4.222 1.248 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.068 -5.475 3.481 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.209 -3.358 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.481 -6.251 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.172 -5.871 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.925 -4.241 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.634 -3.583 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.573 -5.343 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.896 -5.680 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.536 -4.093 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.819 -4.479 -0.502 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.645 -2.230 3.765 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.590 -1.130 4.797 1.00 0.00 C ATOM 1337 C VAL A 88 -11.322 -1.568 6.077 1.00 0.00 C ATOM 1338 O VAL A 88 -10.892 -1.251 7.171 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.278 0.103 4.180 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.262 1.262 5.180 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.525 0.524 2.917 1.00 0.00 C ATOM 0 H VAL A 88 -11.105 -1.986 2.888 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.559 -0.901 5.068 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.309 -0.149 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.750 2.131 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.794 0.969 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.231 1.513 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.010 1.396 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.495 0.772 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.533 -0.295 2.198 1.00 0.00 H new ATOM 1351 N SER A 89 -12.419 -2.292 5.959 1.00 0.00 N ATOM 1352 CA SER A 89 -13.155 -2.738 7.203 1.00 0.00 C ATOM 1353 C SER A 89 -12.201 -3.527 8.113 1.00 0.00 C ATOM 1354 O SER A 89 -12.193 -3.342 9.316 1.00 0.00 O ATOM 1355 CB SER A 89 -14.311 -3.637 6.739 1.00 0.00 C ATOM 1356 OG SER A 89 -13.782 -4.833 6.179 1.00 0.00 O ATOM 0 H SER A 89 -12.832 -2.590 5.075 1.00 0.00 H new ATOM 0 HA SER A 89 -13.532 -1.885 7.768 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.963 -3.873 7.580 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.919 -3.114 6.001 1.00 0.00 H new ATOM 0 HG SER A 89 -13.623 -4.703 5.221 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.380 -4.388 7.546 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.411 -5.161 8.402 1.00 0.00 C ATOM 1364 C LYS A 90 -9.340 -4.213 8.966 1.00 0.00 C ATOM 1365 O LYS A 90 -8.881 -4.393 10.078 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.764 -6.223 7.498 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.489 -7.489 8.312 1.00 0.00 C ATOM 1368 CD LYS A 90 -8.760 -8.511 7.437 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.778 -9.269 6.581 1.00 0.00 C ATOM 1370 NZ LYS A 90 -8.974 -10.265 5.821 1.00 0.00 N ATOM 0 H LYS A 90 -11.338 -4.587 6.547 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.918 -5.630 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.423 -6.453 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.835 -5.840 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.885 -7.247 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.426 -7.910 8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.035 -8.007 6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.203 -9.209 8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.529 -9.758 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.309 -8.595 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.602 -10.825 5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.272 -9.770 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.485 -10.897 6.487 1.00 0.00 H new ATOM 1384 N ILE A 91 -8.946 -3.194 8.223 1.00 0.00 N ATOM 1385 CA ILE A 91 -7.912 -2.242 8.760 1.00 0.00 C ATOM 1386 C ILE A 91 -8.537 -1.376 9.864 1.00 0.00 C ATOM 1387 O ILE A 91 -7.906 -1.102 10.868 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.446 -1.367 7.578 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -6.846 -2.249 6.470 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.387 -0.372 8.057 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.693 -3.093 7.029 1.00 0.00 C ATOM 0 H ILE A 91 -9.290 -2.985 7.286 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.065 -2.775 9.192 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.306 -0.827 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.616 -2.901 6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.486 -1.624 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.061 0.244 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.811 0.266 8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.533 -0.916 8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.277 -3.713 6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.917 -2.435 7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.065 -3.732 7.830 1.00 0.00 H new ATOM 1403 N ARG A 92 -9.773 -0.951 9.696 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.417 -0.110 10.766 1.00 0.00 C ATOM 1405 C ARG A 92 -10.550 -0.925 12.060 1.00 0.00 C ATOM 1406 O ARG A 92 -10.355 -0.403 13.142 1.00 0.00 O ATOM 1407 CB ARG A 92 -11.804 0.296 10.244 1.00 0.00 C ATOM 1408 CG ARG A 92 -11.685 1.582 9.423 1.00 0.00 C ATOM 1409 CD ARG A 92 -11.965 2.790 10.319 1.00 0.00 C ATOM 1410 NE ARG A 92 -11.753 3.976 9.444 1.00 0.00 N ATOM 1411 CZ ARG A 92 -12.766 4.722 9.098 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -13.484 4.407 8.055 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -13.062 5.785 9.796 1.00 0.00 N ATOM 0 H ARG A 92 -10.355 -1.145 8.881 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.817 0.772 10.988 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.221 -0.502 9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.488 0.447 11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.687 1.659 8.992 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.390 1.562 8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.982 2.764 10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.294 2.808 11.178 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.815 4.205 9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.254 3.577 7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.276 4.991 7.786 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.501 6.032 10.612 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.854 6.368 9.526 1.00 0.00 H new ATOM 1427 N MET A 93 -10.867 -2.202 11.965 1.00 0.00 N ATOM 1428 CA MET A 93 -10.987 -3.028 13.219 1.00 0.00 C ATOM 1429 C MET A 93 -9.592 -3.267 13.809 1.00 0.00 C ATOM 1430 O MET A 93 -9.403 -3.192 15.009 1.00 0.00 O ATOM 1431 CB MET A 93 -11.638 -4.360 12.817 1.00 0.00 C ATOM 1432 CG MET A 93 -11.979 -5.161 14.076 1.00 0.00 C ATOM 1433 SD MET A 93 -12.107 -6.917 13.656 1.00 0.00 S ATOM 1434 CE MET A 93 -11.063 -7.546 14.994 1.00 0.00 C ATOM 0 H MET A 93 -11.045 -2.700 11.092 1.00 0.00 H new ATOM 0 HA MET A 93 -11.589 -2.523 13.974 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.541 -4.175 12.235 1.00 0.00 H new ATOM 0 HB3 MET A 93 -10.961 -4.931 12.182 1.00 0.00 H new ATOM 0 HG2 MET A 93 -11.210 -5.012 14.834 1.00 0.00 H new ATOM 0 HG3 MET A 93 -12.919 -4.808 14.501 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.001 -8.632 14.927 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.064 -7.119 14.907 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.495 -7.266 15.955 1.00 0.00 H new ATOM 1444 N MET A 94 -8.607 -3.535 12.976 1.00 0.00 N ATOM 1445 CA MET A 94 -7.220 -3.754 13.516 1.00 0.00 C ATOM 1446 C MET A 94 -6.648 -2.422 14.020 1.00 0.00 C ATOM 1447 O MET A 94 -5.978 -2.381 15.036 1.00 0.00 O ATOM 1448 CB MET A 94 -6.370 -4.299 12.356 1.00 0.00 C ATOM 1449 CG MET A 94 -4.983 -4.684 12.876 1.00 0.00 C ATOM 1450 SD MET A 94 -3.831 -4.809 11.486 1.00 0.00 S ATOM 1451 CE MET A 94 -3.578 -6.599 11.562 1.00 0.00 C ATOM 0 H MET A 94 -8.700 -3.611 11.963 1.00 0.00 H new ATOM 0 HA MET A 94 -7.224 -4.455 14.351 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.857 -5.167 11.911 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.280 -3.547 11.572 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.630 -3.938 13.589 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.033 -5.634 13.407 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.886 -6.902 10.776 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.164 -6.867 12.534 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.532 -7.108 11.422 1.00 0.00 H new ATOM 1461 N ASN A 95 -6.917 -1.328 13.334 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.385 -0.003 13.816 1.00 0.00 C ATOM 1463 C ASN A 95 -7.106 0.405 15.109 1.00 0.00 C ATOM 1464 O ASN A 95 -6.499 0.956 16.009 1.00 0.00 O ATOM 1465 CB ASN A 95 -6.656 1.025 12.705 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.463 1.062 11.739 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.356 0.158 10.796 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -4.616 1.927 11.844 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.471 -1.294 12.478 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.318 -0.062 14.030 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.566 0.762 12.166 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.817 2.012 13.139 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.696 2.632 12.576 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.826 1.948 11.200 1.00 0.00 H new ATOM 1475 N ALA A 96 -8.393 0.132 15.221 1.00 0.00 N ATOM 1476 CA ALA A 96 -9.122 0.507 16.484 1.00 0.00 C ATOM 1477 C ALA A 96 -8.600 -0.338 17.655 1.00 0.00 C ATOM 1478 O ALA A 96 -8.444 0.158 18.755 1.00 0.00 O ATOM 1479 CB ALA A 96 -10.613 0.221 16.243 1.00 0.00 C ATOM 0 H ALA A 96 -8.960 -0.325 14.507 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.967 1.557 16.732 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.182 0.479 17.136 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.967 0.818 15.402 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.749 -0.837 16.019 1.00 0.00 H new ATOM 1485 N GLN A 97 -8.319 -1.607 17.432 1.00 0.00 N ATOM 1486 CA GLN A 97 -7.796 -2.461 18.558 1.00 0.00 C ATOM 1487 C GLN A 97 -6.438 -1.922 19.028 1.00 0.00 C ATOM 1488 O GLN A 97 -6.166 -1.873 20.213 1.00 0.00 O ATOM 1489 CB GLN A 97 -7.641 -3.886 18.004 1.00 0.00 C ATOM 1490 CG GLN A 97 -7.612 -4.885 19.163 1.00 0.00 C ATOM 1491 CD GLN A 97 -6.901 -6.168 18.717 1.00 0.00 C ATOM 1492 OE1 GLN A 97 -7.486 -6.991 18.041 1.00 0.00 O ATOM 1493 NE2 GLN A 97 -5.655 -6.381 19.065 1.00 0.00 N ATOM 0 H GLN A 97 -8.427 -2.082 16.536 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.475 -2.451 19.410 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.467 -4.118 17.331 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.723 -3.963 17.421 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.096 -4.450 20.019 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.628 -5.113 19.485 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.159 -5.693 19.632 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.181 -7.234 18.768 1.00 0.00 H new ATOM 1502 N SER A 98 -5.584 -1.510 18.113 1.00 0.00 N ATOM 1503 CA SER A 98 -4.243 -0.966 18.538 1.00 0.00 C ATOM 1504 C SER A 98 -4.437 0.268 19.434 1.00 0.00 C ATOM 1505 O SER A 98 -3.707 0.463 20.388 1.00 0.00 O ATOM 1506 CB SER A 98 -3.493 -0.575 17.255 1.00 0.00 C ATOM 1507 OG SER A 98 -2.320 0.150 17.599 1.00 0.00 O ATOM 0 H SER A 98 -5.751 -1.525 17.107 1.00 0.00 H new ATOM 0 HA SER A 98 -3.682 -1.708 19.106 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.229 -1.468 16.688 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.135 0.031 16.615 1.00 0.00 H new ATOM 0 HG SER A 98 -1.839 0.400 16.783 1.00 0.00 H new ATOM 1513 N LEU A 99 -5.413 1.101 19.141 1.00 0.00 N ATOM 1514 CA LEU A 99 -5.646 2.312 19.984 1.00 0.00 C ATOM 1515 C LEU A 99 -7.027 2.241 20.656 1.00 0.00 C ATOM 1516 O LEU A 99 -7.696 3.247 20.802 1.00 0.00 O ATOM 1517 CB LEU A 99 -5.588 3.490 19.009 1.00 0.00 C ATOM 1518 CG LEU A 99 -4.130 3.795 18.663 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -4.056 4.428 17.271 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -3.555 4.769 19.694 1.00 0.00 C ATOM 0 H LEU A 99 -6.054 0.991 18.355 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.910 2.403 20.783 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.146 3.254 18.103 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.058 4.367 19.453 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.554 2.870 18.673 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.017 4.645 17.025 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.466 3.737 16.535 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.632 5.353 17.261 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.516 4.987 19.448 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.132 5.694 19.683 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.607 4.321 20.686 1.00 0.00 H new ATOM 1532 N GLY A 100 -7.464 1.065 21.068 1.00 0.00 N ATOM 1533 CA GLY A 100 -8.799 0.953 21.726 1.00 0.00 C ATOM 1534 C GLY A 100 -8.790 1.739 23.044 1.00 0.00 C ATOM 1535 O GLY A 100 -9.509 2.708 23.196 1.00 0.00 O ATOM 0 H GLY A 100 -6.951 0.188 20.974 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.575 1.340 21.065 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.035 -0.094 21.917 1.00 0.00 H new ATOM 1539 N GLN A 101 -7.978 1.336 24.006 1.00 0.00 N ATOM 1540 CA GLN A 101 -7.925 2.065 25.318 1.00 0.00 C ATOM 1541 C GLN A 101 -9.335 2.215 25.917 1.00 0.00 C ATOM 1542 O GLN A 101 -10.043 3.157 25.614 1.00 0.00 O ATOM 1543 CB GLN A 101 -7.331 3.440 24.994 1.00 0.00 C ATOM 1544 CG GLN A 101 -6.410 3.880 26.134 1.00 0.00 C ATOM 1545 CD GLN A 101 -7.224 4.645 27.184 1.00 0.00 C ATOM 1546 OE1 GLN A 101 -7.804 5.670 26.885 1.00 0.00 O ATOM 1547 NE2 GLN A 101 -7.297 4.191 28.413 1.00 0.00 N ATOM 0 H GLN A 101 -7.352 0.534 23.935 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.329 1.526 26.054 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.773 3.396 24.058 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.129 4.169 24.855 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -5.936 3.010 26.589 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.611 4.512 25.747 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -6.812 3.331 28.669 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.839 4.698 29.113 1.00 0.00 H new ATOM 1556 N SER A 102 -9.753 1.294 26.768 1.00 0.00 N ATOM 1557 CA SER A 102 -11.118 1.387 27.384 1.00 0.00 C ATOM 1558 C SER A 102 -12.198 1.554 26.299 1.00 0.00 C ATOM 1559 O SER A 102 -12.736 2.631 26.118 1.00 0.00 O ATOM 1560 CB SER A 102 -11.071 2.618 28.293 1.00 0.00 C ATOM 1561 OG SER A 102 -12.176 2.586 29.186 1.00 0.00 O ATOM 0 H SER A 102 -9.204 0.485 27.059 1.00 0.00 H new ATOM 0 HA SER A 102 -11.372 0.483 27.938 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.136 2.635 28.854 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.100 3.528 27.694 1.00 0.00 H new ATOM 0 HG SER A 102 -12.147 3.372 29.770 1.00 0.00 H new ATOM 1567 N ASP A 103 -12.519 0.500 25.575 1.00 0.00 N ATOM 1568 CA ASP A 103 -13.560 0.613 24.509 1.00 0.00 C ATOM 1569 C ASP A 103 -14.575 -0.534 24.637 1.00 0.00 C ATOM 1570 O ASP A 103 -14.201 -1.675 24.835 1.00 0.00 O ATOM 1571 CB ASP A 103 -12.792 0.505 23.192 1.00 0.00 C ATOM 1572 CG ASP A 103 -13.688 0.961 22.039 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -14.469 0.151 21.566 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -13.580 2.111 21.648 1.00 0.00 O ATOM 0 H ASP A 103 -12.104 -0.426 25.680 1.00 0.00 H new ATOM 0 HA ASP A 103 -14.122 1.544 24.577 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.892 1.119 23.232 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.469 -0.523 23.031 1.00 0.00 H new ATOM 1579 N ILE A 104 -15.857 -0.246 24.526 1.00 0.00 N ATOM 1580 CA ILE A 104 -16.881 -1.333 24.644 1.00 0.00 C ATOM 1581 C ILE A 104 -18.190 -0.928 23.940 1.00 0.00 C ATOM 1582 O ILE A 104 -19.217 -0.774 24.574 1.00 0.00 O ATOM 1583 CB ILE A 104 -17.096 -1.511 26.154 1.00 0.00 C ATOM 1584 CG1 ILE A 104 -18.102 -2.641 26.400 1.00 0.00 C ATOM 1585 CG2 ILE A 104 -17.629 -0.211 26.768 1.00 0.00 C ATOM 1586 CD1 ILE A 104 -17.350 -3.954 26.625 1.00 0.00 C ATOM 0 H ILE A 104 -16.232 0.688 24.360 1.00 0.00 H new ATOM 0 HA ILE A 104 -16.556 -2.259 24.169 1.00 0.00 H new ATOM 0 HB ILE A 104 -16.143 -1.761 26.620 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -18.719 -2.410 27.268 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -18.774 -2.736 25.547 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -17.778 -0.349 27.839 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -16.910 0.591 26.602 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -18.578 0.050 26.300 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -18.065 -4.758 26.800 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -16.752 -4.186 25.744 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -16.696 -3.855 27.492 1.00 0.00 H new ATOM 1598 N ALA A 105 -18.165 -0.750 22.631 1.00 0.00 N ATOM 1599 CA ALA A 105 -19.409 -0.354 21.889 1.00 0.00 C ATOM 1600 C ALA A 105 -20.044 0.893 22.516 1.00 0.00 C ATOM 1601 O ALA A 105 -21.246 1.050 22.390 1.00 0.00 O ATOM 1602 CB ALA A 105 -20.354 -1.554 22.007 1.00 0.00 C ATOM 1603 OXT ALA A 105 -19.314 1.669 23.112 1.00 0.00 O ATOM 0 H ALA A 105 -17.335 -0.863 22.049 1.00 0.00 H new ATOM 0 HA ALA A 105 -19.194 -0.106 20.850 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -21.286 -1.335 21.486 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -19.886 -2.431 21.560 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -20.563 -1.750 23.059 1.00 0.00 H new TER 1609 ALA A 105