USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 539 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 43 THR OG1 : rot 80:sc= 0.148 USER MOD Set 1.2: A 44 ASN : amide:sc= 0.115 X(o=0.26,f=-0.23) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0588 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.201 K(o=0.2,f=-5.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -84:sc= 0.219 USER MOD Single : A 27 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.392 USER MOD Single : A 47 MET CE :methyl 156:sc= 0 (180deg=-0.251) USER MOD Single : A 57 CYS SG : rot 10:sc= 0.156 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.1 K(o=-0.1,f=-2.3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.0023) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 42.219 -17.199 -10.972 1.00 0.00 N ATOM 2 CA GLY A 1 43.066 -17.629 -9.875 1.00 0.00 C ATOM 3 C GLY A 1 42.317 -18.468 -8.859 1.00 0.00 C ATOM 4 O GLY A 1 41.092 -18.389 -8.761 1.00 0.00 O ATOM 0 H1 GLY A 1 42.549 -17.634 -11.857 1.00 0.00 H new ATOM 0 H2 GLY A 1 41.238 -17.491 -10.788 1.00 0.00 H new ATOM 0 H3 GLY A 1 42.262 -16.163 -11.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 43.903 -18.204 -10.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 43.486 -16.754 -9.380 1.00 0.00 H new ATOM 8 N SER A 2 43.053 -19.275 -8.102 1.00 0.00 N ATOM 9 CA SER A 2 42.450 -20.137 -7.092 1.00 0.00 C ATOM 10 C SER A 2 41.425 -19.368 -6.264 1.00 0.00 C ATOM 11 O SER A 2 40.246 -19.720 -6.233 1.00 0.00 O ATOM 12 CB SER A 2 43.530 -20.718 -6.177 1.00 0.00 C ATOM 13 OG SER A 2 44.296 -21.701 -6.852 1.00 0.00 O ATOM 0 H SER A 2 44.068 -19.350 -8.169 1.00 0.00 H new ATOM 0 HA SER A 2 41.940 -20.953 -7.603 1.00 0.00 H new ATOM 0 HB2 SER A 2 44.184 -19.919 -5.828 1.00 0.00 H new ATOM 0 HB3 SER A 2 43.065 -21.157 -5.294 1.00 0.00 H new ATOM 0 HG SER A 2 44.980 -22.055 -6.246 1.00 0.00 H new ATOM 19 N SER A 3 41.884 -18.316 -5.594 1.00 0.00 N ATOM 20 CA SER A 3 41.009 -17.498 -4.762 1.00 0.00 C ATOM 21 C SER A 3 41.544 -16.074 -4.646 1.00 0.00 C ATOM 22 O SER A 3 42.685 -15.859 -4.239 1.00 0.00 O ATOM 23 CB SER A 3 40.869 -18.118 -3.370 1.00 0.00 C ATOM 24 OG SER A 3 39.953 -17.385 -2.576 1.00 0.00 O ATOM 0 H SER A 3 42.857 -18.010 -5.611 1.00 0.00 H new ATOM 0 HA SER A 3 40.028 -17.461 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 3 40.532 -19.151 -3.460 1.00 0.00 H new ATOM 0 HB3 SER A 3 41.842 -18.142 -2.880 1.00 0.00 H new ATOM 0 HG SER A 3 39.880 -17.802 -1.692 1.00 0.00 H new ATOM 30 N GLY A 4 40.710 -15.104 -5.008 1.00 0.00 N ATOM 31 CA GLY A 4 41.116 -13.713 -4.938 1.00 0.00 C ATOM 32 C GLY A 4 40.918 -13.119 -3.558 1.00 0.00 C ATOM 33 O GLY A 4 40.460 -13.802 -2.641 1.00 0.00 O ATOM 0 H GLY A 4 39.761 -15.257 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 4 42.166 -13.630 -5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 4 40.545 -13.134 -5.664 1.00 0.00 H new ATOM 37 N SER A 5 41.265 -11.845 -3.407 1.00 0.00 N ATOM 38 CA SER A 5 41.127 -11.161 -2.127 1.00 0.00 C ATOM 39 C SER A 5 39.770 -10.473 -2.021 1.00 0.00 C ATOM 40 O SER A 5 39.006 -10.430 -2.986 1.00 0.00 O ATOM 41 CB SER A 5 42.248 -10.135 -1.950 1.00 0.00 C ATOM 42 OG SER A 5 41.974 -8.951 -2.679 1.00 0.00 O ATOM 0 H SER A 5 41.644 -11.265 -4.156 1.00 0.00 H new ATOM 0 HA SER A 5 41.198 -11.907 -1.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 42.364 -9.897 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 5 43.193 -10.562 -2.286 1.00 0.00 H new ATOM 0 HG SER A 5 42.704 -8.310 -2.549 1.00 0.00 H new ATOM 48 N SER A 6 39.476 -9.935 -0.842 1.00 0.00 N ATOM 49 CA SER A 6 38.210 -9.251 -0.607 1.00 0.00 C ATOM 50 C SER A 6 38.419 -7.744 -0.491 1.00 0.00 C ATOM 51 O SER A 6 39.040 -7.264 0.456 1.00 0.00 O ATOM 52 CB SER A 6 37.545 -9.785 0.663 1.00 0.00 C ATOM 53 OG SER A 6 36.931 -11.041 0.428 1.00 0.00 O ATOM 0 H SER A 6 40.098 -9.960 -0.034 1.00 0.00 H new ATOM 0 HA SER A 6 37.558 -9.445 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 6 38.289 -9.883 1.453 1.00 0.00 H new ATOM 0 HB3 SER A 6 36.799 -9.072 1.014 1.00 0.00 H new ATOM 0 HG SER A 6 36.515 -11.362 1.255 1.00 0.00 H new ATOM 59 N GLY A 7 37.895 -7.003 -1.462 1.00 0.00 N ATOM 60 CA GLY A 7 38.035 -5.559 -1.451 1.00 0.00 C ATOM 61 C GLY A 7 36.758 -4.856 -1.035 1.00 0.00 C ATOM 62 O GLY A 7 35.960 -5.401 -0.270 1.00 0.00 O ATOM 0 H GLY A 7 37.376 -7.377 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 7 38.838 -5.280 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 38.327 -5.218 -2.444 1.00 0.00 H new ATOM 66 N THR A 8 36.562 -3.641 -1.538 1.00 0.00 N ATOM 67 CA THR A 8 35.374 -2.861 -1.212 1.00 0.00 C ATOM 68 C THR A 8 34.103 -3.602 -1.611 1.00 0.00 C ATOM 69 O THR A 8 34.092 -4.355 -2.586 1.00 0.00 O ATOM 70 CB THR A 8 35.395 -1.488 -1.910 1.00 0.00 C ATOM 71 OG1 THR A 8 35.431 -1.661 -3.331 1.00 0.00 O ATOM 72 CG2 THR A 8 36.599 -0.672 -1.463 1.00 0.00 C ATOM 0 H THR A 8 37.211 -3.176 -2.173 1.00 0.00 H new ATOM 0 HA THR A 8 35.380 -2.712 -0.132 1.00 0.00 H new ATOM 0 HB THR A 8 34.488 -0.950 -1.633 1.00 0.00 H new ATOM 0 HG1 THR A 8 35.442 -0.783 -3.767 1.00 0.00 H new ATOM 0 HG21 THR A 8 36.593 0.293 -1.969 1.00 0.00 H new ATOM 0 HG22 THR A 8 36.553 -0.517 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 8 37.515 -1.207 -1.714 1.00 0.00 H new ATOM 80 N TYR A 9 33.035 -3.385 -0.853 1.00 0.00 N ATOM 81 CA TYR A 9 31.758 -4.034 -1.127 1.00 0.00 C ATOM 82 C TYR A 9 30.601 -3.055 -0.953 1.00 0.00 C ATOM 83 O TYR A 9 30.635 -2.184 -0.083 1.00 0.00 O ATOM 84 CB TYR A 9 31.566 -5.238 -0.203 1.00 0.00 C ATOM 85 CG TYR A 9 31.083 -4.868 1.181 1.00 0.00 C ATOM 86 CD1 TYR A 9 29.752 -4.541 1.410 1.00 0.00 C ATOM 87 CD2 TYR A 9 31.958 -4.844 2.260 1.00 0.00 C ATOM 88 CE1 TYR A 9 29.307 -4.201 2.673 1.00 0.00 C ATOM 89 CE2 TYR A 9 31.521 -4.508 3.527 1.00 0.00 C ATOM 90 CZ TYR A 9 30.195 -4.187 3.728 1.00 0.00 C ATOM 91 OH TYR A 9 29.756 -3.849 4.988 1.00 0.00 O ATOM 0 H TYR A 9 33.027 -2.765 -0.043 1.00 0.00 H new ATOM 0 HA TYR A 9 31.767 -4.376 -2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 9 30.851 -5.923 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 9 32.511 -5.774 -0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 9 29.053 -4.553 0.586 1.00 0.00 H new ATOM 0 HD2 TYR A 9 32.998 -5.092 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 9 28.269 -3.948 2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 9 32.214 -4.497 4.355 1.00 0.00 H new ATOM 0 HH TYR A 9 30.506 -3.889 5.617 1.00 0.00 H new ATOM 101 N ASP A 10 29.578 -3.205 -1.787 1.00 0.00 N ATOM 102 CA ASP A 10 28.408 -2.336 -1.726 1.00 0.00 C ATOM 103 C ASP A 10 27.215 -3.073 -1.123 1.00 0.00 C ATOM 104 O ASP A 10 27.071 -4.283 -1.293 1.00 0.00 O ATOM 105 CB ASP A 10 28.054 -1.823 -3.122 1.00 0.00 C ATOM 106 CG ASP A 10 27.865 -2.947 -4.122 1.00 0.00 C ATOM 107 OD1 ASP A 10 27.494 -4.062 -3.698 1.00 0.00 O ATOM 108 OD2 ASP A 10 28.088 -2.713 -5.328 1.00 0.00 O ATOM 0 H ASP A 10 29.535 -3.920 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 10 28.649 -1.487 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.140 -1.232 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.843 -1.158 -3.472 1.00 0.00 H new ATOM 113 N GLU A 11 26.364 -2.333 -0.419 1.00 0.00 N ATOM 114 CA GLU A 11 25.185 -2.918 0.210 1.00 0.00 C ATOM 115 C GLU A 11 23.956 -2.043 -0.020 1.00 0.00 C ATOM 116 O GLU A 11 23.964 -0.850 0.283 1.00 0.00 O ATOM 117 CB GLU A 11 25.419 -3.103 1.711 1.00 0.00 C ATOM 118 CG GLU A 11 26.074 -1.905 2.377 1.00 0.00 C ATOM 119 CD GLU A 11 25.942 -1.932 3.887 1.00 0.00 C ATOM 120 OE1 GLU A 11 25.019 -2.609 4.389 1.00 0.00 O ATOM 121 OE2 GLU A 11 26.760 -1.278 4.567 1.00 0.00 O ATOM 0 H GLU A 11 26.468 -1.329 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 11 25.007 -3.892 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 11 24.464 -3.301 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 11 26.045 -3.982 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 11 27.130 -1.878 2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 11 25.624 -0.990 1.993 1.00 0.00 H new ATOM 128 N TYR A 12 22.901 -2.645 -0.558 1.00 0.00 N ATOM 129 CA TYR A 12 21.665 -1.921 -0.831 1.00 0.00 C ATOM 130 C TYR A 12 20.791 -1.845 0.416 1.00 0.00 C ATOM 131 O TYR A 12 20.992 -2.590 1.374 1.00 0.00 O ATOM 132 CB TYR A 12 20.895 -2.597 -1.967 1.00 0.00 C ATOM 133 CG TYR A 12 19.929 -1.675 -2.676 1.00 0.00 C ATOM 134 CD1 TYR A 12 20.340 -0.432 -3.141 1.00 0.00 C ATOM 135 CD2 TYR A 12 18.606 -2.047 -2.880 1.00 0.00 C ATOM 136 CE1 TYR A 12 19.461 0.414 -3.789 1.00 0.00 C ATOM 137 CE2 TYR A 12 17.720 -1.208 -3.529 1.00 0.00 C ATOM 138 CZ TYR A 12 18.152 0.022 -3.981 1.00 0.00 C ATOM 139 OH TYR A 12 17.273 0.861 -4.626 1.00 0.00 O ATOM 0 H TYR A 12 22.877 -3.632 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 12 21.926 -0.906 -1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 12 21.606 -2.992 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 12 20.344 -3.448 -1.566 1.00 0.00 H new ATOM 0 HD1 TYR A 12 21.364 -0.122 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 12 18.264 -3.008 -2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 12 19.797 1.377 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 12 16.695 -1.513 -3.681 1.00 0.00 H new ATOM 0 HH TYR A 12 16.393 0.434 -4.680 1.00 0.00 H new ATOM 149 N GLU A 13 19.819 -0.938 0.396 1.00 0.00 N ATOM 150 CA GLU A 13 18.914 -0.763 1.525 1.00 0.00 C ATOM 151 C GLU A 13 17.681 0.038 1.115 1.00 0.00 C ATOM 152 O GLU A 13 17.752 1.251 0.925 1.00 0.00 O ATOM 153 CB GLU A 13 19.632 -0.060 2.679 1.00 0.00 C ATOM 154 CG GLU A 13 19.055 -0.389 4.046 1.00 0.00 C ATOM 155 CD GLU A 13 20.043 -0.146 5.170 1.00 0.00 C ATOM 156 OE1 GLU A 13 20.974 0.663 4.976 1.00 0.00 O ATOM 157 OE2 GLU A 13 19.885 -0.764 6.243 1.00 0.00 O ATOM 0 H GLU A 13 19.639 -0.313 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 13 18.591 -1.750 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 13 20.686 -0.337 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.583 1.018 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.163 0.214 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.741 -1.433 4.062 1.00 0.00 H new ATOM 164 N ASN A 14 16.553 -0.652 0.981 1.00 0.00 N ATOM 165 CA ASN A 14 15.304 -0.006 0.593 1.00 0.00 C ATOM 166 C ASN A 14 14.246 -0.168 1.681 1.00 0.00 C ATOM 167 O ASN A 14 14.431 -0.928 2.632 1.00 0.00 O ATOM 168 CB ASN A 14 14.791 -0.591 -0.724 1.00 0.00 C ATOM 169 CG ASN A 14 14.482 -2.071 -0.618 1.00 0.00 C ATOM 170 OD1 ASN A 14 15.102 -2.792 0.164 1.00 0.00 O ATOM 171 ND2 ASN A 14 13.517 -2.532 -1.406 1.00 0.00 N ATOM 0 H ASN A 14 16.478 -1.657 1.135 1.00 0.00 H new ATOM 0 HA ASN A 14 15.501 1.058 0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.892 -0.056 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 14 15.537 -0.433 -1.503 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.264 -3.520 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.029 -1.898 -2.039 1.00 0.00 H new ATOM 178 N ASP A 15 13.139 0.549 1.533 1.00 0.00 N ATOM 179 CA ASP A 15 12.050 0.484 2.501 1.00 0.00 C ATOM 180 C ASP A 15 10.699 0.646 1.811 1.00 0.00 C ATOM 181 O ASP A 15 10.569 1.401 0.846 1.00 0.00 O ATOM 182 CB ASP A 15 12.224 1.564 3.570 1.00 0.00 C ATOM 183 CG ASP A 15 12.377 2.949 2.974 1.00 0.00 C ATOM 184 OD1 ASP A 15 11.356 3.524 2.542 1.00 0.00 O ATOM 185 OD2 ASP A 15 13.517 3.458 2.939 1.00 0.00 O ATOM 0 H ASP A 15 12.971 1.183 0.752 1.00 0.00 H new ATOM 0 HA ASP A 15 12.079 -0.496 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.363 1.552 4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.100 1.334 4.176 1.00 0.00 H new ATOM 190 N LEU A 16 9.696 -0.066 2.311 1.00 0.00 N ATOM 191 CA LEU A 16 8.354 -0.002 1.743 1.00 0.00 C ATOM 192 C LEU A 16 7.388 0.685 2.703 1.00 0.00 C ATOM 193 O LEU A 16 6.172 0.553 2.577 1.00 0.00 O ATOM 194 CB LEU A 16 7.850 -1.409 1.415 1.00 0.00 C ATOM 195 CG LEU A 16 8.785 -2.278 0.575 1.00 0.00 C ATOM 196 CD1 LEU A 16 8.376 -3.740 0.660 1.00 0.00 C ATOM 197 CD2 LEU A 16 8.793 -1.808 -0.873 1.00 0.00 C ATOM 0 H LEU A 16 9.786 -0.695 3.109 1.00 0.00 H new ATOM 0 HA LEU A 16 8.403 0.584 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.648 -1.928 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.900 -1.319 0.889 1.00 0.00 H new ATOM 0 HG LEU A 16 9.795 -2.181 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.053 -4.343 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.423 -4.071 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.358 -3.855 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.464 -2.438 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.785 -1.875 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.135 -0.774 -0.918 1.00 0.00 H new ATOM 209 N GLY A 17 7.940 1.423 3.662 1.00 0.00 N ATOM 210 CA GLY A 17 7.113 2.122 4.628 1.00 0.00 C ATOM 211 C GLY A 17 5.884 1.328 5.023 1.00 0.00 C ATOM 212 O GLY A 17 5.976 0.136 5.318 1.00 0.00 O ATOM 0 H GLY A 17 8.944 1.549 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.704 2.338 5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.804 3.080 4.211 1.00 0.00 H new ATOM 216 N ILE A 18 4.732 1.988 5.030 1.00 0.00 N ATOM 217 CA ILE A 18 3.480 1.336 5.392 1.00 0.00 C ATOM 218 C ILE A 18 2.857 0.635 4.190 1.00 0.00 C ATOM 219 O ILE A 18 2.847 1.171 3.081 1.00 0.00 O ATOM 220 CB ILE A 18 2.466 2.342 5.968 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.033 3.009 7.223 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.149 1.647 6.280 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.366 4.323 7.563 1.00 0.00 C ATOM 0 H ILE A 18 4.639 2.975 4.789 1.00 0.00 H new ATOM 0 HA ILE A 18 3.720 0.597 6.156 1.00 0.00 H new ATOM 0 HB ILE A 18 2.279 3.114 5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.926 2.327 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.101 3.178 7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.443 2.371 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.740 1.215 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.319 0.857 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.818 4.738 8.463 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.496 5.021 6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.302 4.157 7.735 1.00 0.00 H new ATOM 235 N THR A 19 2.334 -0.566 4.416 1.00 0.00 N ATOM 236 CA THR A 19 1.708 -1.340 3.352 1.00 0.00 C ATOM 237 C THR A 19 0.292 -1.755 3.734 1.00 0.00 C ATOM 238 O THR A 19 -0.027 -1.894 4.914 1.00 0.00 O ATOM 239 CB THR A 19 2.527 -2.600 3.017 1.00 0.00 C ATOM 240 OG1 THR A 19 2.799 -3.340 4.212 1.00 0.00 O ATOM 241 CG2 THR A 19 3.836 -2.230 2.335 1.00 0.00 C ATOM 0 H THR A 19 2.332 -1.024 5.327 1.00 0.00 H new ATOM 0 HA THR A 19 1.671 -0.696 2.473 1.00 0.00 H new ATOM 0 HB THR A 19 1.941 -3.216 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.319 -4.141 3.990 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.397 -3.137 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.625 -1.693 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.425 -1.595 2.997 1.00 0.00 H new ATOM 249 N ALA A 20 -0.554 -1.952 2.728 1.00 0.00 N ATOM 250 CA ALA A 20 -1.936 -2.355 2.960 1.00 0.00 C ATOM 251 C ALA A 20 -2.439 -3.261 1.841 1.00 0.00 C ATOM 252 O ALA A 20 -1.873 -3.286 0.748 1.00 0.00 O ATOM 253 CB ALA A 20 -2.828 -1.129 3.090 1.00 0.00 C ATOM 0 H ALA A 20 -0.307 -1.839 1.745 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.973 -2.919 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.857 -1.444 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.489 -0.520 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.777 -0.543 2.172 1.00 0.00 H new ATOM 259 N VAL A 21 -3.504 -4.004 2.121 1.00 0.00 N ATOM 260 CA VAL A 21 -4.084 -4.911 1.138 1.00 0.00 C ATOM 261 C VAL A 21 -5.535 -4.549 0.844 1.00 0.00 C ATOM 262 O VAL A 21 -6.366 -4.490 1.749 1.00 0.00 O ATOM 263 CB VAL A 21 -4.018 -6.374 1.617 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.787 -6.545 2.918 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.554 -7.310 0.544 1.00 0.00 C ATOM 0 H VAL A 21 -3.983 -3.996 3.021 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.496 -4.808 0.226 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.975 -6.631 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.729 -7.584 3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.353 -5.902 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.830 -6.271 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.500 -8.339 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.591 -7.056 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.956 -7.207 -0.361 1.00 0.00 H new ATOM 275 N ALA A 22 -5.833 -4.308 -0.429 1.00 0.00 N ATOM 276 CA ALA A 22 -7.185 -3.954 -0.843 1.00 0.00 C ATOM 277 C ALA A 22 -8.181 -5.040 -0.451 1.00 0.00 C ATOM 278 O ALA A 22 -7.858 -6.228 -0.465 1.00 0.00 O ATOM 279 CB ALA A 22 -7.230 -3.712 -2.344 1.00 0.00 C ATOM 0 H ALA A 22 -5.156 -4.352 -1.191 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.467 -3.035 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.245 -3.448 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.554 -2.897 -2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.923 -4.617 -2.868 1.00 0.00 H new ATOM 285 N LEU A 23 -9.394 -4.625 -0.100 1.00 0.00 N ATOM 286 CA LEU A 23 -10.438 -5.563 0.297 1.00 0.00 C ATOM 287 C LEU A 23 -11.473 -5.727 -0.811 1.00 0.00 C ATOM 288 O LEU A 23 -12.067 -6.794 -0.968 1.00 0.00 O ATOM 289 CB LEU A 23 -11.120 -5.083 1.580 1.00 0.00 C ATOM 290 CG LEU A 23 -10.199 -4.830 2.774 1.00 0.00 C ATOM 291 CD1 LEU A 23 -10.973 -4.192 3.918 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.545 -6.126 3.228 1.00 0.00 C ATOM 0 H LEU A 23 -9.678 -3.646 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.972 -6.531 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.657 -4.161 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.865 -5.824 1.871 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.414 -4.141 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.302 -4.019 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.393 -3.242 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.779 -4.857 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.893 -5.926 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.315 -6.839 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.957 -6.543 2.410 1.00 0.00 H new ATOM 304 N TYR A 24 -11.683 -4.663 -1.580 1.00 0.00 N ATOM 305 CA TYR A 24 -12.646 -4.689 -2.674 1.00 0.00 C ATOM 306 C TYR A 24 -12.162 -3.841 -3.846 1.00 0.00 C ATOM 307 O TYR A 24 -11.315 -2.962 -3.683 1.00 0.00 O ATOM 308 CB TYR A 24 -14.009 -4.186 -2.194 1.00 0.00 C ATOM 309 CG TYR A 24 -14.396 -4.700 -0.825 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.861 -4.136 0.327 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.296 -5.749 -0.684 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.211 -4.602 1.579 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.653 -6.220 0.564 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.108 -5.644 1.693 1.00 0.00 C ATOM 315 OH TYR A 24 -15.460 -6.112 2.938 1.00 0.00 O ATOM 0 H TYR A 24 -11.199 -3.773 -1.465 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.746 -5.720 -3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.998 -3.096 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.771 -4.484 -2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.160 -3.319 0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.724 -6.204 -1.565 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.785 -4.153 2.464 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.355 -7.035 0.656 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.101 -6.847 2.842 1.00 0.00 H new ATOM 325 N ASP A 25 -12.707 -4.110 -5.027 1.00 0.00 N ATOM 326 CA ASP A 25 -12.334 -3.371 -6.228 1.00 0.00 C ATOM 327 C ASP A 25 -12.748 -1.907 -6.116 1.00 0.00 C ATOM 328 O ASP A 25 -13.908 -1.599 -5.840 1.00 0.00 O ATOM 329 CB ASP A 25 -12.978 -4.003 -7.462 1.00 0.00 C ATOM 330 CG ASP A 25 -14.482 -4.137 -7.327 1.00 0.00 C ATOM 331 OD1 ASP A 25 -15.185 -3.119 -7.498 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.956 -5.258 -7.049 1.00 0.00 O ATOM 0 H ASP A 25 -13.409 -4.834 -5.179 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.250 -3.416 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.748 -3.398 -8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.542 -4.988 -7.631 1.00 0.00 H new ATOM 337 N TYR A 26 -11.793 -1.009 -6.330 1.00 0.00 N ATOM 338 CA TYR A 26 -12.057 0.422 -6.249 1.00 0.00 C ATOM 339 C TYR A 26 -11.735 1.111 -7.572 1.00 0.00 C ATOM 340 O TYR A 26 -10.797 0.728 -8.270 1.00 0.00 O ATOM 341 CB TYR A 26 -11.238 1.051 -5.121 1.00 0.00 C ATOM 342 CG TYR A 26 -11.747 2.407 -4.686 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.306 3.569 -5.308 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.670 2.526 -3.654 1.00 0.00 C ATOM 345 CE1 TYR A 26 -11.768 4.809 -4.913 1.00 0.00 C ATOM 346 CE2 TYR A 26 -13.138 3.762 -3.254 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.684 4.901 -3.886 1.00 0.00 C ATOM 348 OH TYR A 26 -13.148 6.135 -3.491 1.00 0.00 O ATOM 0 H TYR A 26 -10.829 -1.247 -6.561 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.118 0.558 -6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.241 0.379 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.202 1.148 -5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.590 3.501 -6.114 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -13.027 1.637 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.414 5.702 -5.406 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.856 3.837 -2.450 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.517 6.534 -2.856 1.00 0.00 H new ATOM 358 N GLN A 27 -12.520 2.130 -7.908 1.00 0.00 N ATOM 359 CA GLN A 27 -12.318 2.872 -9.146 1.00 0.00 C ATOM 360 C GLN A 27 -12.264 4.373 -8.878 1.00 0.00 C ATOM 361 O GLN A 27 -13.298 5.031 -8.766 1.00 0.00 O ATOM 362 CB GLN A 27 -13.438 2.560 -10.141 1.00 0.00 C ATOM 363 CG GLN A 27 -13.570 1.080 -10.462 1.00 0.00 C ATOM 364 CD GLN A 27 -14.407 0.334 -9.441 1.00 0.00 C ATOM 365 OE1 GLN A 27 -15.151 0.940 -8.669 1.00 0.00 O ATOM 366 NE2 GLN A 27 -14.289 -0.989 -9.432 1.00 0.00 N ATOM 0 H GLN A 27 -13.301 2.460 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.364 2.563 -9.574 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.383 2.922 -9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.256 3.109 -11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.019 0.965 -11.448 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.577 0.632 -10.509 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.660 -1.449 -10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.827 -1.545 -8.767 1.00 0.00 H new ATOM 375 N ALA A 28 -11.051 4.907 -8.776 1.00 0.00 N ATOM 376 CA ALA A 28 -10.863 6.330 -8.523 1.00 0.00 C ATOM 377 C ALA A 28 -11.847 7.167 -9.333 1.00 0.00 C ATOM 378 O ALA A 28 -11.951 7.016 -10.550 1.00 0.00 O ATOM 379 CB ALA A 28 -9.432 6.738 -8.844 1.00 0.00 C ATOM 0 H ALA A 28 -10.185 4.376 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.054 6.514 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.305 7.803 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.743 6.171 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.222 6.532 -9.894 1.00 0.00 H new ATOM 385 N ALA A 29 -12.569 8.050 -8.649 1.00 0.00 N ATOM 386 CA ALA A 29 -13.544 8.911 -9.306 1.00 0.00 C ATOM 387 C ALA A 29 -12.865 9.862 -10.286 1.00 0.00 C ATOM 388 O ALA A 29 -13.403 10.158 -11.352 1.00 0.00 O ATOM 389 CB ALA A 29 -14.337 9.696 -8.270 1.00 0.00 C ATOM 0 H ALA A 29 -12.496 8.187 -7.641 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.229 8.278 -9.870 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.062 10.335 -8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.861 9.003 -7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.657 10.312 -7.682 1.00 0.00 H new ATOM 395 N GLY A 30 -11.680 10.338 -9.917 1.00 0.00 N ATOM 396 CA GLY A 30 -10.947 11.251 -10.775 1.00 0.00 C ATOM 397 C GLY A 30 -9.497 10.845 -10.950 1.00 0.00 C ATOM 398 O GLY A 30 -9.140 9.686 -10.739 1.00 0.00 O ATOM 0 H GLY A 30 -11.214 10.108 -9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.430 11.293 -11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.991 12.255 -10.354 1.00 0.00 H new ATOM 402 N ASP A 31 -8.660 11.800 -11.338 1.00 0.00 N ATOM 403 CA ASP A 31 -7.240 11.536 -11.543 1.00 0.00 C ATOM 404 C ASP A 31 -6.496 11.507 -10.211 1.00 0.00 C ATOM 405 O ASP A 31 -5.622 10.668 -9.996 1.00 0.00 O ATOM 406 CB ASP A 31 -6.629 12.597 -12.460 1.00 0.00 C ATOM 407 CG ASP A 31 -6.790 12.254 -13.928 1.00 0.00 C ATOM 408 OD1 ASP A 31 -6.825 11.050 -14.255 1.00 0.00 O ATOM 409 OD2 ASP A 31 -6.879 13.190 -14.750 1.00 0.00 O ATOM 0 H ASP A 31 -8.940 12.764 -11.517 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.141 10.559 -12.016 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.099 13.560 -12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.569 12.706 -12.229 1.00 0.00 H new ATOM 414 N ASP A 32 -6.848 12.430 -9.323 1.00 0.00 N ATOM 415 CA ASP A 32 -6.213 12.511 -8.012 1.00 0.00 C ATOM 416 C ASP A 32 -6.227 11.153 -7.317 1.00 0.00 C ATOM 417 O ASP A 32 -5.205 10.695 -6.808 1.00 0.00 O ATOM 418 CB ASP A 32 -6.921 13.551 -7.142 1.00 0.00 C ATOM 419 CG ASP A 32 -7.046 14.895 -7.833 1.00 0.00 C ATOM 420 OD1 ASP A 32 -7.758 14.972 -8.856 1.00 0.00 O ATOM 421 OD2 ASP A 32 -6.433 15.869 -7.349 1.00 0.00 O ATOM 0 H ASP A 32 -7.569 13.133 -9.487 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.176 12.815 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.914 13.186 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.371 13.675 -6.209 1.00 0.00 H new ATOM 426 N GLU A 33 -7.394 10.516 -7.299 1.00 0.00 N ATOM 427 CA GLU A 33 -7.541 9.211 -6.664 1.00 0.00 C ATOM 428 C GLU A 33 -6.964 8.108 -7.547 1.00 0.00 C ATOM 429 O GLU A 33 -6.834 8.274 -8.760 1.00 0.00 O ATOM 430 CB GLU A 33 -9.015 8.925 -6.370 1.00 0.00 C ATOM 431 CG GLU A 33 -9.617 9.848 -5.324 1.00 0.00 C ATOM 432 CD GLU A 33 -11.130 9.760 -5.269 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.651 8.642 -5.076 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.792 10.808 -5.420 1.00 0.00 O ATOM 0 H GLU A 33 -8.250 10.882 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.987 9.228 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.585 9.016 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.116 7.893 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.207 9.599 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.324 10.875 -5.540 1.00 0.00 H new ATOM 441 N ILE A 34 -6.618 6.984 -6.929 1.00 0.00 N ATOM 442 CA ILE A 34 -6.056 5.854 -7.658 1.00 0.00 C ATOM 443 C ILE A 34 -6.992 4.651 -7.616 1.00 0.00 C ATOM 444 O ILE A 34 -7.762 4.484 -6.670 1.00 0.00 O ATOM 445 CB ILE A 34 -4.685 5.443 -7.088 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.782 5.219 -5.578 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.640 6.503 -7.406 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.577 4.517 -4.993 1.00 0.00 C ATOM 0 H ILE A 34 -6.717 6.832 -5.925 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.930 6.177 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.379 4.507 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.907 6.182 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.675 4.632 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.677 6.199 -6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.555 6.618 -8.487 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.939 7.453 -6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.715 4.392 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.463 3.539 -5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.683 5.114 -5.177 1.00 0.00 H new ATOM 460 N SER A 35 -6.920 3.815 -8.647 1.00 0.00 N ATOM 461 CA SER A 35 -7.763 2.628 -8.729 1.00 0.00 C ATOM 462 C SER A 35 -6.921 1.358 -8.650 1.00 0.00 C ATOM 463 O SER A 35 -5.925 1.215 -9.359 1.00 0.00 O ATOM 464 CB SER A 35 -8.570 2.639 -10.028 1.00 0.00 C ATOM 465 OG SER A 35 -8.934 3.960 -10.391 1.00 0.00 O ATOM 0 H SER A 35 -6.287 3.938 -9.437 1.00 0.00 H new ATOM 0 HA SER A 35 -8.450 2.641 -7.883 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.984 2.187 -10.828 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.467 2.031 -9.908 1.00 0.00 H new ATOM 0 HG SER A 35 -9.448 3.940 -11.225 1.00 0.00 H new ATOM 471 N PHE A 36 -7.330 0.438 -7.783 1.00 0.00 N ATOM 472 CA PHE A 36 -6.614 -0.821 -7.610 1.00 0.00 C ATOM 473 C PHE A 36 -7.588 -1.993 -7.526 1.00 0.00 C ATOM 474 O PHE A 36 -8.790 -1.803 -7.339 1.00 0.00 O ATOM 475 CB PHE A 36 -5.749 -0.771 -6.349 1.00 0.00 C ATOM 476 CG PHE A 36 -6.320 0.097 -5.264 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.506 -0.248 -4.636 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.671 1.256 -4.872 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.035 0.549 -3.638 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.194 2.057 -3.874 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.377 1.702 -3.256 1.00 0.00 C ATOM 0 H PHE A 36 -8.153 0.540 -7.189 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.971 -0.967 -8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.622 -1.783 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.757 -0.404 -6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.023 -1.150 -4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.745 1.537 -5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.961 0.271 -3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.678 2.959 -3.578 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.787 2.325 -2.475 1.00 0.00 H new ATOM 491 N ASP A 37 -7.060 -3.204 -7.667 1.00 0.00 N ATOM 492 CA ASP A 37 -7.880 -4.408 -7.607 1.00 0.00 C ATOM 493 C ASP A 37 -8.006 -4.908 -6.171 1.00 0.00 C ATOM 494 O ASP A 37 -7.233 -4.536 -5.288 1.00 0.00 O ATOM 495 CB ASP A 37 -7.283 -5.503 -8.491 1.00 0.00 C ATOM 496 CG ASP A 37 -5.781 -5.367 -8.646 1.00 0.00 C ATOM 497 OD1 ASP A 37 -5.097 -5.137 -7.626 1.00 0.00 O ATOM 498 OD2 ASP A 37 -5.289 -5.491 -9.787 1.00 0.00 O ATOM 0 H ASP A 37 -6.067 -3.378 -7.824 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.875 -4.159 -7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.514 -6.478 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.752 -5.468 -9.475 1.00 0.00 H new ATOM 503 N PRO A 38 -9.004 -5.772 -5.930 1.00 0.00 N ATOM 504 CA PRO A 38 -9.256 -6.341 -4.603 1.00 0.00 C ATOM 505 C PRO A 38 -8.171 -7.326 -4.180 1.00 0.00 C ATOM 506 O PRO A 38 -7.727 -8.155 -4.975 1.00 0.00 O ATOM 507 CB PRO A 38 -10.595 -7.063 -4.775 1.00 0.00 C ATOM 508 CG PRO A 38 -10.670 -7.382 -6.228 1.00 0.00 C ATOM 509 CD PRO A 38 -9.964 -6.259 -6.936 1.00 0.00 C ATOM 0 HA PRO A 38 -9.265 -5.576 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.638 -7.968 -4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.428 -6.432 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.194 -8.339 -6.442 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.706 -7.461 -6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.460 -6.606 -7.838 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.659 -5.476 -7.241 1.00 0.00 H new ATOM 517 N ASP A 39 -7.748 -7.229 -2.925 1.00 0.00 N ATOM 518 CA ASP A 39 -6.715 -8.113 -2.395 1.00 0.00 C ATOM 519 C ASP A 39 -5.366 -7.820 -3.043 1.00 0.00 C ATOM 520 O ASP A 39 -4.553 -8.723 -3.242 1.00 0.00 O ATOM 521 CB ASP A 39 -7.099 -9.575 -2.625 1.00 0.00 C ATOM 522 CG ASP A 39 -8.495 -9.893 -2.125 1.00 0.00 C ATOM 523 OD1 ASP A 39 -8.709 -9.846 -0.895 1.00 0.00 O ATOM 524 OD2 ASP A 39 -9.372 -10.189 -2.963 1.00 0.00 O ATOM 0 H ASP A 39 -8.104 -6.547 -2.255 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.630 -7.932 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.037 -9.801 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.380 -10.220 -2.120 1.00 0.00 H new ATOM 529 N ASP A 40 -5.134 -6.554 -3.371 1.00 0.00 N ATOM 530 CA ASP A 40 -3.883 -6.142 -3.996 1.00 0.00 C ATOM 531 C ASP A 40 -2.854 -5.745 -2.943 1.00 0.00 C ATOM 532 O ASP A 40 -3.150 -5.727 -1.748 1.00 0.00 O ATOM 533 CB ASP A 40 -4.127 -4.975 -4.955 1.00 0.00 C ATOM 534 CG ASP A 40 -3.097 -4.914 -6.066 1.00 0.00 C ATOM 535 OD1 ASP A 40 -2.960 -5.912 -6.804 1.00 0.00 O ATOM 536 OD2 ASP A 40 -2.430 -3.867 -6.198 1.00 0.00 O ATOM 0 H ASP A 40 -5.797 -5.795 -3.214 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.491 -6.989 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.122 -5.068 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.110 -4.039 -4.396 1.00 0.00 H new ATOM 541 N ILE A 41 -1.645 -5.428 -3.394 1.00 0.00 N ATOM 542 CA ILE A 41 -0.572 -5.032 -2.491 1.00 0.00 C ATOM 543 C ILE A 41 -0.129 -3.598 -2.760 1.00 0.00 C ATOM 544 O ILE A 41 0.128 -3.221 -3.904 1.00 0.00 O ATOM 545 CB ILE A 41 0.645 -5.966 -2.617 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.230 -7.417 -2.366 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.738 -5.547 -1.646 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.313 -7.659 -0.975 1.00 0.00 C ATOM 0 H ILE A 41 -1.384 -5.438 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.970 -5.103 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 41 1.038 -5.890 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.527 -7.701 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.091 -8.066 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.591 -6.217 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.050 -4.526 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.357 -5.597 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.587 -8.709 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.449 -7.406 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.193 -7.036 -0.815 1.00 0.00 H new ATOM 560 N ILE A 42 -0.038 -2.803 -1.699 1.00 0.00 N ATOM 561 CA ILE A 42 0.378 -1.411 -1.821 1.00 0.00 C ATOM 562 C ILE A 42 1.553 -1.106 -0.898 1.00 0.00 C ATOM 563 O ILE A 42 1.665 -1.670 0.191 1.00 0.00 O ATOM 564 CB ILE A 42 -0.779 -0.448 -1.497 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.886 -0.573 -2.546 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.271 0.985 -1.424 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.920 -1.625 -2.211 1.00 0.00 C ATOM 0 H ILE A 42 -0.247 -3.099 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 42 0.684 -1.262 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.193 -0.717 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.383 0.391 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.437 -0.811 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.100 1.654 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.485 1.064 -0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.166 1.265 -2.382 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.673 -1.658 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.436 -2.598 -2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.397 -1.378 -1.262 1.00 0.00 H new ATOM 579 N THR A 43 2.427 -0.207 -1.340 1.00 0.00 N ATOM 580 CA THR A 43 3.594 0.174 -0.554 1.00 0.00 C ATOM 581 C THR A 43 3.820 1.681 -0.603 1.00 0.00 C ATOM 582 O THR A 43 3.333 2.362 -1.504 1.00 0.00 O ATOM 583 CB THR A 43 4.864 -0.541 -1.051 1.00 0.00 C ATOM 584 OG1 THR A 43 5.153 -0.148 -2.398 1.00 0.00 O ATOM 585 CG2 THR A 43 4.697 -2.051 -0.984 1.00 0.00 C ATOM 0 H THR A 43 2.349 0.271 -2.238 1.00 0.00 H new ATOM 0 HA THR A 43 3.396 -0.128 0.474 1.00 0.00 H new ATOM 0 HB THR A 43 5.692 -0.254 -0.403 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.604 0.722 -2.395 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.607 -2.534 -1.340 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.507 -2.351 0.047 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.857 -2.352 -1.610 1.00 0.00 H new ATOM 593 N ASN A 44 4.564 2.195 0.371 1.00 0.00 N ATOM 594 CA ASN A 44 4.855 3.622 0.439 1.00 0.00 C ATOM 595 C ASN A 44 3.589 4.423 0.725 1.00 0.00 C ATOM 596 O ASN A 44 3.382 5.498 0.161 1.00 0.00 O ATOM 597 CB ASN A 44 5.488 4.097 -0.871 1.00 0.00 C ATOM 598 CG ASN A 44 6.632 3.208 -1.316 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.618 2.666 -2.422 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.631 3.053 -0.455 1.00 0.00 N ATOM 0 H ASN A 44 4.976 1.644 1.124 1.00 0.00 H new ATOM 0 HA ASN A 44 5.558 3.786 1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.727 4.122 -1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.851 5.117 -0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.428 2.466 -0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.601 3.521 0.451 1.00 0.00 H new ATOM 607 N ILE A 45 2.746 3.892 1.604 1.00 0.00 N ATOM 608 CA ILE A 45 1.501 4.558 1.967 1.00 0.00 C ATOM 609 C ILE A 45 1.766 5.793 2.821 1.00 0.00 C ATOM 610 O ILE A 45 2.761 5.858 3.543 1.00 0.00 O ATOM 611 CB ILE A 45 0.558 3.611 2.732 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.132 2.446 1.836 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.659 4.371 3.238 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.636 1.369 2.570 1.00 0.00 C ATOM 0 H ILE A 45 2.902 3.002 2.078 1.00 0.00 H new ATOM 0 HA ILE A 45 1.022 4.860 1.036 1.00 0.00 H new ATOM 0 HB ILE A 45 1.092 3.206 3.592 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.484 2.830 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.019 2.004 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.316 3.688 3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.337 5.169 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.197 4.801 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.906 0.575 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.015 0.958 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.541 1.797 3.000 1.00 0.00 H new ATOM 626 N GLU A 46 0.869 6.770 2.734 1.00 0.00 N ATOM 627 CA GLU A 46 1.007 8.003 3.501 1.00 0.00 C ATOM 628 C GLU A 46 -0.297 8.347 4.216 1.00 0.00 C ATOM 629 O GLU A 46 -1.362 8.387 3.602 1.00 0.00 O ATOM 630 CB GLU A 46 1.418 9.157 2.583 1.00 0.00 C ATOM 631 CG GLU A 46 2.887 9.134 2.198 1.00 0.00 C ATOM 632 CD GLU A 46 3.806 9.084 3.403 1.00 0.00 C ATOM 633 OE1 GLU A 46 3.573 9.853 4.359 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.758 8.275 3.392 1.00 0.00 O ATOM 0 H GLU A 46 0.040 6.732 2.141 1.00 0.00 H new ATOM 0 HA GLU A 46 1.783 7.850 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.813 9.123 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.196 10.102 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.079 8.269 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.118 10.020 1.607 1.00 0.00 H new ATOM 641 N MET A 47 -0.202 8.594 5.518 1.00 0.00 N ATOM 642 CA MET A 47 -1.373 8.936 6.318 1.00 0.00 C ATOM 643 C MET A 47 -1.574 10.447 6.370 1.00 0.00 C ATOM 644 O MET A 47 -0.892 11.148 7.117 1.00 0.00 O ATOM 645 CB MET A 47 -1.229 8.380 7.736 1.00 0.00 C ATOM 646 CG MET A 47 -1.152 6.863 7.789 1.00 0.00 C ATOM 647 SD MET A 47 -1.170 6.225 9.475 1.00 0.00 S ATOM 648 CE MET A 47 -1.494 4.489 9.177 1.00 0.00 C ATOM 0 H MET A 47 0.673 8.564 6.042 1.00 0.00 H new ATOM 0 HA MET A 47 -2.247 8.487 5.847 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.331 8.797 8.192 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.076 8.714 8.336 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.991 6.441 7.236 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.242 6.532 7.289 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.126 3.901 10.017 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.567 4.333 9.067 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.987 4.176 8.265 1.00 0.00 H new ATOM 658 N ILE A 48 -2.514 10.942 5.571 1.00 0.00 N ATOM 659 CA ILE A 48 -2.804 12.370 5.528 1.00 0.00 C ATOM 660 C ILE A 48 -4.080 12.695 6.298 1.00 0.00 C ATOM 661 O ILE A 48 -4.053 13.443 7.275 1.00 0.00 O ATOM 662 CB ILE A 48 -2.951 12.870 4.079 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.667 12.604 3.291 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.292 14.353 4.062 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.832 12.757 1.795 1.00 0.00 C ATOM 0 H ILE A 48 -3.087 10.376 4.945 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.961 12.878 5.996 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.766 12.324 3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.891 13.289 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.320 11.594 3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.393 14.691 3.031 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.231 14.517 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.497 14.915 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.882 12.553 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.584 12.054 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.149 13.774 1.566 1.00 0.00 H new ATOM 677 N ASP A 49 -5.195 12.127 5.852 1.00 0.00 N ATOM 678 CA ASP A 49 -6.481 12.354 6.501 1.00 0.00 C ATOM 679 C ASP A 49 -6.848 11.180 7.404 1.00 0.00 C ATOM 680 O ASP A 49 -6.224 10.121 7.347 1.00 0.00 O ATOM 681 CB ASP A 49 -7.574 12.569 5.453 1.00 0.00 C ATOM 682 CG ASP A 49 -8.706 13.436 5.967 1.00 0.00 C ATOM 683 OD1 ASP A 49 -8.432 14.356 6.765 1.00 0.00 O ATOM 684 OD2 ASP A 49 -9.866 13.194 5.571 1.00 0.00 O ATOM 0 H ASP A 49 -5.234 11.506 5.044 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.397 13.250 7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.138 13.032 4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.972 11.603 5.144 1.00 0.00 H new ATOM 689 N ASP A 50 -7.865 11.377 8.236 1.00 0.00 N ATOM 690 CA ASP A 50 -8.316 10.335 9.152 1.00 0.00 C ATOM 691 C ASP A 50 -9.272 9.374 8.453 1.00 0.00 C ATOM 692 O ASP A 50 -10.177 8.820 9.076 1.00 0.00 O ATOM 693 CB ASP A 50 -8.998 10.958 10.370 1.00 0.00 C ATOM 694 CG ASP A 50 -8.007 11.381 11.436 1.00 0.00 C ATOM 695 OD1 ASP A 50 -6.876 11.767 11.075 1.00 0.00 O ATOM 696 OD2 ASP A 50 -8.362 11.325 12.633 1.00 0.00 O ATOM 0 H ASP A 50 -8.393 12.248 8.295 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.443 9.773 9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.579 11.825 10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.701 10.241 10.795 1.00 0.00 H new ATOM 701 N GLY A 51 -9.067 9.183 7.153 1.00 0.00 N ATOM 702 CA GLY A 51 -9.919 8.290 6.390 1.00 0.00 C ATOM 703 C GLY A 51 -9.317 7.917 5.050 1.00 0.00 C ATOM 704 O GLY A 51 -9.534 6.813 4.551 1.00 0.00 O ATOM 0 H GLY A 51 -8.326 9.631 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.100 7.384 6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.887 8.765 6.230 1.00 0.00 H new ATOM 708 N TRP A 52 -8.560 8.839 4.467 1.00 0.00 N ATOM 709 CA TRP A 52 -7.926 8.601 3.175 1.00 0.00 C ATOM 710 C TRP A 52 -6.407 8.653 3.296 1.00 0.00 C ATOM 711 O TRP A 52 -5.867 9.365 4.143 1.00 0.00 O ATOM 712 CB TRP A 52 -8.404 9.633 2.152 1.00 0.00 C ATOM 713 CG TRP A 52 -9.866 9.527 1.839 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.905 9.729 2.702 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.450 9.192 0.576 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.100 9.540 2.051 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.848 9.210 0.746 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.928 8.881 -0.682 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.728 8.927 -0.296 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.803 8.600 -1.715 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.190 8.626 -1.517 1.00 0.00 C ATOM 0 H TRP A 52 -8.370 9.758 4.868 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.211 7.605 2.836 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.192 10.633 2.530 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.833 9.513 1.231 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.802 9.998 3.743 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -13.025 9.631 2.471 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.861 8.860 -0.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.797 8.945 -0.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.411 8.356 -2.691 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.847 8.404 -2.345 1.00 0.00 H new ATOM 732 N TRP A 53 -5.724 7.895 2.446 1.00 0.00 N ATOM 733 CA TRP A 53 -4.266 7.855 2.459 1.00 0.00 C ATOM 734 C TRP A 53 -3.708 7.899 1.041 1.00 0.00 C ATOM 735 O TRP A 53 -4.451 7.775 0.068 1.00 0.00 O ATOM 736 CB TRP A 53 -3.776 6.595 3.175 1.00 0.00 C ATOM 737 CG TRP A 53 -4.264 6.487 4.588 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.405 7.505 5.487 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.673 5.293 5.264 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.877 7.016 6.681 1.00 0.00 N ATOM 741 CE2 TRP A 53 -5.051 5.662 6.570 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.760 3.948 4.893 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.505 4.734 7.503 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -5.211 3.029 5.820 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.580 3.425 7.113 1.00 0.00 C ATOM 0 H TRP A 53 -6.156 7.300 1.739 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.908 8.732 2.998 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.104 5.718 2.617 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.686 6.585 3.173 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.179 8.542 5.289 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.067 7.571 7.515 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.479 3.633 3.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.788 5.037 8.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.281 1.987 5.544 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.930 2.682 7.815 1.00 0.00 H new ATOM 756 N ARG A 54 -2.395 8.076 0.932 1.00 0.00 N ATOM 757 CA ARG A 54 -1.738 8.137 -0.368 1.00 0.00 C ATOM 758 C ARG A 54 -0.589 7.136 -0.444 1.00 0.00 C ATOM 759 O ARG A 54 0.325 7.162 0.379 1.00 0.00 O ATOM 760 CB ARG A 54 -1.216 9.550 -0.633 1.00 0.00 C ATOM 761 CG ARG A 54 -2.275 10.500 -1.171 1.00 0.00 C ATOM 762 CD ARG A 54 -1.664 11.568 -2.064 1.00 0.00 C ATOM 763 NE ARG A 54 -2.599 12.026 -3.087 1.00 0.00 N ATOM 764 CZ ARG A 54 -2.286 12.914 -4.025 1.00 0.00 C ATOM 765 NH1 ARG A 54 -1.068 13.435 -4.068 1.00 0.00 N ATOM 766 NH2 ARG A 54 -3.192 13.281 -4.922 1.00 0.00 N ATOM 0 H ARG A 54 -1.766 8.180 1.728 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.473 7.879 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.811 9.958 0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.393 9.496 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.019 9.936 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.796 10.974 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.351 12.415 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.769 11.172 -2.543 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.545 11.644 -3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.369 13.155 -3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.830 14.116 -4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.130 12.882 -4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.950 13.963 -5.641 1.00 0.00 H new ATOM 780 N GLY A 55 -0.643 6.255 -1.438 1.00 0.00 N ATOM 781 CA GLY A 55 0.398 5.257 -1.603 1.00 0.00 C ATOM 782 C GLY A 55 0.710 4.979 -3.060 1.00 0.00 C ATOM 783 O GLY A 55 -0.054 5.358 -3.949 1.00 0.00 O ATOM 0 H GLY A 55 -1.389 6.214 -2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.304 5.595 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.089 4.331 -1.118 1.00 0.00 H new ATOM 787 N VAL A 56 1.835 4.317 -3.307 1.00 0.00 N ATOM 788 CA VAL A 56 2.246 3.989 -4.667 1.00 0.00 C ATOM 789 C VAL A 56 1.762 2.600 -5.068 1.00 0.00 C ATOM 790 O VAL A 56 2.311 1.589 -4.627 1.00 0.00 O ATOM 791 CB VAL A 56 3.778 4.051 -4.821 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.188 3.675 -6.237 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.294 5.435 -4.457 1.00 0.00 C ATOM 0 H VAL A 56 2.479 3.997 -2.583 1.00 0.00 H new ATOM 0 HA VAL A 56 1.792 4.732 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 56 4.224 3.330 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.273 3.724 -6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.852 2.662 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.733 4.369 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.378 5.461 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.842 6.177 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.033 5.660 -3.423 1.00 0.00 H new ATOM 803 N CYS A 57 0.732 2.558 -5.905 1.00 0.00 N ATOM 804 CA CYS A 57 0.173 1.292 -6.366 1.00 0.00 C ATOM 805 C CYS A 57 0.370 1.125 -7.869 1.00 0.00 C ATOM 806 O CYS A 57 0.040 2.015 -8.652 1.00 0.00 O ATOM 807 CB CYS A 57 -1.316 1.213 -6.023 1.00 0.00 C ATOM 808 SG CYS A 57 -2.402 1.916 -7.286 1.00 0.00 S ATOM 0 H CYS A 57 0.267 3.385 -6.278 1.00 0.00 H new ATOM 0 HA CYS A 57 0.699 0.484 -5.857 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.587 0.169 -5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.489 1.732 -5.080 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.712 2.173 -8.357 1.00 0.00 H new ATOM 814 N LYS A 58 0.913 -0.021 -8.265 1.00 0.00 N ATOM 815 CA LYS A 58 1.156 -0.306 -9.674 1.00 0.00 C ATOM 816 C LYS A 58 1.769 0.901 -10.376 1.00 0.00 C ATOM 817 O LYS A 58 1.539 1.124 -11.564 1.00 0.00 O ATOM 818 CB LYS A 58 -0.149 -0.705 -10.368 1.00 0.00 C ATOM 819 CG LYS A 58 -0.550 -2.149 -10.125 1.00 0.00 C ATOM 820 CD LYS A 58 -1.345 -2.711 -11.292 1.00 0.00 C ATOM 821 CE LYS A 58 -0.434 -3.146 -12.429 1.00 0.00 C ATOM 822 NZ LYS A 58 -1.200 -3.441 -13.672 1.00 0.00 N ATOM 0 H LYS A 58 1.193 -0.768 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 58 1.861 -1.135 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.949 -0.051 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.045 -0.541 -11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.343 -2.754 -9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.144 -2.214 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.938 -3.561 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.045 -1.958 -11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.296 -2.362 -12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.125 -4.032 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.543 -3.734 -14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.879 -4.207 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.713 -2.588 -13.974 1.00 0.00 H new ATOM 836 N GLY A 59 2.552 1.678 -9.633 1.00 0.00 N ATOM 837 CA GLY A 59 3.186 2.853 -10.202 1.00 0.00 C ATOM 838 C GLY A 59 2.254 4.047 -10.255 1.00 0.00 C ATOM 839 O GLY A 59 2.245 4.792 -11.235 1.00 0.00 O ATOM 0 H GLY A 59 2.758 1.515 -8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.066 3.109 -9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.534 2.623 -11.209 1.00 0.00 H new ATOM 843 N ARG A 60 1.466 4.228 -9.200 1.00 0.00 N ATOM 844 CA ARG A 60 0.524 5.338 -9.132 1.00 0.00 C ATOM 845 C ARG A 60 0.366 5.830 -7.697 1.00 0.00 C ATOM 846 O ARG A 60 0.012 5.063 -6.802 1.00 0.00 O ATOM 847 CB ARG A 60 -0.836 4.915 -9.690 1.00 0.00 C ATOM 848 CG ARG A 60 -0.986 5.160 -11.182 1.00 0.00 C ATOM 849 CD ARG A 60 -2.431 5.449 -11.558 1.00 0.00 C ATOM 850 NE ARG A 60 -2.744 5.002 -12.913 1.00 0.00 N ATOM 851 CZ ARG A 60 -3.791 5.436 -13.606 1.00 0.00 C ATOM 852 NH1 ARG A 60 -4.620 6.324 -13.075 1.00 0.00 N ATOM 853 NH2 ARG A 60 -4.009 4.983 -14.834 1.00 0.00 N ATOM 0 H ARG A 60 1.462 3.620 -8.381 1.00 0.00 H new ATOM 0 HA ARG A 60 0.919 6.155 -9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.988 3.855 -9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.620 5.456 -9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.357 5.999 -11.479 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.634 4.287 -11.732 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.096 4.954 -10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.620 6.519 -11.477 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.125 4.320 -13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.455 6.676 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.423 6.655 -13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.372 4.301 -15.247 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.813 5.317 -15.365 1.00 0.00 H new ATOM 867 N TYR A 61 0.632 7.114 -7.485 1.00 0.00 N ATOM 868 CA TYR A 61 0.523 7.709 -6.158 1.00 0.00 C ATOM 869 C TYR A 61 -0.601 8.738 -6.113 1.00 0.00 C ATOM 870 O TYR A 61 -0.512 9.800 -6.727 1.00 0.00 O ATOM 871 CB TYR A 61 1.846 8.365 -5.759 1.00 0.00 C ATOM 872 CG TYR A 61 1.764 9.164 -4.479 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.888 8.546 -3.241 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.564 10.539 -4.507 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.813 9.273 -2.068 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.489 11.274 -3.340 1.00 0.00 C ATOM 877 CZ TYR A 61 1.613 10.637 -2.123 1.00 0.00 C ATOM 878 OH TYR A 61 1.539 11.365 -0.958 1.00 0.00 O ATOM 0 H TYR A 61 0.925 7.763 -8.215 1.00 0.00 H new ATOM 0 HA TYR A 61 0.292 6.913 -5.450 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.606 7.592 -5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.175 9.020 -6.566 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.046 7.479 -3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.466 11.042 -5.458 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.910 8.776 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.334 12.342 -3.380 1.00 0.00 H new ATOM 0 HH TYR A 61 1.397 12.311 -1.172 1.00 0.00 H new ATOM 888 N GLY A 62 -1.662 8.415 -5.378 1.00 0.00 N ATOM 889 CA GLY A 62 -2.790 9.321 -5.265 1.00 0.00 C ATOM 890 C GLY A 62 -3.608 9.075 -4.013 1.00 0.00 C ATOM 891 O GLY A 62 -3.232 8.263 -3.167 1.00 0.00 O ATOM 0 H GLY A 62 -1.760 7.542 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.428 10.349 -5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.430 9.211 -6.141 1.00 0.00 H new ATOM 895 N LEU A 63 -4.729 9.777 -3.894 1.00 0.00 N ATOM 896 CA LEU A 63 -5.603 9.632 -2.735 1.00 0.00 C ATOM 897 C LEU A 63 -6.442 8.362 -2.841 1.00 0.00 C ATOM 898 O LEU A 63 -6.865 7.974 -3.930 1.00 0.00 O ATOM 899 CB LEU A 63 -6.518 10.851 -2.604 1.00 0.00 C ATOM 900 CG LEU A 63 -5.980 12.006 -1.759 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.528 13.334 -2.258 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.329 11.801 -0.292 1.00 0.00 C ATOM 0 H LEU A 63 -5.054 10.452 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.976 9.559 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.733 11.228 -3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.466 10.525 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.894 12.026 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.134 14.144 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.227 13.485 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.616 13.326 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.938 12.632 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.412 11.754 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.887 10.869 0.060 1.00 0.00 H new ATOM 914 N PHE A 64 -6.681 7.720 -1.702 1.00 0.00 N ATOM 915 CA PHE A 64 -7.470 6.495 -1.666 1.00 0.00 C ATOM 916 C PHE A 64 -8.058 6.267 -0.277 1.00 0.00 C ATOM 917 O PHE A 64 -7.429 6.545 0.744 1.00 0.00 O ATOM 918 CB PHE A 64 -6.609 5.296 -2.072 1.00 0.00 C ATOM 919 CG PHE A 64 -5.620 4.886 -1.019 1.00 0.00 C ATOM 920 CD1 PHE A 64 -6.047 4.290 0.157 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.263 5.096 -1.205 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.138 3.912 1.127 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.350 4.720 -0.238 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.788 4.126 0.929 1.00 0.00 C ATOM 0 H PHE A 64 -6.339 8.028 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.291 6.600 -2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.260 4.451 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.072 5.538 -2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.101 4.119 0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.915 5.559 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.483 3.449 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.295 4.891 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.076 3.829 1.685 1.00 0.00 H new ATOM 934 N PRO A 65 -9.294 5.748 -0.236 1.00 0.00 N ATOM 935 CA PRO A 65 -9.995 5.471 1.021 1.00 0.00 C ATOM 936 C PRO A 65 -9.375 4.306 1.786 1.00 0.00 C ATOM 937 O PRO A 65 -9.130 3.241 1.221 1.00 0.00 O ATOM 938 CB PRO A 65 -11.413 5.117 0.567 1.00 0.00 C ATOM 939 CG PRO A 65 -11.251 4.617 -0.827 1.00 0.00 C ATOM 940 CD PRO A 65 -10.103 5.392 -1.414 1.00 0.00 C ATOM 0 HA PRO A 65 -9.951 6.317 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.857 4.358 1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.069 5.987 0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.045 3.547 -0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.162 4.771 -1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.535 4.792 -2.125 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.447 6.278 -1.948 1.00 0.00 H new ATOM 948 N ALA A 66 -9.125 4.516 3.074 1.00 0.00 N ATOM 949 CA ALA A 66 -8.536 3.482 3.916 1.00 0.00 C ATOM 950 C ALA A 66 -9.558 2.404 4.258 1.00 0.00 C ATOM 951 O ALA A 66 -9.243 1.430 4.939 1.00 0.00 O ATOM 952 CB ALA A 66 -7.968 4.097 5.187 1.00 0.00 C ATOM 0 H ALA A 66 -9.321 5.393 3.557 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.725 3.012 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.531 3.314 5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.199 4.825 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.766 4.594 5.739 1.00 0.00 H new ATOM 958 N ASN A 67 -10.786 2.587 3.782 1.00 0.00 N ATOM 959 CA ASN A 67 -11.856 1.630 4.040 1.00 0.00 C ATOM 960 C ASN A 67 -11.784 0.459 3.064 1.00 0.00 C ATOM 961 O ASN A 67 -11.974 -0.695 3.449 1.00 0.00 O ATOM 962 CB ASN A 67 -13.219 2.316 3.931 1.00 0.00 C ATOM 963 CG ASN A 67 -13.429 3.359 5.012 1.00 0.00 C ATOM 964 OD1 ASN A 67 -12.480 3.787 5.670 1.00 0.00 O ATOM 965 ND2 ASN A 67 -14.677 3.772 5.201 1.00 0.00 N ATOM 0 H ASN A 67 -11.064 3.389 3.216 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.730 1.245 5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.308 2.788 2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.007 1.565 3.996 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.880 4.472 5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -15.432 3.390 4.632 1.00 0.00 H new ATOM 972 N TYR A 68 -11.510 0.765 1.801 1.00 0.00 N ATOM 973 CA TYR A 68 -11.415 -0.262 0.770 1.00 0.00 C ATOM 974 C TYR A 68 -10.076 -0.989 0.847 1.00 0.00 C ATOM 975 O TYR A 68 -9.729 -1.770 -0.039 1.00 0.00 O ATOM 976 CB TYR A 68 -11.591 0.361 -0.616 1.00 0.00 C ATOM 977 CG TYR A 68 -13.031 0.664 -0.966 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.676 1.774 -0.436 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.746 -0.161 -1.825 1.00 0.00 C ATOM 980 CE1 TYR A 68 -14.991 2.055 -0.751 1.00 0.00 C ATOM 981 CE2 TYR A 68 -15.061 0.113 -2.148 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.679 1.221 -1.608 1.00 0.00 C ATOM 983 OH TYR A 68 -16.989 1.497 -1.926 1.00 0.00 O ATOM 0 H TYR A 68 -11.350 1.715 1.466 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.211 -0.987 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.012 1.283 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.179 -0.316 -1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.140 2.429 0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.266 -1.031 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.478 2.922 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.602 -0.537 -2.820 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.327 0.814 -2.542 1.00 0.00 H new ATOM 993 N VAL A 69 -9.328 -0.727 1.914 1.00 0.00 N ATOM 994 CA VAL A 69 -8.028 -1.357 2.109 1.00 0.00 C ATOM 995 C VAL A 69 -7.788 -1.677 3.581 1.00 0.00 C ATOM 996 O VAL A 69 -8.519 -1.211 4.454 1.00 0.00 O ATOM 997 CB VAL A 69 -6.886 -0.459 1.598 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.098 -0.109 0.132 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.778 0.800 2.445 1.00 0.00 C ATOM 0 H VAL A 69 -9.600 -0.083 2.656 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.036 -2.283 1.535 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.948 -1.008 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.282 0.526 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.121 -1.023 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.043 0.422 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.966 1.423 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.715 1.355 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.576 0.526 3.480 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.758 -2.474 3.847 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.422 -2.856 5.214 1.00 0.00 C ATOM 1011 C GLU A 70 -4.917 -2.765 5.450 1.00 0.00 C ATOM 1012 O GLU A 70 -4.124 -3.323 4.691 1.00 0.00 O ATOM 1013 CB GLU A 70 -6.910 -4.277 5.505 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.753 -4.689 6.959 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.962 -4.332 7.801 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -9.093 -4.658 7.382 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -7.778 -3.726 8.877 1.00 0.00 O ATOM 0 H GLU A 70 -6.142 -2.867 3.135 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.921 -2.163 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.961 -4.356 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.360 -4.977 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.583 -5.764 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.869 -4.206 7.376 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.532 -2.058 6.506 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.122 -1.893 6.843 1.00 0.00 C ATOM 1026 C LEU A 71 -2.518 -3.210 7.321 1.00 0.00 C ATOM 1027 O LEU A 71 -2.970 -3.790 8.308 1.00 0.00 O ATOM 1028 CB LEU A 71 -2.958 -0.822 7.924 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.429 0.584 7.552 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.730 1.394 8.803 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.386 1.287 6.696 1.00 0.00 C ATOM 0 H LEU A 71 -5.176 -1.590 7.144 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.593 -1.578 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.503 -1.143 8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.904 -0.770 8.199 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.347 0.497 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.064 2.392 8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.513 0.899 9.377 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.829 1.472 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.738 2.286 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.451 1.363 7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.221 0.716 5.782 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.494 -3.675 6.614 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.827 -4.923 6.966 1.00 0.00 C ATOM 1045 C ARG A 72 0.181 -4.703 8.091 1.00 0.00 C ATOM 1046 O ARG A 72 1.090 -3.883 7.970 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.122 -5.512 5.743 1.00 0.00 C ATOM 1048 CG ARG A 72 -1.063 -6.210 4.775 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.297 -7.012 3.734 1.00 0.00 C ATOM 1050 NE ARG A 72 0.016 -8.359 4.204 1.00 0.00 N ATOM 1051 CZ ARG A 72 -0.901 -9.298 4.406 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -2.182 -9.039 4.181 1.00 0.00 N ATOM 1053 NH2 ARG A 72 -0.538 -10.501 4.834 1.00 0.00 N ATOM 0 H ARG A 72 -1.108 -3.207 5.794 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.585 -5.625 7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.401 -4.714 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.634 -6.222 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.730 -6.872 5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.689 -5.470 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.886 -7.075 2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.627 -6.491 3.483 1.00 0.00 H new ATOM 0 HE ARG A 72 0.992 -8.591 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.466 -8.116 3.852 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.884 -9.763 4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.446 -10.705 5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.243 -11.221 4.989 1.00 0.00 H new ATOM 1067 N GLN A 73 0.011 -5.441 9.183 1.00 0.00 N ATOM 1068 CA GLN A 73 0.905 -5.325 10.329 1.00 0.00 C ATOM 1069 C GLN A 73 2.264 -5.946 10.025 1.00 0.00 C ATOM 1070 O GLN A 73 2.358 -7.130 9.701 1.00 0.00 O ATOM 1071 CB GLN A 73 0.287 -5.998 11.556 1.00 0.00 C ATOM 1072 CG GLN A 73 0.795 -5.442 12.876 1.00 0.00 C ATOM 1073 CD GLN A 73 0.060 -4.186 13.302 1.00 0.00 C ATOM 1074 OE1 GLN A 73 0.665 -3.128 13.476 1.00 0.00 O ATOM 1075 NE2 GLN A 73 -1.252 -4.297 13.473 1.00 0.00 N ATOM 0 H GLN A 73 -0.737 -6.125 9.298 1.00 0.00 H new ATOM 0 HA GLN A 73 1.049 -4.265 10.539 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.796 -5.883 11.516 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.496 -7.067 11.517 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.688 -6.201 13.651 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.859 -5.223 12.788 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.713 -5.194 13.318 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.799 -3.485 13.760 1.00 0.00 H new ATOM 1084 N SER A 74 3.315 -5.139 10.130 1.00 0.00 N ATOM 1085 CA SER A 74 4.669 -5.608 9.862 1.00 0.00 C ATOM 1086 C SER A 74 5.643 -5.090 10.916 1.00 0.00 C ATOM 1087 O SER A 74 5.281 -4.277 11.765 1.00 0.00 O ATOM 1088 CB SER A 74 5.121 -5.161 8.470 1.00 0.00 C ATOM 1089 OG SER A 74 6.083 -6.053 7.935 1.00 0.00 O ATOM 0 H SER A 74 3.255 -4.157 10.399 1.00 0.00 H new ATOM 0 HA SER A 74 4.663 -6.697 9.902 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.260 -5.108 7.804 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.543 -4.157 8.526 1.00 0.00 H new ATOM 0 HG SER A 74 6.354 -5.746 7.045 1.00 0.00 H new ATOM 1095 N GLY A 75 6.883 -5.567 10.854 1.00 0.00 N ATOM 1096 CA GLY A 75 7.890 -5.141 11.807 1.00 0.00 C ATOM 1097 C GLY A 75 7.471 -5.389 13.243 1.00 0.00 C ATOM 1098 O GLY A 75 7.260 -4.457 14.020 1.00 0.00 O ATOM 0 H GLY A 75 7.207 -6.241 10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.822 -5.670 11.607 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.091 -4.079 11.669 1.00 0.00 H new ATOM 1102 N PRO A 76 7.342 -6.671 13.613 1.00 0.00 N ATOM 1103 CA PRO A 76 6.943 -7.068 14.967 1.00 0.00 C ATOM 1104 C PRO A 76 8.026 -6.776 16.000 1.00 0.00 C ATOM 1105 O PRO A 76 7.872 -7.089 17.180 1.00 0.00 O ATOM 1106 CB PRO A 76 6.716 -8.577 14.841 1.00 0.00 C ATOM 1107 CG PRO A 76 7.570 -8.994 13.694 1.00 0.00 C ATOM 1108 CD PRO A 76 7.577 -7.833 12.739 1.00 0.00 C ATOM 0 HA PRO A 76 6.067 -6.518 15.312 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.000 -9.098 15.756 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.666 -8.805 14.657 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.580 -9.232 14.026 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.172 -9.890 13.217 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.527 -7.753 12.211 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.799 -7.931 11.982 1.00 0.00 H new ATOM 1116 N SER A 77 9.122 -6.175 15.547 1.00 0.00 N ATOM 1117 CA SER A 77 10.233 -5.844 16.432 1.00 0.00 C ATOM 1118 C SER A 77 9.969 -4.534 17.169 1.00 0.00 C ATOM 1119 O SER A 77 9.995 -4.485 18.399 1.00 0.00 O ATOM 1120 CB SER A 77 11.535 -5.740 15.635 1.00 0.00 C ATOM 1121 OG SER A 77 12.643 -5.531 16.493 1.00 0.00 O ATOM 0 H SER A 77 9.264 -5.908 14.573 1.00 0.00 H new ATOM 0 HA SER A 77 10.329 -6.642 17.168 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.685 -6.652 15.057 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.464 -4.919 14.921 1.00 0.00 H new ATOM 0 HG SER A 77 13.463 -5.470 15.960 1.00 0.00 H new ATOM 1127 N SER A 78 9.715 -3.475 16.407 1.00 0.00 N ATOM 1128 CA SER A 78 9.450 -2.163 16.986 1.00 0.00 C ATOM 1129 C SER A 78 8.405 -2.259 18.093 1.00 0.00 C ATOM 1130 O SER A 78 7.388 -2.935 17.945 1.00 0.00 O ATOM 1131 CB SER A 78 8.975 -1.191 15.904 1.00 0.00 C ATOM 1132 OG SER A 78 10.070 -0.513 15.312 1.00 0.00 O ATOM 0 H SER A 78 9.687 -3.500 15.388 1.00 0.00 H new ATOM 0 HA SER A 78 10.379 -1.790 17.418 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.423 -1.736 15.138 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.286 -0.466 16.338 1.00 0.00 H new ATOM 0 HG SER A 78 9.741 0.101 14.623 1.00 0.00 H new ATOM 1138 N GLY A 79 8.664 -1.576 19.204 1.00 0.00 N ATOM 1139 CA GLY A 79 7.737 -1.596 20.321 1.00 0.00 C ATOM 1140 C GLY A 79 8.445 -1.596 21.661 1.00 0.00 C ATOM 1141 O GLY A 79 7.818 -1.396 22.701 1.00 0.00 O ATOM 0 H GLY A 79 9.499 -1.009 19.351 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.081 -0.728 20.260 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.104 -2.480 20.248 1.00 0.00 H new TER 1145 GLY A 79