USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 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 91 SER OG : rot 60:sc= -3.43! USER MOD Set 1.2: A 95 THR OG1 : rot -139:sc= -0.608 USER MOD Set 2.1: A 32 CYS SG : rot 180:sc= -0.438 USER MOD Set 2.2: A 76 GLN : amide:sc= -9.74! C(o=-10!,f=-15!) USER MOD Set 3.1: A 17 GLN : amide:sc= -2.1 K(o=-2.1,f=-2.6) USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc=-8.58e-05 X(o=-8.6e-05,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 56:sc= 0.874 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 50:sc= 0.668 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 15 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -5:sc= 0.245 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 48 GLN : amide:sc= -0.611 K(o=-0.61,f=-3.4!) USER MOD Single : A 51 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.66 X(o=-2.7,f=-2.3!) USER MOD Single : A 63 THR OG1 : rot -130:sc= -1.12 USER MOD Single : A 64 GLN : amide:sc= -1.38 K(o=-1.4,f=-4.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 131:sc= 0.292 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot -48:sc= 1.31 USER MOD Single : A 78 THR OG1 : rot -61:sc= -0.748 USER MOD Single : A 84 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.1!) USER MOD Single : A 86 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.3!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.747 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 110:sc= -0.144 USER MOD Single : A 105 THR OG1 : rot 78:sc= 0.446 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.886 -5.031 -6.850 1.00 64.43 N ATOM 2 CA GLN A 1 2.697 -4.333 -6.377 1.00 71.43 C ATOM 3 C GLN A 1 3.012 -2.875 -6.060 1.00 34.34 C ATOM 4 O GLN A 1 3.505 -2.558 -4.978 1.00 35.25 O ATOM 5 CB GLN A 1 2.132 -5.028 -5.137 1.00 12.51 C ATOM 6 CG GLN A 1 0.613 -5.046 -5.089 1.00 15.31 C ATOM 7 CD GLN A 1 0.076 -5.307 -3.695 1.00 53.24 C ATOM 8 OE1 GLN A 1 0.326 -6.360 -3.109 1.00 33.14 O ATOM 9 NE2 GLN A 1 -0.667 -4.347 -3.157 1.00 42.52 N ATOM 0 H1 GLN A 1 3.647 -6.021 -7.059 1.00 64.43 H new ATOM 0 H2 GLN A 1 4.239 -4.570 -7.713 1.00 64.43 H new ATOM 0 H3 GLN A 1 4.622 -5.000 -6.116 1.00 64.43 H new ATOM 0 HA GLN A 1 1.950 -4.359 -7.171 1.00 71.43 H new ATOM 0 HB2 GLN A 1 2.500 -6.053 -5.106 1.00 12.51 H new ATOM 0 HB3 GLN A 1 2.509 -4.526 -4.246 1.00 12.51 H new ATOM 0 HG2 GLN A 1 0.231 -4.091 -5.449 1.00 15.31 H new ATOM 0 HG3 GLN A 1 0.241 -5.814 -5.767 1.00 15.31 H new ATOM 0 HE21 GLN A 1 -0.849 -3.490 -3.679 1.00 42.52 H new ATOM 0 HE22 GLN A 1 -1.056 -4.467 -2.222 1.00 42.52 H new ATOM 18 N ALA A 2 2.724 -1.992 -7.010 1.00 73.21 N ATOM 19 CA ALA A 2 2.975 -0.568 -6.831 1.00 15.44 C ATOM 20 C ALA A 2 2.410 0.240 -7.994 1.00 52.12 C ATOM 21 O ALA A 2 3.152 0.698 -8.862 1.00 41.32 O ATOM 22 CB ALA A 2 4.466 -0.309 -6.681 1.00 65.11 C ATOM 0 H ALA A 2 2.316 -2.238 -7.912 1.00 73.21 H new ATOM 0 HA ALA A 2 2.469 -0.247 -5.920 1.00 15.44 H new ATOM 0 HB1 ALA A 2 4.638 0.759 -6.548 1.00 65.11 H new ATOM 0 HB2 ALA A 2 4.843 -0.848 -5.812 1.00 65.11 H new ATOM 0 HB3 ALA A 2 4.987 -0.652 -7.575 1.00 65.11 H new ATOM 28 N ALA A 3 1.092 0.410 -8.006 1.00 13.21 N ATOM 29 CA ALA A 3 0.428 1.164 -9.062 1.00 61.24 C ATOM 30 C ALA A 3 -1.032 1.430 -8.713 1.00 32.23 C ATOM 31 O ALA A 3 -1.542 0.927 -7.712 1.00 33.42 O ATOM 32 CB ALA A 3 0.529 0.419 -10.385 1.00 72.22 C ATOM 0 H ALA A 3 0.463 0.035 -7.296 1.00 13.21 H new ATOM 0 HA ALA A 3 0.932 2.126 -9.159 1.00 61.24 H new ATOM 0 HB1 ALA A 3 0.029 0.993 -11.165 1.00 72.22 H new ATOM 0 HB2 ALA A 3 1.578 0.286 -10.648 1.00 72.22 H new ATOM 0 HB3 ALA A 3 0.052 -0.557 -10.291 1.00 72.22 H new ATOM 38 N SER A 4 -1.700 2.224 -9.543 1.00 44.35 N ATOM 39 CA SER A 4 -3.101 2.561 -9.319 1.00 64.22 C ATOM 40 C SER A 4 -3.625 3.471 -10.426 1.00 5.23 C ATOM 41 O SER A 4 -3.373 4.676 -10.425 1.00 42.34 O ATOM 42 CB SER A 4 -3.272 3.241 -7.960 1.00 33.04 C ATOM 43 OG SER A 4 -3.747 2.325 -6.988 1.00 2.44 O ATOM 0 H SER A 4 -1.293 2.646 -10.378 1.00 44.35 H new ATOM 0 HA SER A 4 -3.678 1.636 -9.330 1.00 64.22 H new ATOM 0 HB2 SER A 4 -2.319 3.658 -7.636 1.00 33.04 H new ATOM 0 HB3 SER A 4 -3.970 4.073 -8.051 1.00 33.04 H new ATOM 0 HG SER A 4 -3.138 1.559 -6.935 1.00 2.44 H new ATOM 49 N VAL A 5 -4.355 2.885 -11.369 1.00 52.30 N ATOM 50 CA VAL A 5 -4.916 3.642 -12.482 1.00 14.13 C ATOM 51 C VAL A 5 -6.335 4.106 -12.171 1.00 71.40 C ATOM 52 O VAL A 5 -7.200 3.301 -11.827 1.00 23.43 O ATOM 53 CB VAL A 5 -4.933 2.808 -13.776 1.00 65.04 C ATOM 54 CG1 VAL A 5 -3.514 2.536 -14.254 1.00 53.13 C ATOM 55 CG2 VAL A 5 -5.690 1.507 -13.562 1.00 33.42 C ATOM 0 H VAL A 5 -4.572 1.888 -11.385 1.00 52.30 H new ATOM 0 HA VAL A 5 -4.276 4.512 -12.628 1.00 14.13 H new ATOM 0 HB VAL A 5 -5.449 3.378 -14.548 1.00 65.04 H new ATOM 0 HG11 VAL A 5 -3.545 1.945 -15.170 1.00 53.13 H new ATOM 0 HG12 VAL A 5 -3.008 3.482 -14.449 1.00 53.13 H new ATOM 0 HG13 VAL A 5 -2.970 1.986 -13.486 1.00 53.13 H new ATOM 0 HG21 VAL A 5 -5.692 0.931 -14.487 1.00 33.42 H new ATOM 0 HG22 VAL A 5 -5.205 0.929 -12.775 1.00 33.42 H new ATOM 0 HG23 VAL A 5 -6.717 1.727 -13.270 1.00 33.42 H new ATOM 65 N GLU A 6 -6.567 5.409 -12.296 1.00 21.33 N ATOM 66 CA GLU A 6 -7.882 5.979 -12.028 1.00 2.14 C ATOM 67 C GLU A 6 -8.604 6.317 -13.329 1.00 3.53 C ATOM 68 O GLU A 6 -8.258 7.268 -14.031 1.00 15.24 O ATOM 69 CB GLU A 6 -7.751 7.235 -11.163 1.00 21.42 C ATOM 70 CG GLU A 6 -6.852 7.049 -9.952 1.00 62.31 C ATOM 71 CD GLU A 6 -7.270 5.873 -9.090 1.00 2.51 C ATOM 72 OE1 GLU A 6 -8.301 5.986 -8.394 1.00 4.33 O ATOM 73 OE2 GLU A 6 -6.567 4.842 -9.111 1.00 22.22 O ATOM 0 H GLU A 6 -5.862 6.089 -12.581 1.00 21.33 H new ATOM 0 HA GLU A 6 -8.469 5.235 -11.490 1.00 2.14 H new ATOM 0 HB2 GLU A 6 -7.359 8.048 -11.774 1.00 21.42 H new ATOM 0 HB3 GLU A 6 -8.742 7.539 -10.826 1.00 21.42 H new ATOM 0 HG2 GLU A 6 -5.825 6.903 -10.286 1.00 62.31 H new ATOM 0 HG3 GLU A 6 -6.866 7.958 -9.351 1.00 62.31 H new ATOM 80 N PRO A 7 -9.631 5.521 -13.660 1.00 24.54 N ATOM 81 CA PRO A 7 -10.423 5.715 -14.877 1.00 70.15 C ATOM 82 C PRO A 7 -11.289 6.968 -14.812 1.00 13.14 C ATOM 83 O PRO A 7 -12.405 6.937 -14.292 1.00 31.40 O ATOM 84 CB PRO A 7 -11.300 4.461 -14.934 1.00 44.31 C ATOM 85 CG PRO A 7 -11.406 4.009 -13.519 1.00 24.13 C ATOM 86 CD PRO A 7 -10.098 4.369 -12.870 1.00 24.31 C ATOM 0 HA PRO A 7 -9.792 5.851 -15.756 1.00 70.15 H new ATOM 0 HB2 PRO A 7 -12.281 4.683 -15.353 1.00 44.31 H new ATOM 0 HB3 PRO A 7 -10.851 3.692 -15.563 1.00 44.31 H new ATOM 0 HG2 PRO A 7 -12.239 4.498 -13.015 1.00 24.13 H new ATOM 0 HG3 PRO A 7 -11.586 2.935 -13.465 1.00 24.13 H new ATOM 0 HD2 PRO A 7 -10.229 4.629 -11.819 1.00 24.31 H new ATOM 0 HD3 PRO A 7 -9.389 3.542 -12.908 1.00 24.31 H new ATOM 94 N TYR A 8 -10.769 8.070 -15.341 1.00 72.43 N ATOM 95 CA TYR A 8 -11.495 9.334 -15.341 1.00 2.23 C ATOM 96 C TYR A 8 -11.899 9.730 -13.924 1.00 32.42 C ATOM 97 O TYR A 8 -12.894 9.238 -13.390 1.00 43.31 O ATOM 98 CB TYR A 8 -12.737 9.234 -16.228 1.00 45.33 C ATOM 99 CG TYR A 8 -12.662 8.123 -17.251 1.00 42.32 C ATOM 100 CD1 TYR A 8 -11.658 8.103 -18.212 1.00 1.43 C ATOM 101 CD2 TYR A 8 -13.595 7.094 -17.258 1.00 12.30 C ATOM 102 CE1 TYR A 8 -11.586 7.091 -19.149 1.00 21.22 C ATOM 103 CE2 TYR A 8 -13.530 6.077 -18.190 1.00 71.02 C ATOM 104 CZ TYR A 8 -12.524 6.080 -19.134 1.00 21.34 C ATOM 105 OH TYR A 8 -12.457 5.069 -20.065 1.00 25.22 O ATOM 0 H TYR A 8 -9.847 8.113 -15.775 1.00 72.43 H new ATOM 0 HA TYR A 8 -10.834 10.103 -15.740 1.00 2.23 H new ATOM 0 HB2 TYR A 8 -13.612 9.077 -15.597 1.00 45.33 H new ATOM 0 HB3 TYR A 8 -12.882 10.183 -16.744 1.00 45.33 H new ATOM 0 HD1 TYR A 8 -10.921 8.893 -18.226 1.00 1.43 H new ATOM 0 HD2 TYR A 8 -14.385 7.089 -16.522 1.00 12.30 H new ATOM 0 HE1 TYR A 8 -10.800 7.091 -19.889 1.00 21.22 H new ATOM 0 HE2 TYR A 8 -14.263 5.284 -18.180 1.00 71.02 H new ATOM 0 HH TYR A 8 -13.191 4.437 -19.915 1.00 25.22 H new ATOM 115 N SER A 9 -11.120 10.622 -13.320 1.00 74.23 N ATOM 116 CA SER A 9 -11.394 11.082 -11.964 1.00 52.31 C ATOM 117 C SER A 9 -10.513 12.275 -11.607 1.00 41.41 C ATOM 118 O SER A 9 -9.486 12.126 -10.945 1.00 1.43 O ATOM 119 CB SER A 9 -11.167 9.948 -10.962 1.00 53.43 C ATOM 120 OG SER A 9 -12.388 9.309 -10.631 1.00 3.14 O ATOM 0 H SER A 9 -10.294 11.040 -13.748 1.00 74.23 H new ATOM 0 HA SER A 9 -12.437 11.395 -11.917 1.00 52.31 H new ATOM 0 HB2 SER A 9 -10.474 9.220 -11.383 1.00 53.43 H new ATOM 0 HB3 SER A 9 -10.703 10.344 -10.058 1.00 53.43 H new ATOM 0 HG SER A 9 -12.866 9.070 -11.453 1.00 3.14 H new ATOM 126 N ASP A 10 -10.922 13.459 -12.051 1.00 70.41 N ATOM 127 CA ASP A 10 -10.171 14.679 -11.779 1.00 34.14 C ATOM 128 C ASP A 10 -9.954 14.859 -10.280 1.00 5.55 C ATOM 129 O ASP A 10 -8.910 15.350 -9.849 1.00 34.14 O ATOM 130 CB ASP A 10 -10.905 15.893 -12.350 1.00 35.02 C ATOM 131 CG ASP A 10 -9.975 17.061 -12.613 1.00 34.03 C ATOM 132 OD1 ASP A 10 -9.612 17.278 -13.788 1.00 32.21 O ATOM 133 OD2 ASP A 10 -9.611 17.759 -11.643 1.00 74.24 O ATOM 0 H ASP A 10 -11.770 13.599 -12.601 1.00 70.41 H new ATOM 0 HA ASP A 10 -9.198 14.593 -12.262 1.00 34.14 H new ATOM 0 HB2 ASP A 10 -11.400 15.611 -13.279 1.00 35.02 H new ATOM 0 HB3 ASP A 10 -11.685 16.203 -11.654 1.00 35.02 H new ATOM 138 N ALA A 11 -10.946 14.461 -9.490 1.00 63.23 N ATOM 139 CA ALA A 11 -10.862 14.578 -8.040 1.00 32.32 C ATOM 140 C ALA A 11 -9.731 13.719 -7.484 1.00 51.21 C ATOM 141 O ALA A 11 -9.291 13.913 -6.351 1.00 75.31 O ATOM 142 CB ALA A 11 -12.187 14.187 -7.402 1.00 22.54 C ATOM 0 H ALA A 11 -11.817 14.055 -9.830 1.00 63.23 H new ATOM 0 HA ALA A 11 -10.646 15.618 -7.796 1.00 32.32 H new ATOM 0 HB1 ALA A 11 -12.110 14.279 -6.319 1.00 22.54 H new ATOM 0 HB2 ALA A 11 -12.975 14.846 -7.767 1.00 22.54 H new ATOM 0 HB3 ALA A 11 -12.426 13.156 -7.663 1.00 22.54 H new ATOM 148 N ALA A 12 -9.265 12.770 -8.289 1.00 22.22 N ATOM 149 CA ALA A 12 -8.184 11.883 -7.877 1.00 61.44 C ATOM 150 C ALA A 12 -6.823 12.493 -8.192 1.00 45.22 C ATOM 151 O ALA A 12 -5.865 12.323 -7.437 1.00 60.23 O ATOM 152 CB ALA A 12 -8.326 10.528 -8.555 1.00 74.20 C ATOM 0 H ALA A 12 -9.619 12.596 -9.230 1.00 22.22 H new ATOM 0 HA ALA A 12 -8.251 11.746 -6.798 1.00 61.44 H new ATOM 0 HB1 ALA A 12 -7.512 9.876 -8.238 1.00 74.20 H new ATOM 0 HB2 ALA A 12 -9.280 10.080 -8.276 1.00 74.20 H new ATOM 0 HB3 ALA A 12 -8.288 10.657 -9.637 1.00 74.20 H new ATOM 158 N PHE A 13 -6.743 13.205 -9.312 1.00 20.42 N ATOM 159 CA PHE A 13 -5.498 13.839 -9.727 1.00 44.34 C ATOM 160 C PHE A 13 -4.900 14.662 -8.590 1.00 14.14 C ATOM 161 O PHE A 13 -3.681 14.755 -8.448 1.00 45.12 O ATOM 162 CB PHE A 13 -5.738 14.733 -10.946 1.00 63.53 C ATOM 163 CG PHE A 13 -4.602 15.673 -11.234 1.00 30.44 C ATOM 164 CD1 PHE A 13 -4.840 17.018 -11.463 1.00 51.03 C ATOM 165 CD2 PHE A 13 -3.296 15.211 -11.274 1.00 73.44 C ATOM 166 CE1 PHE A 13 -3.797 17.886 -11.728 1.00 33.14 C ATOM 167 CE2 PHE A 13 -2.250 16.074 -11.538 1.00 25.22 C ATOM 168 CZ PHE A 13 -2.500 17.413 -11.766 1.00 34.21 C ATOM 0 H PHE A 13 -7.526 13.357 -9.948 1.00 20.42 H new ATOM 0 HA PHE A 13 -4.791 13.053 -9.994 1.00 44.34 H new ATOM 0 HB2 PHE A 13 -5.909 14.104 -11.820 1.00 63.53 H new ATOM 0 HB3 PHE A 13 -6.647 15.313 -10.788 1.00 63.53 H new ATOM 0 HD1 PHE A 13 -5.852 17.393 -11.434 1.00 51.03 H new ATOM 0 HD2 PHE A 13 -3.094 14.165 -11.097 1.00 73.44 H new ATOM 0 HE1 PHE A 13 -3.996 18.933 -11.905 1.00 33.14 H new ATOM 0 HE2 PHE A 13 -1.237 15.702 -11.566 1.00 25.22 H new ATOM 0 HZ PHE A 13 -1.683 18.089 -11.973 1.00 34.21 H new ATOM 178 N THR A 14 -5.769 15.259 -7.779 1.00 52.15 N ATOM 179 CA THR A 14 -5.329 16.076 -6.655 1.00 75.42 C ATOM 180 C THR A 14 -5.005 15.212 -5.442 1.00 30.30 C ATOM 181 O THR A 14 -3.982 15.407 -4.786 1.00 14.21 O ATOM 182 CB THR A 14 -6.399 17.112 -6.262 1.00 4.42 C ATOM 183 OG1 THR A 14 -7.707 16.581 -6.499 1.00 40.23 O ATOM 184 CG2 THR A 14 -6.218 18.401 -7.050 1.00 13.24 C ATOM 0 H THR A 14 -6.782 15.192 -7.880 1.00 52.15 H new ATOM 0 HA THR A 14 -4.428 16.599 -6.977 1.00 75.42 H new ATOM 0 HB THR A 14 -6.286 17.334 -5.201 1.00 4.42 H new ATOM 0 HG1 THR A 14 -8.381 17.246 -6.245 1.00 40.23 H new ATOM 0 HG21 THR A 14 -6.985 19.118 -6.756 1.00 13.24 H new ATOM 0 HG22 THR A 14 -5.232 18.818 -6.843 1.00 13.24 H new ATOM 0 HG23 THR A 14 -6.307 18.191 -8.116 1.00 13.24 H new ATOM 192 N GLN A 15 -5.882 14.256 -5.150 1.00 44.12 N ATOM 193 CA GLN A 15 -5.687 13.362 -4.015 1.00 1.32 C ATOM 194 C GLN A 15 -4.423 12.526 -4.190 1.00 53.54 C ATOM 195 O GLN A 15 -3.848 12.041 -3.217 1.00 34.22 O ATOM 196 CB GLN A 15 -6.900 12.445 -3.847 1.00 3.54 C ATOM 197 CG GLN A 15 -6.748 11.102 -4.542 1.00 53.44 C ATOM 198 CD GLN A 15 -6.062 10.068 -3.672 1.00 14.22 C ATOM 199 OE1 GLN A 15 -6.065 10.172 -2.445 1.00 15.11 O ATOM 200 NE2 GLN A 15 -5.469 9.062 -4.303 1.00 74.23 N ATOM 0 H GLN A 15 -6.734 14.081 -5.684 1.00 44.12 H new ATOM 0 HA GLN A 15 -5.575 13.973 -3.119 1.00 1.32 H new ATOM 0 HB2 GLN A 15 -7.074 12.277 -2.784 1.00 3.54 H new ATOM 0 HB3 GLN A 15 -7.783 12.949 -4.239 1.00 3.54 H new ATOM 0 HG2 GLN A 15 -7.732 10.733 -4.830 1.00 53.44 H new ATOM 0 HG3 GLN A 15 -6.176 11.235 -5.460 1.00 53.44 H new ATOM 0 HE21 GLN A 15 -5.491 9.015 -5.322 1.00 74.23 H new ATOM 0 HE22 GLN A 15 -4.991 8.336 -3.769 1.00 74.23 H new ATOM 209 N ALA A 16 -3.997 12.363 -5.438 1.00 62.24 N ATOM 210 CA ALA A 16 -2.800 11.587 -5.741 1.00 54.13 C ATOM 211 C ALA A 16 -1.537 12.395 -5.463 1.00 34.35 C ATOM 212 O ALA A 16 -0.529 11.851 -5.013 1.00 71.54 O ATOM 213 CB ALA A 16 -2.824 11.124 -7.191 1.00 13.44 C ATOM 0 H ALA A 16 -4.462 12.758 -6.255 1.00 62.24 H new ATOM 0 HA ALA A 16 -2.790 10.712 -5.091 1.00 54.13 H new ATOM 0 HB1 ALA A 16 -1.925 10.546 -7.403 1.00 13.44 H new ATOM 0 HB2 ALA A 16 -3.703 10.502 -7.360 1.00 13.44 H new ATOM 0 HB3 ALA A 16 -2.861 11.992 -7.849 1.00 13.44 H new ATOM 219 N GLN A 17 -1.600 13.695 -5.732 1.00 70.45 N ATOM 220 CA GLN A 17 -0.460 14.576 -5.512 1.00 3.04 C ATOM 221 C GLN A 17 -0.429 15.075 -4.071 1.00 25.03 C ATOM 222 O GLN A 17 0.623 15.457 -3.559 1.00 22.14 O ATOM 223 CB GLN A 17 -0.512 15.764 -6.474 1.00 73.20 C ATOM 224 CG GLN A 17 -1.823 16.531 -6.422 1.00 14.40 C ATOM 225 CD GLN A 17 -1.809 17.771 -7.295 1.00 1.15 C ATOM 226 OE1 GLN A 17 -2.171 17.721 -8.470 1.00 62.14 O ATOM 227 NE2 GLN A 17 -1.390 18.893 -6.722 1.00 5.40 N ATOM 0 H GLN A 17 -2.428 14.161 -6.102 1.00 70.45 H new ATOM 0 HA GLN A 17 0.449 14.005 -5.700 1.00 3.04 H new ATOM 0 HB2 GLN A 17 0.307 16.445 -6.242 1.00 73.20 H new ATOM 0 HB3 GLN A 17 -0.350 15.405 -7.491 1.00 73.20 H new ATOM 0 HG2 GLN A 17 -2.635 15.877 -6.740 1.00 14.40 H new ATOM 0 HG3 GLN A 17 -2.030 16.819 -5.391 1.00 14.40 H new ATOM 0 HE21 GLN A 17 -1.099 18.889 -5.744 1.00 5.40 H new ATOM 0 HE22 GLN A 17 -1.359 19.759 -7.259 1.00 5.40 H new ATOM 236 N ALA A 18 -1.589 15.069 -3.422 1.00 43.14 N ATOM 237 CA ALA A 18 -1.694 15.520 -2.040 1.00 64.51 C ATOM 238 C ALA A 18 -1.202 14.447 -1.074 1.00 64.14 C ATOM 239 O ALA A 18 -1.169 14.657 0.138 1.00 50.40 O ATOM 240 CB ALA A 18 -3.130 15.904 -1.718 1.00 31.21 C ATOM 0 H ALA A 18 -2.469 14.757 -3.832 1.00 43.14 H new ATOM 0 HA ALA A 18 -1.059 16.398 -1.921 1.00 64.51 H new ATOM 0 HB1 ALA A 18 -3.194 16.239 -0.683 1.00 31.21 H new ATOM 0 HB2 ALA A 18 -3.449 16.709 -2.380 1.00 31.21 H new ATOM 0 HB3 ALA A 18 -3.778 15.039 -1.860 1.00 31.21 H new ATOM 246 N SER A 19 -0.820 13.296 -1.620 1.00 11.24 N ATOM 247 CA SER A 19 -0.334 12.189 -0.805 1.00 61.43 C ATOM 248 C SER A 19 1.186 12.084 -0.882 1.00 3.41 C ATOM 249 O SER A 19 1.808 11.347 -0.119 1.00 25.13 O ATOM 250 CB SER A 19 -0.970 10.874 -1.262 1.00 12.41 C ATOM 251 OG SER A 19 -1.117 9.975 -0.177 1.00 33.11 O ATOM 0 H SER A 19 -0.838 13.106 -2.622 1.00 11.24 H new ATOM 0 HA SER A 19 -0.616 12.381 0.230 1.00 61.43 H new ATOM 0 HB2 SER A 19 -1.944 11.073 -1.708 1.00 12.41 H new ATOM 0 HB3 SER A 19 -0.353 10.417 -2.036 1.00 12.41 H new ATOM 0 HG SER A 19 -1.527 9.143 -0.494 1.00 33.11 H new ATOM 257 N GLY A 20 1.778 12.829 -1.811 1.00 3.55 N ATOM 258 CA GLY A 20 3.220 12.807 -1.971 1.00 45.21 C ATOM 259 C GLY A 20 3.713 11.524 -2.611 1.00 12.14 C ATOM 260 O GLY A 20 4.779 11.018 -2.261 1.00 74.30 O ATOM 0 H GLY A 20 1.285 13.447 -2.455 1.00 3.55 H new ATOM 0 HA2 GLY A 20 3.528 13.656 -2.582 1.00 45.21 H new ATOM 0 HA3 GLY A 20 3.693 12.928 -0.996 1.00 45.21 H new ATOM 264 N ALA A 21 2.934 10.996 -3.549 1.00 62.22 N ATOM 265 CA ALA A 21 3.297 9.764 -4.239 1.00 3.11 C ATOM 266 C ALA A 21 3.346 9.974 -5.748 1.00 50.15 C ATOM 267 O ALA A 21 2.805 10.943 -6.283 1.00 20.45 O ATOM 268 CB ALA A 21 2.316 8.655 -3.890 1.00 22.23 C ATOM 0 H ALA A 21 2.048 11.402 -3.849 1.00 62.22 H new ATOM 0 HA ALA A 21 4.293 9.471 -3.907 1.00 3.11 H new ATOM 0 HB1 ALA A 21 2.599 7.741 -4.412 1.00 22.23 H new ATOM 0 HB2 ALA A 21 2.334 8.479 -2.814 1.00 22.23 H new ATOM 0 HB3 ALA A 21 1.311 8.949 -4.193 1.00 22.23 H new ATOM 274 N PRO A 22 4.010 9.047 -6.455 1.00 32.24 N ATOM 275 CA PRO A 22 4.145 9.109 -7.913 1.00 11.01 C ATOM 276 C PRO A 22 2.824 8.850 -8.629 1.00 71.11 C ATOM 277 O PRO A 22 2.190 7.813 -8.429 1.00 4.42 O ATOM 278 CB PRO A 22 5.149 7.996 -8.224 1.00 10.31 C ATOM 279 CG PRO A 22 5.013 7.036 -7.093 1.00 1.53 C ATOM 280 CD PRO A 22 4.679 7.866 -5.884 1.00 20.13 C ATOM 0 HA PRO A 22 4.463 10.095 -8.251 1.00 11.01 H new ATOM 0 HB2 PRO A 22 4.927 7.518 -9.178 1.00 10.31 H new ATOM 0 HB3 PRO A 22 6.164 8.386 -8.292 1.00 10.31 H new ATOM 0 HG2 PRO A 22 4.229 6.305 -7.293 1.00 1.53 H new ATOM 0 HG3 PRO A 22 5.937 6.479 -6.941 1.00 1.53 H new ATOM 0 HD2 PRO A 22 4.027 7.329 -5.195 1.00 20.13 H new ATOM 0 HD3 PRO A 22 5.574 8.142 -5.326 1.00 20.13 H new ATOM 288 N VAL A 23 2.413 9.798 -9.465 1.00 43.14 N ATOM 289 CA VAL A 23 1.168 9.671 -10.213 1.00 10.51 C ATOM 290 C VAL A 23 1.252 10.401 -11.549 1.00 2.22 C ATOM 291 O VAL A 23 1.557 11.594 -11.599 1.00 63.43 O ATOM 292 CB VAL A 23 -0.026 10.225 -9.412 1.00 61.04 C ATOM 293 CG1 VAL A 23 -0.576 9.164 -8.471 1.00 43.12 C ATOM 294 CG2 VAL A 23 0.381 11.473 -8.643 1.00 65.52 C ATOM 0 H VAL A 23 2.924 10.663 -9.641 1.00 43.14 H new ATOM 0 HA VAL A 23 1.014 8.607 -10.393 1.00 10.51 H new ATOM 0 HB VAL A 23 -0.815 10.499 -10.112 1.00 61.04 H new ATOM 0 HG11 VAL A 23 -1.419 9.573 -7.914 1.00 43.12 H new ATOM 0 HG12 VAL A 23 -0.908 8.302 -9.049 1.00 43.12 H new ATOM 0 HG13 VAL A 23 0.204 8.856 -7.775 1.00 43.12 H new ATOM 0 HG21 VAL A 23 -0.475 11.851 -8.083 1.00 65.52 H new ATOM 0 HG22 VAL A 23 1.187 11.228 -7.952 1.00 65.52 H new ATOM 0 HG23 VAL A 23 0.722 12.236 -9.342 1.00 65.52 H new ATOM 304 N LEU A 24 0.980 9.678 -12.629 1.00 55.55 N ATOM 305 CA LEU A 24 1.024 10.257 -13.968 1.00 14.01 C ATOM 306 C LEU A 24 -0.380 10.588 -14.465 1.00 31.42 C ATOM 307 O LEU A 24 -1.353 9.933 -14.089 1.00 51.44 O ATOM 308 CB LEU A 24 1.707 9.293 -14.939 1.00 71.04 C ATOM 309 CG LEU A 24 2.117 9.880 -16.291 1.00 34.14 C ATOM 310 CD1 LEU A 24 3.631 9.913 -16.421 1.00 4.52 C ATOM 311 CD2 LEU A 24 1.499 9.080 -17.429 1.00 2.34 C ATOM 0 H LEU A 24 0.727 8.690 -12.605 1.00 55.55 H new ATOM 0 HA LEU A 24 1.599 11.182 -13.919 1.00 14.01 H new ATOM 0 HB2 LEU A 24 2.597 8.891 -14.455 1.00 71.04 H new ATOM 0 HB3 LEU A 24 1.036 8.453 -15.119 1.00 71.04 H new ATOM 0 HG LEU A 24 1.746 10.903 -16.349 1.00 34.14 H new ATOM 0 HD11 LEU A 24 3.904 10.334 -17.389 1.00 4.52 H new ATOM 0 HD12 LEU A 24 4.051 10.529 -15.626 1.00 4.52 H new ATOM 0 HD13 LEU A 24 4.025 8.900 -16.341 1.00 4.52 H new ATOM 0 HD21 LEU A 24 1.801 9.512 -18.383 1.00 2.34 H new ATOM 0 HD22 LEU A 24 1.840 8.046 -17.374 1.00 2.34 H new ATOM 0 HD23 LEU A 24 0.413 9.109 -17.346 1.00 2.34 H new ATOM 323 N VAL A 25 -0.477 11.606 -15.313 1.00 55.32 N ATOM 324 CA VAL A 25 -1.762 12.022 -15.865 1.00 24.13 C ATOM 325 C VAL A 25 -1.767 11.916 -17.386 1.00 4.34 C ATOM 326 O VAL A 25 -0.840 12.376 -18.053 1.00 62.00 O ATOM 327 CB VAL A 25 -2.104 13.468 -15.460 1.00 54.03 C ATOM 328 CG1 VAL A 25 -3.513 13.828 -15.908 1.00 43.34 C ATOM 329 CG2 VAL A 25 -1.951 13.651 -13.958 1.00 42.40 C ATOM 0 H VAL A 25 0.318 12.159 -15.633 1.00 55.32 H new ATOM 0 HA VAL A 25 -2.516 11.350 -15.455 1.00 24.13 H new ATOM 0 HB VAL A 25 -1.406 14.141 -15.958 1.00 54.03 H new ATOM 0 HG11 VAL A 25 -3.738 14.853 -15.613 1.00 43.34 H new ATOM 0 HG12 VAL A 25 -3.584 13.738 -16.992 1.00 43.34 H new ATOM 0 HG13 VAL A 25 -4.228 13.151 -15.440 1.00 43.34 H new ATOM 0 HG21 VAL A 25 -2.197 14.679 -13.690 1.00 42.40 H new ATOM 0 HG22 VAL A 25 -2.624 12.969 -13.438 1.00 42.40 H new ATOM 0 HG23 VAL A 25 -0.922 13.436 -13.668 1.00 42.40 H new ATOM 339 N ASP A 26 -2.816 11.308 -17.927 1.00 52.53 N ATOM 340 CA ASP A 26 -2.943 11.144 -19.371 1.00 34.53 C ATOM 341 C ASP A 26 -4.395 11.307 -19.810 1.00 70.34 C ATOM 342 O ASP A 26 -5.205 10.390 -19.667 1.00 43.53 O ATOM 343 CB ASP A 26 -2.420 9.771 -19.797 1.00 4.23 C ATOM 344 CG ASP A 26 -1.656 9.824 -21.105 1.00 63.22 C ATOM 345 OD1 ASP A 26 -0.414 9.687 -21.074 1.00 15.50 O ATOM 346 OD2 ASP A 26 -2.299 10.000 -22.161 1.00 11.34 O ATOM 0 H ASP A 26 -3.591 10.920 -17.388 1.00 52.53 H new ATOM 0 HA ASP A 26 -2.347 11.918 -19.854 1.00 34.53 H new ATOM 0 HB2 ASP A 26 -1.771 9.374 -19.016 1.00 4.23 H new ATOM 0 HB3 ASP A 26 -3.258 9.081 -19.896 1.00 4.23 H new ATOM 351 N VAL A 27 -4.718 12.480 -20.345 1.00 63.04 N ATOM 352 CA VAL A 27 -6.072 12.764 -20.806 1.00 64.31 C ATOM 353 C VAL A 27 -6.399 11.975 -22.069 1.00 31.53 C ATOM 354 O VAL A 27 -5.518 11.688 -22.880 1.00 35.40 O ATOM 355 CB VAL A 27 -6.266 14.265 -21.088 1.00 5.52 C ATOM 356 CG1 VAL A 27 -7.745 14.600 -21.209 1.00 65.41 C ATOM 357 CG2 VAL A 27 -5.609 15.100 -19.999 1.00 15.54 C ATOM 0 H VAL A 27 -4.060 13.249 -20.470 1.00 63.04 H new ATOM 0 HA VAL A 27 -6.748 12.462 -20.006 1.00 64.31 H new ATOM 0 HB VAL A 27 -5.786 14.504 -22.037 1.00 5.52 H new ATOM 0 HG11 VAL A 27 -7.862 15.665 -21.408 1.00 65.41 H new ATOM 0 HG12 VAL A 27 -8.182 14.028 -22.027 1.00 65.41 H new ATOM 0 HG13 VAL A 27 -8.253 14.347 -20.278 1.00 65.41 H new ATOM 0 HG21 VAL A 27 -5.756 16.159 -20.214 1.00 15.54 H new ATOM 0 HG22 VAL A 27 -6.058 14.860 -19.035 1.00 15.54 H new ATOM 0 HG23 VAL A 27 -4.542 14.881 -19.966 1.00 15.54 H new ATOM 367 N TYR A 28 -7.671 11.627 -22.229 1.00 30.31 N ATOM 368 CA TYR A 28 -8.115 10.869 -23.392 1.00 74.54 C ATOM 369 C TYR A 28 -9.522 11.287 -23.811 1.00 4.12 C ATOM 370 O TYR A 28 -10.302 11.781 -22.998 1.00 1.43 O ATOM 371 CB TYR A 28 -8.086 9.369 -23.092 1.00 3.01 C ATOM 372 CG TYR A 28 -9.428 8.693 -23.253 1.00 34.44 C ATOM 373 CD1 TYR A 28 -10.333 8.641 -22.199 1.00 41.40 C ATOM 374 CD2 TYR A 28 -9.792 8.104 -24.457 1.00 72.13 C ATOM 375 CE1 TYR A 28 -11.561 8.024 -22.341 1.00 24.11 C ATOM 376 CE2 TYR A 28 -11.018 7.486 -24.609 1.00 32.43 C ATOM 377 CZ TYR A 28 -11.899 7.448 -23.548 1.00 23.03 C ATOM 378 OH TYR A 28 -13.120 6.832 -23.694 1.00 74.30 O ATOM 0 H TYR A 28 -8.413 11.858 -21.568 1.00 30.31 H new ATOM 0 HA TYR A 28 -7.432 11.082 -24.214 1.00 74.54 H new ATOM 0 HB2 TYR A 28 -7.365 8.889 -23.754 1.00 3.01 H new ATOM 0 HB3 TYR A 28 -7.733 9.218 -22.072 1.00 3.01 H new ATOM 0 HD1 TYR A 28 -10.072 9.091 -21.253 1.00 41.40 H new ATOM 0 HD2 TYR A 28 -9.104 8.130 -25.289 1.00 72.13 H new ATOM 0 HE1 TYR A 28 -12.252 7.993 -21.512 1.00 24.11 H new ATOM 0 HE2 TYR A 28 -11.285 7.035 -25.553 1.00 32.43 H new ATOM 0 HH TYR A 28 -13.202 6.479 -24.605 1.00 74.30 H new ATOM 388 N ALA A 29 -9.837 11.084 -25.086 1.00 14.33 N ATOM 389 CA ALA A 29 -11.150 11.437 -25.613 1.00 44.31 C ATOM 390 C ALA A 29 -11.568 10.485 -26.728 1.00 65.21 C ATOM 391 O ALA A 29 -10.835 9.557 -27.072 1.00 33.44 O ATOM 392 CB ALA A 29 -11.147 12.873 -26.116 1.00 53.32 C ATOM 0 H ALA A 29 -9.202 10.677 -25.773 1.00 14.33 H new ATOM 0 HA ALA A 29 -11.875 11.348 -24.804 1.00 44.31 H new ATOM 0 HB1 ALA A 29 -12.133 13.124 -26.507 1.00 53.32 H new ATOM 0 HB2 ALA A 29 -10.900 13.546 -25.295 1.00 53.32 H new ATOM 0 HB3 ALA A 29 -10.405 12.980 -26.908 1.00 53.32 H new ATOM 398 N ASP A 30 -12.748 10.720 -27.289 1.00 55.11 N ATOM 399 CA ASP A 30 -13.264 9.883 -28.366 1.00 62.21 C ATOM 400 C ASP A 30 -12.123 9.305 -29.198 1.00 74.50 C ATOM 401 O ASP A 30 -11.757 8.140 -29.042 1.00 72.41 O ATOM 402 CB ASP A 30 -14.207 10.689 -29.261 1.00 24.21 C ATOM 403 CG ASP A 30 -15.625 10.723 -28.726 1.00 4.13 C ATOM 404 OD1 ASP A 30 -16.566 10.810 -29.542 1.00 44.44 O ATOM 405 OD2 ASP A 30 -15.794 10.662 -27.490 1.00 65.31 O ATOM 0 H ASP A 30 -13.366 11.484 -27.016 1.00 55.11 H new ATOM 0 HA ASP A 30 -13.818 9.058 -27.918 1.00 62.21 H new ATOM 0 HB2 ASP A 30 -13.832 11.708 -29.354 1.00 24.21 H new ATOM 0 HB3 ASP A 30 -14.210 10.258 -30.262 1.00 24.21 H new ATOM 410 N TRP A 31 -11.567 10.125 -30.082 1.00 15.55 N ATOM 411 CA TRP A 31 -10.469 9.695 -30.939 1.00 71.21 C ATOM 412 C TRP A 31 -9.727 10.895 -31.517 1.00 71.22 C ATOM 413 O TRP A 31 -9.453 10.948 -32.717 1.00 32.32 O ATOM 414 CB TRP A 31 -10.995 8.811 -32.071 1.00 52.13 C ATOM 415 CG TRP A 31 -9.955 7.895 -32.642 1.00 51.32 C ATOM 416 CD1 TRP A 31 -9.093 7.098 -31.945 1.00 34.23 C ATOM 417 CD2 TRP A 31 -9.667 7.685 -34.029 1.00 22.43 C ATOM 418 NE1 TRP A 31 -8.287 6.404 -32.814 1.00 44.01 N ATOM 419 CE2 TRP A 31 -8.619 6.746 -34.098 1.00 70.33 C ATOM 420 CE3 TRP A 31 -10.193 8.196 -35.218 1.00 21.00 C ATOM 421 CZ2 TRP A 31 -8.089 6.311 -35.310 1.00 60.21 C ATOM 422 CZ3 TRP A 31 -9.666 7.764 -36.420 1.00 25.42 C ATOM 423 CH2 TRP A 31 -8.623 6.828 -36.459 1.00 0.11 C ATOM 0 H TRP A 31 -11.859 11.092 -30.224 1.00 15.55 H new ATOM 0 HA TRP A 31 -9.771 9.119 -30.332 1.00 71.21 H new ATOM 0 HB2 TRP A 31 -11.829 8.215 -31.700 1.00 52.13 H new ATOM 0 HB3 TRP A 31 -11.386 9.446 -32.866 1.00 52.13 H new ATOM 0 HD1 TRP A 31 -9.051 7.024 -30.868 1.00 34.23 H new ATOM 0 HE1 TRP A 31 -7.559 5.741 -32.546 1.00 44.01 H new ATOM 0 HE3 TRP A 31 -10.998 8.916 -35.198 1.00 21.00 H new ATOM 0 HZ2 TRP A 31 -7.285 5.591 -35.342 1.00 60.21 H new ATOM 0 HZ3 TRP A 31 -10.064 8.154 -37.345 1.00 25.42 H new ATOM 0 HH2 TRP A 31 -8.233 6.509 -37.414 1.00 0.11 H new ATOM 434 N CYS A 32 -9.404 11.855 -30.658 1.00 53.11 N ATOM 435 CA CYS A 32 -8.694 13.055 -31.085 1.00 2.43 C ATOM 436 C CYS A 32 -7.310 12.706 -31.623 1.00 31.22 C ATOM 437 O CYS A 32 -6.811 11.594 -31.447 1.00 75.13 O ATOM 438 CB CYS A 32 -8.568 14.040 -29.921 1.00 20.52 C ATOM 439 SG CYS A 32 -9.751 15.405 -29.978 1.00 15.33 S ATOM 0 H CYS A 32 -9.622 11.826 -29.662 1.00 53.11 H new ATOM 0 HA CYS A 32 -9.268 13.521 -31.886 1.00 2.43 H new ATOM 0 HB2 CYS A 32 -8.700 13.498 -28.985 1.00 20.52 H new ATOM 0 HB3 CYS A 32 -7.558 14.449 -29.913 1.00 20.52 H new ATOM 0 HG CYS A 32 -9.567 16.182 -28.952 1.00 15.33 H new ATOM 445 N PRO A 33 -6.674 13.676 -32.296 1.00 12.22 N ATOM 446 CA PRO A 33 -5.340 13.494 -32.875 1.00 3.44 C ATOM 447 C PRO A 33 -4.255 13.388 -31.808 1.00 41.23 C ATOM 448 O PRO A 33 -3.145 12.932 -32.081 1.00 63.52 O ATOM 449 CB PRO A 33 -5.142 14.759 -33.714 1.00 70.25 C ATOM 450 CG PRO A 33 -6.021 15.778 -33.077 1.00 12.53 C ATOM 451 CD PRO A 33 -7.209 15.026 -32.543 1.00 63.12 C ATOM 0 HA PRO A 33 -5.267 12.570 -33.448 1.00 3.44 H new ATOM 0 HB2 PRO A 33 -4.100 15.077 -33.710 1.00 70.25 H new ATOM 0 HB3 PRO A 33 -5.420 14.591 -34.755 1.00 70.25 H new ATOM 0 HG2 PRO A 33 -5.497 16.299 -32.276 1.00 12.53 H new ATOM 0 HG3 PRO A 33 -6.330 16.533 -33.800 1.00 12.53 H new ATOM 0 HD2 PRO A 33 -7.594 15.479 -31.630 1.00 63.12 H new ATOM 0 HD3 PRO A 33 -8.029 15.008 -33.261 1.00 63.12 H new ATOM 459 N VAL A 34 -4.583 13.812 -30.592 1.00 53.51 N ATOM 460 CA VAL A 34 -3.637 13.763 -29.484 1.00 12.41 C ATOM 461 C VAL A 34 -3.558 12.361 -28.891 1.00 3.22 C ATOM 462 O VAL A 34 -2.487 11.753 -28.850 1.00 54.21 O ATOM 463 CB VAL A 34 -4.022 14.758 -28.373 1.00 33.14 C ATOM 464 CG1 VAL A 34 -3.175 16.018 -28.466 1.00 23.53 C ATOM 465 CG2 VAL A 34 -5.504 15.095 -28.450 1.00 43.31 C ATOM 0 H VAL A 34 -5.497 14.194 -30.349 1.00 53.51 H new ATOM 0 HA VAL A 34 -2.663 14.039 -29.887 1.00 12.41 H new ATOM 0 HB VAL A 34 -3.828 14.290 -27.408 1.00 33.14 H new ATOM 0 HG11 VAL A 34 -3.462 16.709 -27.673 1.00 23.53 H new ATOM 0 HG12 VAL A 34 -2.122 15.758 -28.357 1.00 23.53 H new ATOM 0 HG13 VAL A 34 -3.333 16.492 -29.435 1.00 23.53 H new ATOM 0 HG21 VAL A 34 -5.759 15.799 -27.658 1.00 43.31 H new ATOM 0 HG22 VAL A 34 -5.725 15.543 -29.419 1.00 43.31 H new ATOM 0 HG23 VAL A 34 -6.091 14.185 -28.329 1.00 43.31 H new ATOM 475 N CYS A 35 -4.696 11.853 -28.433 1.00 14.54 N ATOM 476 CA CYS A 35 -4.756 10.522 -27.841 1.00 32.43 C ATOM 477 C CYS A 35 -4.520 9.446 -28.896 1.00 54.44 C ATOM 478 O CYS A 35 -3.998 8.372 -28.598 1.00 73.14 O ATOM 479 CB CYS A 35 -6.110 10.302 -27.165 1.00 34.41 C ATOM 480 SG CYS A 35 -6.455 8.577 -26.747 1.00 75.55 S ATOM 0 H CYS A 35 -5.590 12.343 -28.460 1.00 14.54 H new ATOM 0 HA CYS A 35 -3.968 10.449 -27.092 1.00 32.43 H new ATOM 0 HB2 CYS A 35 -6.151 10.900 -26.255 1.00 34.41 H new ATOM 0 HB3 CYS A 35 -6.897 10.669 -27.824 1.00 34.41 H new ATOM 0 HG CYS A 35 -5.507 7.819 -27.214 1.00 75.55 H new ATOM 486 N LYS A 36 -4.910 9.742 -30.132 1.00 0.22 N ATOM 487 CA LYS A 36 -4.742 8.802 -31.233 1.00 71.33 C ATOM 488 C LYS A 36 -3.274 8.684 -31.629 1.00 24.41 C ATOM 489 O LYS A 36 -2.805 7.606 -31.996 1.00 41.23 O ATOM 490 CB LYS A 36 -5.572 9.245 -32.440 1.00 73.42 C ATOM 491 CG LYS A 36 -5.312 8.424 -33.691 1.00 74.35 C ATOM 492 CD LYS A 36 -4.348 9.129 -34.631 1.00 20.55 C ATOM 493 CE LYS A 36 -3.896 8.211 -35.756 1.00 44.23 C ATOM 494 NZ LYS A 36 -4.015 8.867 -37.088 1.00 31.00 N ATOM 0 H LYS A 36 -5.345 10.626 -30.396 1.00 0.22 H new ATOM 0 HA LYS A 36 -5.090 7.824 -30.899 1.00 71.33 H new ATOM 0 HB2 LYS A 36 -6.630 9.180 -32.186 1.00 73.42 H new ATOM 0 HB3 LYS A 36 -5.359 10.293 -32.652 1.00 73.42 H new ATOM 0 HG2 LYS A 36 -4.904 7.453 -33.411 1.00 74.35 H new ATOM 0 HG3 LYS A 36 -6.254 8.238 -34.207 1.00 74.35 H new ATOM 0 HD2 LYS A 36 -4.829 10.012 -35.052 1.00 20.55 H new ATOM 0 HD3 LYS A 36 -3.479 9.475 -34.071 1.00 20.55 H new ATOM 0 HE2 LYS A 36 -2.861 7.914 -35.589 1.00 44.23 H new ATOM 0 HE3 LYS A 36 -4.495 7.300 -35.745 1.00 44.23 H new ATOM 0 HZ1 LYS A 36 -3.697 8.209 -37.828 1.00 31.00 H new ATOM 0 HZ2 LYS A 36 -5.007 9.128 -37.259 1.00 31.00 H new ATOM 0 HZ3 LYS A 36 -3.424 9.722 -37.108 1.00 31.00 H new ATOM 508 N ARG A 37 -2.553 9.797 -31.550 1.00 2.32 N ATOM 509 CA ARG A 37 -1.138 9.818 -31.899 1.00 65.23 C ATOM 510 C ARG A 37 -0.274 9.462 -30.692 1.00 52.44 C ATOM 511 O ARG A 37 0.868 9.029 -30.841 1.00 50.11 O ATOM 512 CB ARG A 37 -0.742 11.195 -32.434 1.00 54.44 C ATOM 513 CG ARG A 37 -1.312 11.501 -33.810 1.00 34.10 C ATOM 514 CD ARG A 37 -0.906 12.887 -34.286 1.00 64.44 C ATOM 515 NE ARG A 37 -1.145 13.066 -35.716 1.00 10.12 N ATOM 516 CZ ARG A 37 -0.335 12.602 -36.661 1.00 3.24 C ATOM 517 NH1 ARG A 37 0.761 11.934 -36.329 1.00 44.12 N ATOM 518 NH2 ARG A 37 -0.621 12.806 -37.940 1.00 63.23 N ATOM 0 H ARG A 37 -2.926 10.697 -31.247 1.00 2.32 H new ATOM 0 HA ARG A 37 -0.971 9.072 -32.676 1.00 65.23 H new ATOM 0 HB2 ARG A 37 -1.079 11.958 -31.733 1.00 54.44 H new ATOM 0 HB3 ARG A 37 0.345 11.260 -32.478 1.00 54.44 H new ATOM 0 HG2 ARG A 37 -0.964 10.754 -34.523 1.00 34.10 H new ATOM 0 HG3 ARG A 37 -2.399 11.430 -33.779 1.00 34.10 H new ATOM 0 HD2 ARG A 37 -1.463 13.640 -33.728 1.00 64.44 H new ATOM 0 HD3 ARG A 37 0.150 13.049 -34.072 1.00 64.44 H new ATOM 0 HE ARG A 37 -1.980 13.575 -36.005 1.00 10.12 H new ATOM 0 HH11 ARG A 37 0.984 11.775 -35.346 1.00 44.12 H new ATOM 0 HH12 ARG A 37 1.382 11.579 -37.056 1.00 44.12 H new ATOM 0 HH21 ARG A 37 -1.463 13.320 -38.199 1.00 63.23 H new ATOM 0 HH22 ARG A 37 0.002 12.449 -38.665 1.00 63.23 H new ATOM 532 N GLN A 38 -0.829 9.650 -29.499 1.00 63.50 N ATOM 533 CA GLN A 38 -0.108 9.350 -28.267 1.00 75.32 C ATOM 534 C GLN A 38 -0.206 7.866 -27.927 1.00 0.21 C ATOM 535 O GLN A 38 0.637 7.328 -27.211 1.00 23.15 O ATOM 536 CB GLN A 38 -0.660 10.187 -27.112 1.00 52.32 C ATOM 537 CG GLN A 38 -0.002 9.888 -25.775 1.00 34.41 C ATOM 538 CD GLN A 38 0.221 11.134 -24.942 1.00 41.40 C ATOM 539 OE1 GLN A 38 -0.729 11.814 -24.553 1.00 34.53 O ATOM 540 NE2 GLN A 38 1.482 11.442 -24.664 1.00 4.54 N ATOM 0 H GLN A 38 -1.774 10.008 -29.359 1.00 63.50 H new ATOM 0 HA GLN A 38 0.942 9.601 -28.419 1.00 75.32 H new ATOM 0 HB2 GLN A 38 -0.528 11.244 -27.344 1.00 52.32 H new ATOM 0 HB3 GLN A 38 -1.732 10.011 -27.027 1.00 52.32 H new ATOM 0 HG2 GLN A 38 -0.625 9.189 -25.216 1.00 34.41 H new ATOM 0 HG3 GLN A 38 0.955 9.395 -25.948 1.00 34.41 H new ATOM 0 HE21 GLN A 38 2.239 10.850 -25.007 1.00 4.54 H new ATOM 0 HE22 GLN A 38 1.694 12.270 -24.108 1.00 4.54 H new ATOM 549 N GLU A 39 -1.240 7.212 -28.445 1.00 75.24 N ATOM 550 CA GLU A 39 -1.448 5.790 -28.195 1.00 2.43 C ATOM 551 C GLU A 39 -0.248 4.974 -28.666 1.00 4.13 C ATOM 552 O GLU A 39 0.022 3.891 -28.147 1.00 33.41 O ATOM 553 CB GLU A 39 -2.717 5.305 -28.899 1.00 45.31 C ATOM 554 CG GLU A 39 -2.560 5.161 -30.404 1.00 31.25 C ATOM 555 CD GLU A 39 -2.277 3.732 -30.826 1.00 42.41 C ATOM 556 OE1 GLU A 39 -2.533 3.400 -32.002 1.00 54.45 O ATOM 557 OE2 GLU A 39 -1.799 2.947 -29.981 1.00 70.23 O ATOM 0 H GLU A 39 -1.947 7.643 -29.040 1.00 75.24 H new ATOM 0 HA GLU A 39 -1.562 5.649 -27.120 1.00 2.43 H new ATOM 0 HB2 GLU A 39 -3.011 4.343 -28.479 1.00 45.31 H new ATOM 0 HB3 GLU A 39 -3.527 6.004 -28.692 1.00 45.31 H new ATOM 0 HG2 GLU A 39 -3.469 5.508 -30.895 1.00 31.25 H new ATOM 0 HG3 GLU A 39 -1.748 5.804 -30.744 1.00 31.25 H new ATOM 564 N ARG A 40 0.469 5.502 -29.652 1.00 41.25 N ATOM 565 CA ARG A 40 1.639 4.823 -30.195 1.00 62.43 C ATOM 566 C ARG A 40 2.827 4.941 -29.244 1.00 54.24 C ATOM 567 O ARG A 40 3.670 4.048 -29.176 1.00 1.01 O ATOM 568 CB ARG A 40 2.006 5.405 -31.561 1.00 51.53 C ATOM 569 CG ARG A 40 3.401 5.027 -32.030 1.00 61.35 C ATOM 570 CD ARG A 40 4.401 6.140 -31.760 1.00 61.03 C ATOM 571 NE ARG A 40 5.479 6.159 -32.746 1.00 31.44 N ATOM 572 CZ ARG A 40 5.339 6.633 -33.978 1.00 45.14 C ATOM 573 NH1 ARG A 40 4.174 7.126 -34.375 1.00 22.12 N ATOM 574 NH2 ARG A 40 6.367 6.616 -34.818 1.00 23.25 N ATOM 0 H ARG A 40 0.260 6.398 -30.091 1.00 41.25 H new ATOM 0 HA ARG A 40 1.393 3.768 -30.312 1.00 62.43 H new ATOM 0 HB2 ARG A 40 1.279 5.064 -32.299 1.00 51.53 H new ATOM 0 HB3 ARG A 40 1.929 6.491 -31.516 1.00 51.53 H new ATOM 0 HG2 ARG A 40 3.722 4.117 -31.523 1.00 61.35 H new ATOM 0 HG3 ARG A 40 3.380 4.807 -33.097 1.00 61.35 H new ATOM 0 HD2 ARG A 40 3.885 7.100 -31.768 1.00 61.03 H new ATOM 0 HD3 ARG A 40 4.824 6.014 -30.763 1.00 61.03 H new ATOM 0 HE ARG A 40 6.389 5.788 -32.473 1.00 31.44 H new ATOM 0 HH11 ARG A 40 3.382 7.142 -33.733 1.00 22.12 H new ATOM 0 HH12 ARG A 40 4.070 7.489 -35.322 1.00 22.12 H new ATOM 0 HH21 ARG A 40 7.265 6.238 -34.517 1.00 23.25 H new ATOM 0 HH22 ARG A 40 6.258 6.980 -35.764 1.00 23.25 H new ATOM 588 N GLU A 41 2.885 6.050 -28.514 1.00 14.34 N ATOM 589 CA GLU A 41 3.970 6.285 -27.568 1.00 54.41 C ATOM 590 C GLU A 41 3.708 5.563 -26.249 1.00 41.44 C ATOM 591 O GLU A 41 4.555 5.554 -25.355 1.00 61.21 O ATOM 592 CB GLU A 41 4.140 7.785 -27.316 1.00 61.11 C ATOM 593 CG GLU A 41 4.871 8.511 -28.433 1.00 72.33 C ATOM 594 CD GLU A 41 5.135 9.968 -28.107 1.00 60.24 C ATOM 595 OE1 GLU A 41 6.160 10.504 -28.578 1.00 70.05 O ATOM 596 OE2 GLU A 41 4.318 10.572 -27.382 1.00 31.34 O ATOM 0 H GLU A 41 2.194 6.799 -28.559 1.00 14.34 H new ATOM 0 HA GLU A 41 4.888 5.890 -28.002 1.00 54.41 H new ATOM 0 HB2 GLU A 41 3.157 8.236 -27.183 1.00 61.11 H new ATOM 0 HB3 GLU A 41 4.685 7.929 -26.383 1.00 61.11 H new ATOM 0 HG2 GLU A 41 5.819 8.009 -28.628 1.00 72.33 H new ATOM 0 HG3 GLU A 41 4.282 8.448 -29.348 1.00 72.33 H new ATOM 603 N LEU A 42 2.530 4.960 -26.136 1.00 10.33 N ATOM 604 CA LEU A 42 2.155 4.236 -24.926 1.00 61.54 C ATOM 605 C LEU A 42 3.144 3.111 -24.637 1.00 71.20 C ATOM 606 O LEU A 42 3.216 2.605 -23.516 1.00 43.33 O ATOM 607 CB LEU A 42 0.743 3.665 -25.067 1.00 71.23 C ATOM 608 CG LEU A 42 0.347 2.594 -24.050 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.303 3.181 -22.648 1.00 34.44 C ATOM 610 CD2 LEU A 42 -0.997 1.981 -24.416 1.00 63.05 C ATOM 0 H LEU A 42 1.818 4.958 -26.867 1.00 10.33 H new ATOM 0 HA LEU A 42 2.175 4.937 -24.091 1.00 61.54 H new ATOM 0 HB2 LEU A 42 0.031 4.487 -24.994 1.00 71.23 H new ATOM 0 HB3 LEU A 42 0.642 3.243 -26.067 1.00 71.23 H new ATOM 0 HG LEU A 42 1.100 1.806 -24.069 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.019 2.405 -21.937 1.00 34.44 H new ATOM 0 HD12 LEU A 42 1.286 3.571 -22.386 1.00 34.44 H new ATOM 0 HD13 LEU A 42 -0.429 3.988 -22.614 1.00 34.44 H new ATOM 0 HD21 LEU A 42 -1.262 1.221 -23.681 1.00 63.05 H new ATOM 0 HD22 LEU A 42 -1.761 2.758 -24.426 1.00 63.05 H new ATOM 0 HD23 LEU A 42 -0.932 1.524 -25.403 1.00 63.05 H new ATOM 622 N THR A 43 3.907 2.724 -25.655 1.00 34.32 N ATOM 623 CA THR A 43 4.892 1.660 -25.510 1.00 62.11 C ATOM 624 C THR A 43 6.143 2.162 -24.799 1.00 2.44 C ATOM 625 O THR A 43 6.488 1.713 -23.706 1.00 31.34 O ATOM 626 CB THR A 43 5.293 1.075 -26.878 1.00 10.53 C ATOM 627 OG1 THR A 43 4.684 1.831 -27.931 1.00 5.32 O ATOM 628 CG2 THR A 43 4.875 -0.383 -26.986 1.00 72.15 C ATOM 0 H THR A 43 3.861 3.132 -26.589 1.00 34.32 H new ATOM 0 HA THR A 43 4.426 0.878 -24.911 1.00 62.11 H new ATOM 0 HB THR A 43 6.378 1.133 -26.970 1.00 10.53 H new ATOM 0 HG1 THR A 43 4.945 1.454 -28.797 1.00 5.32 H new ATOM 0 HG21 THR A 43 5.168 -0.774 -27.960 1.00 72.15 H new ATOM 0 HG22 THR A 43 5.363 -0.961 -26.201 1.00 72.15 H new ATOM 0 HG23 THR A 43 3.793 -0.461 -26.875 1.00 72.15 H new ATOM 636 N PRO A 44 6.841 3.118 -25.430 1.00 53.15 N ATOM 637 CA PRO A 44 8.064 3.703 -24.875 1.00 3.53 C ATOM 638 C PRO A 44 7.788 4.575 -23.655 1.00 14.24 C ATOM 639 O PRO A 44 8.562 4.585 -22.697 1.00 21.41 O ATOM 640 CB PRO A 44 8.606 4.553 -26.027 1.00 62.00 C ATOM 641 CG PRO A 44 7.409 4.885 -26.849 1.00 33.32 C ATOM 642 CD PRO A 44 6.488 3.701 -26.736 1.00 2.11 C ATOM 0 HA PRO A 44 8.759 2.939 -24.527 1.00 3.53 H new ATOM 0 HB2 PRO A 44 9.095 5.454 -25.658 1.00 62.00 H new ATOM 0 HB3 PRO A 44 9.346 4.005 -26.609 1.00 62.00 H new ATOM 0 HG2 PRO A 44 6.925 5.792 -26.486 1.00 33.32 H new ATOM 0 HG3 PRO A 44 7.687 5.066 -27.887 1.00 33.32 H new ATOM 0 HD2 PRO A 44 5.441 4.001 -26.772 1.00 2.11 H new ATOM 0 HD3 PRO A 44 6.644 2.991 -27.548 1.00 2.11 H new ATOM 650 N LEU A 45 6.679 5.306 -23.695 1.00 1.31 N ATOM 651 CA LEU A 45 6.300 6.182 -22.591 1.00 75.25 C ATOM 652 C LEU A 45 5.963 5.371 -21.344 1.00 52.01 C ATOM 653 O LEU A 45 6.060 5.869 -20.222 1.00 51.03 O ATOM 654 CB LEU A 45 5.103 7.047 -22.990 1.00 14.14 C ATOM 655 CG LEU A 45 4.566 7.987 -21.910 1.00 55.41 C ATOM 656 CD1 LEU A 45 4.416 9.398 -22.457 1.00 53.45 C ATOM 657 CD2 LEU A 45 3.236 7.478 -21.372 1.00 42.14 C ATOM 0 H LEU A 45 6.027 5.310 -24.479 1.00 1.31 H new ATOM 0 HA LEU A 45 7.148 6.828 -22.363 1.00 75.25 H new ATOM 0 HB2 LEU A 45 5.385 7.645 -23.857 1.00 14.14 H new ATOM 0 HB3 LEU A 45 4.294 6.389 -23.306 1.00 14.14 H new ATOM 0 HG LEU A 45 5.282 8.011 -21.089 1.00 55.41 H new ATOM 0 HD11 LEU A 45 4.033 10.053 -21.674 1.00 53.45 H new ATOM 0 HD12 LEU A 45 5.387 9.763 -22.793 1.00 53.45 H new ATOM 0 HD13 LEU A 45 3.721 9.391 -23.297 1.00 53.45 H new ATOM 0 HD21 LEU A 45 2.869 8.160 -20.605 1.00 42.14 H new ATOM 0 HD22 LEU A 45 2.512 7.423 -22.185 1.00 42.14 H new ATOM 0 HD23 LEU A 45 3.373 6.486 -20.941 1.00 42.14 H new ATOM 669 N PHE A 46 5.569 4.118 -21.548 1.00 13.35 N ATOM 670 CA PHE A 46 5.219 3.237 -20.439 1.00 52.53 C ATOM 671 C PHE A 46 6.222 2.095 -20.315 1.00 64.20 C ATOM 672 O PHE A 46 5.968 1.102 -19.634 1.00 75.00 O ATOM 673 CB PHE A 46 3.809 2.675 -20.633 1.00 23.52 C ATOM 674 CG PHE A 46 3.205 2.126 -19.372 1.00 73.32 C ATOM 675 CD1 PHE A 46 2.720 2.977 -18.393 1.00 3.35 C ATOM 676 CD2 PHE A 46 3.121 0.758 -19.167 1.00 22.14 C ATOM 677 CE1 PHE A 46 2.163 2.476 -17.231 1.00 70.44 C ATOM 678 CE2 PHE A 46 2.565 0.250 -18.008 1.00 14.41 C ATOM 679 CZ PHE A 46 2.086 1.110 -17.039 1.00 0.25 C ATOM 0 H PHE A 46 5.484 3.690 -22.470 1.00 13.35 H new ATOM 0 HA PHE A 46 5.246 3.822 -19.519 1.00 52.53 H new ATOM 0 HB2 PHE A 46 3.163 3.462 -21.023 1.00 23.52 H new ATOM 0 HB3 PHE A 46 3.841 1.886 -21.385 1.00 23.52 H new ATOM 0 HD1 PHE A 46 2.778 4.046 -18.539 1.00 3.35 H new ATOM 0 HD2 PHE A 46 3.494 0.081 -19.921 1.00 22.14 H new ATOM 0 HE1 PHE A 46 1.789 3.151 -16.475 1.00 70.44 H new ATOM 0 HE2 PHE A 46 2.505 -0.818 -17.860 1.00 14.41 H new ATOM 0 HZ PHE A 46 1.652 0.715 -16.132 1.00 0.25 H new ATOM 689 N ALA A 47 7.364 2.243 -20.979 1.00 1.21 N ATOM 690 CA ALA A 47 8.407 1.225 -20.942 1.00 51.53 C ATOM 691 C ALA A 47 9.562 1.655 -20.043 1.00 74.34 C ATOM 692 O ALA A 47 10.542 0.927 -19.888 1.00 34.14 O ATOM 693 CB ALA A 47 8.910 0.935 -22.348 1.00 61.44 C ATOM 0 H ALA A 47 7.590 3.058 -21.549 1.00 1.21 H new ATOM 0 HA ALA A 47 7.977 0.314 -20.526 1.00 51.53 H new ATOM 0 HB1 ALA A 47 9.688 0.173 -22.306 1.00 61.44 H new ATOM 0 HB2 ALA A 47 8.085 0.577 -22.963 1.00 61.44 H new ATOM 0 HB3 ALA A 47 9.318 1.847 -22.784 1.00 61.44 H new ATOM 699 N GLN A 48 9.439 2.840 -19.456 1.00 13.35 N ATOM 700 CA GLN A 48 10.474 3.366 -18.573 1.00 52.03 C ATOM 701 C GLN A 48 10.598 2.516 -17.313 1.00 64.03 C ATOM 702 O GLN A 48 9.636 1.903 -16.851 1.00 60.20 O ATOM 703 CB GLN A 48 10.164 4.816 -18.196 1.00 62.23 C ATOM 704 CG GLN A 48 9.931 5.720 -19.396 1.00 32.11 C ATOM 705 CD GLN A 48 11.105 5.733 -20.354 1.00 63.43 C ATOM 706 OE1 GLN A 48 12.206 5.299 -20.012 1.00 12.54 O ATOM 707 NE2 GLN A 48 10.877 6.230 -21.564 1.00 41.50 N ATOM 0 H GLN A 48 8.634 3.454 -19.575 1.00 13.35 H new ATOM 0 HA GLN A 48 11.424 3.332 -19.107 1.00 52.03 H new ATOM 0 HB2 GLN A 48 9.279 4.836 -17.559 1.00 62.23 H new ATOM 0 HB3 GLN A 48 10.990 5.214 -17.607 1.00 62.23 H new ATOM 0 HG2 GLN A 48 9.038 5.390 -19.927 1.00 32.11 H new ATOM 0 HG3 GLN A 48 9.739 6.735 -19.049 1.00 32.11 H new ATOM 0 HE21 GLN A 48 9.949 6.579 -21.806 1.00 41.50 H new ATOM 0 HE22 GLN A 48 11.629 6.263 -22.252 1.00 41.50 H new ATOM 716 N PRO A 49 11.812 2.477 -16.743 1.00 72.40 N ATOM 717 CA PRO A 49 12.091 1.705 -15.528 1.00 60.14 C ATOM 718 C PRO A 49 11.423 2.303 -14.295 1.00 50.11 C ATOM 719 O PRO A 49 11.352 1.665 -13.245 1.00 41.31 O ATOM 720 CB PRO A 49 13.615 1.782 -15.402 1.00 35.24 C ATOM 721 CG PRO A 49 13.991 3.034 -16.115 1.00 2.32 C ATOM 722 CD PRO A 49 13.005 3.183 -17.240 1.00 34.02 C ATOM 0 HA PRO A 49 11.706 0.687 -15.594 1.00 60.14 H new ATOM 0 HB2 PRO A 49 13.925 1.813 -14.357 1.00 35.24 H new ATOM 0 HB3 PRO A 49 14.094 0.912 -15.851 1.00 35.24 H new ATOM 0 HG2 PRO A 49 13.950 3.892 -15.444 1.00 2.32 H new ATOM 0 HG3 PRO A 49 15.011 2.975 -16.495 1.00 2.32 H new ATOM 0 HD2 PRO A 49 12.793 4.231 -17.452 1.00 34.02 H new ATOM 0 HD3 PRO A 49 13.379 2.740 -18.163 1.00 34.02 H new ATOM 730 N ALA A 50 10.934 3.531 -14.430 1.00 11.51 N ATOM 731 CA ALA A 50 10.269 4.214 -13.327 1.00 2.40 C ATOM 732 C ALA A 50 8.763 3.982 -13.365 1.00 73.42 C ATOM 733 O ALA A 50 8.046 4.348 -12.435 1.00 13.33 O ATOM 734 CB ALA A 50 10.576 5.704 -13.367 1.00 2.11 C ATOM 0 H ALA A 50 10.986 4.073 -15.292 1.00 11.51 H new ATOM 0 HA ALA A 50 10.650 3.800 -12.394 1.00 2.40 H new ATOM 0 HB1 ALA A 50 10.073 6.202 -12.538 1.00 2.11 H new ATOM 0 HB2 ALA A 50 11.652 5.856 -13.283 1.00 2.11 H new ATOM 0 HB3 ALA A 50 10.223 6.123 -14.309 1.00 2.11 H new ATOM 740 N GLN A 51 8.290 3.371 -14.447 1.00 42.11 N ATOM 741 CA GLN A 51 6.868 3.091 -14.606 1.00 10.30 C ATOM 742 C GLN A 51 6.408 2.028 -13.614 1.00 2.11 C ATOM 743 O GLN A 51 5.210 1.808 -13.436 1.00 1.11 O ATOM 744 CB GLN A 51 6.573 2.634 -16.035 1.00 63.54 C ATOM 745 CG GLN A 51 6.905 1.171 -16.287 1.00 10.44 C ATOM 746 CD GLN A 51 5.680 0.279 -16.243 1.00 1.20 C ATOM 747 OE1 GLN A 51 4.634 0.667 -15.722 1.00 31.31 O ATOM 748 NE2 GLN A 51 5.804 -0.924 -16.792 1.00 13.33 N ATOM 0 H GLN A 51 8.871 3.061 -15.226 1.00 42.11 H new ATOM 0 HA GLN A 51 6.318 4.011 -14.406 1.00 10.30 H new ATOM 0 HB2 GLN A 51 5.518 2.801 -16.250 1.00 63.54 H new ATOM 0 HB3 GLN A 51 7.142 3.252 -16.730 1.00 63.54 H new ATOM 0 HG2 GLN A 51 7.386 1.074 -17.260 1.00 10.44 H new ATOM 0 HG3 GLN A 51 7.624 0.832 -15.541 1.00 10.44 H new ATOM 0 HE21 GLN A 51 6.690 -1.204 -17.213 1.00 13.33 H new ATOM 0 HE22 GLN A 51 5.013 -1.568 -16.793 1.00 13.33 H new ATOM 757 N ARG A 52 7.368 1.371 -12.971 1.00 1.31 N ATOM 758 CA ARG A 52 7.061 0.330 -11.998 1.00 24.21 C ATOM 759 C ARG A 52 6.734 0.937 -10.637 1.00 25.24 C ATOM 760 O ARG A 52 5.886 0.425 -9.905 1.00 45.32 O ATOM 761 CB ARG A 52 8.239 -0.638 -11.867 1.00 73.31 C ATOM 762 CG ARG A 52 8.100 -1.613 -10.709 1.00 72.12 C ATOM 763 CD ARG A 52 9.142 -1.352 -9.633 1.00 12.21 C ATOM 764 NE ARG A 52 10.360 -2.128 -9.850 1.00 52.44 N ATOM 765 CZ ARG A 52 10.470 -3.419 -9.561 1.00 73.53 C ATOM 766 NH1 ARG A 52 9.440 -4.077 -9.046 1.00 40.21 N ATOM 767 NH2 ARG A 52 11.611 -4.057 -9.788 1.00 4.50 N ATOM 0 H ARG A 52 8.365 1.541 -13.106 1.00 1.31 H new ATOM 0 HA ARG A 52 6.187 -0.217 -12.352 1.00 24.21 H new ATOM 0 HB2 ARG A 52 8.341 -1.201 -12.795 1.00 73.31 H new ATOM 0 HB3 ARG A 52 9.157 -0.065 -11.740 1.00 73.31 H new ATOM 0 HG2 ARG A 52 7.102 -1.529 -10.279 1.00 72.12 H new ATOM 0 HG3 ARG A 52 8.203 -2.634 -11.077 1.00 72.12 H new ATOM 0 HD2 ARG A 52 9.387 -0.290 -9.616 1.00 12.21 H new ATOM 0 HD3 ARG A 52 8.724 -1.598 -8.657 1.00 12.21 H new ATOM 0 HE ARG A 52 11.171 -1.652 -10.245 1.00 52.44 H new ATOM 0 HH11 ARG A 52 8.560 -3.591 -8.871 1.00 40.21 H new ATOM 0 HH12 ARG A 52 9.527 -5.069 -8.825 1.00 40.21 H new ATOM 0 HH21 ARG A 52 12.405 -3.555 -10.185 1.00 4.50 H new ATOM 0 HH22 ARG A 52 11.694 -5.049 -9.565 1.00 4.50 H new ATOM 781 N ASP A 53 7.413 2.029 -10.304 1.00 11.25 N ATOM 782 CA ASP A 53 7.195 2.706 -9.031 1.00 14.54 C ATOM 783 C ASP A 53 6.264 3.903 -9.204 1.00 62.12 C ATOM 784 O ASP A 53 5.990 4.633 -8.251 1.00 43.40 O ATOM 785 CB ASP A 53 8.528 3.163 -8.436 1.00 52.44 C ATOM 786 CG ASP A 53 9.060 2.197 -7.397 1.00 33.05 C ATOM 787 OD1 ASP A 53 8.704 1.001 -7.460 1.00 14.41 O ATOM 788 OD2 ASP A 53 9.833 2.636 -6.520 1.00 32.12 O ATOM 0 H ASP A 53 8.119 2.464 -10.898 1.00 11.25 H new ATOM 0 HA ASP A 53 6.725 1.998 -8.348 1.00 14.54 H new ATOM 0 HB2 ASP A 53 9.261 3.272 -9.235 1.00 52.44 H new ATOM 0 HB3 ASP A 53 8.402 4.146 -7.983 1.00 52.44 H new ATOM 793 N LEU A 54 5.782 4.098 -10.427 1.00 1.35 N ATOM 794 CA LEU A 54 4.883 5.207 -10.726 1.00 52.21 C ATOM 795 C LEU A 54 3.622 4.712 -11.427 1.00 61.33 C ATOM 796 O LEU A 54 3.687 3.859 -12.313 1.00 50.43 O ATOM 797 CB LEU A 54 5.592 6.243 -11.600 1.00 2.45 C ATOM 798 CG LEU A 54 4.686 7.167 -12.415 1.00 5.34 C ATOM 799 CD1 LEU A 54 3.970 8.152 -11.504 1.00 1.13 C ATOM 800 CD2 LEU A 54 5.492 7.906 -13.473 1.00 43.11 C ATOM 0 H LEU A 54 5.999 3.503 -11.227 1.00 1.35 H new ATOM 0 HA LEU A 54 4.594 5.672 -9.783 1.00 52.21 H new ATOM 0 HB2 LEU A 54 6.223 6.859 -10.959 1.00 2.45 H new ATOM 0 HB3 LEU A 54 6.254 5.717 -12.288 1.00 2.45 H new ATOM 0 HG LEU A 54 3.936 6.557 -12.918 1.00 5.34 H new ATOM 0 HD11 LEU A 54 3.330 8.801 -12.102 1.00 1.13 H new ATOM 0 HD12 LEU A 54 3.361 7.605 -10.784 1.00 1.13 H new ATOM 0 HD13 LEU A 54 4.705 8.757 -10.973 1.00 1.13 H new ATOM 0 HD21 LEU A 54 4.831 8.559 -14.043 1.00 43.11 H new ATOM 0 HD22 LEU A 54 6.265 8.504 -12.990 1.00 43.11 H new ATOM 0 HD23 LEU A 54 5.958 7.185 -14.145 1.00 43.11 H new ATOM 812 N ARG A 55 2.476 5.253 -11.026 1.00 65.11 N ATOM 813 CA ARG A 55 1.201 4.867 -11.617 1.00 32.42 C ATOM 814 C ARG A 55 0.796 5.839 -12.721 1.00 1.02 C ATOM 815 O ARG A 55 1.485 6.827 -12.976 1.00 64.42 O ATOM 816 CB ARG A 55 0.112 4.815 -10.543 1.00 42.42 C ATOM 817 CG ARG A 55 -0.268 6.181 -9.996 1.00 2.44 C ATOM 818 CD ARG A 55 -1.221 6.063 -8.816 1.00 43.43 C ATOM 819 NE ARG A 55 -0.518 6.120 -7.537 1.00 71.52 N ATOM 820 CZ ARG A 55 -1.128 6.302 -6.371 1.00 61.32 C ATOM 821 NH1 ARG A 55 -2.445 6.444 -6.323 1.00 52.14 N ATOM 822 NH2 ARG A 55 -0.420 6.341 -5.250 1.00 3.12 N ATOM 0 H ARG A 55 2.405 5.960 -10.294 1.00 65.11 H new ATOM 0 HA ARG A 55 1.318 3.876 -12.055 1.00 32.42 H new ATOM 0 HB2 ARG A 55 -0.776 4.340 -10.960 1.00 42.42 H new ATOM 0 HB3 ARG A 55 0.454 4.186 -9.721 1.00 42.42 H new ATOM 0 HG2 ARG A 55 0.631 6.713 -9.687 1.00 2.44 H new ATOM 0 HG3 ARG A 55 -0.734 6.773 -10.784 1.00 2.44 H new ATOM 0 HD2 ARG A 55 -1.956 6.867 -8.862 1.00 43.43 H new ATOM 0 HD3 ARG A 55 -1.770 5.124 -8.886 1.00 43.43 H new ATOM 0 HE ARG A 55 0.497 6.014 -7.539 1.00 71.52 H new ATOM 0 HH11 ARG A 55 -2.993 6.414 -7.183 1.00 52.14 H new ATOM 0 HH12 ARG A 55 -2.911 6.584 -5.426 1.00 52.14 H new ATOM 0 HH21 ARG A 55 0.594 6.231 -5.283 1.00 3.12 H new ATOM 0 HH22 ARG A 55 -0.889 6.481 -4.355 1.00 3.12 H new ATOM 836 N VAL A 56 -0.326 5.552 -13.373 1.00 51.10 N ATOM 837 CA VAL A 56 -0.823 6.401 -14.449 1.00 72.02 C ATOM 838 C VAL A 56 -2.346 6.467 -14.438 1.00 73.01 C ATOM 839 O VAL A 56 -3.024 5.457 -14.630 1.00 64.02 O ATOM 840 CB VAL A 56 -0.352 5.896 -15.826 1.00 32.42 C ATOM 841 CG1 VAL A 56 -0.564 4.394 -15.945 1.00 15.12 C ATOM 842 CG2 VAL A 56 -1.077 6.635 -16.941 1.00 24.23 C ATOM 0 H VAL A 56 -0.908 4.738 -13.175 1.00 51.10 H new ATOM 0 HA VAL A 56 -0.418 7.398 -14.278 1.00 72.02 H new ATOM 0 HB VAL A 56 0.715 6.097 -15.922 1.00 32.42 H new ATOM 0 HG11 VAL A 56 -0.226 4.055 -16.924 1.00 15.12 H new ATOM 0 HG12 VAL A 56 0.005 3.884 -15.168 1.00 15.12 H new ATOM 0 HG13 VAL A 56 -1.623 4.166 -15.828 1.00 15.12 H new ATOM 0 HG21 VAL A 56 -0.732 6.266 -17.907 1.00 24.23 H new ATOM 0 HG22 VAL A 56 -2.150 6.467 -16.851 1.00 24.23 H new ATOM 0 HG23 VAL A 56 -0.869 7.702 -16.865 1.00 24.23 H new ATOM 852 N PHE A 57 -2.880 7.663 -14.212 1.00 44.13 N ATOM 853 CA PHE A 57 -4.324 7.862 -14.176 1.00 22.43 C ATOM 854 C PHE A 57 -4.802 8.607 -15.418 1.00 70.24 C ATOM 855 O PHE A 57 -4.277 9.666 -15.762 1.00 63.24 O ATOM 856 CB PHE A 57 -4.722 8.637 -12.918 1.00 24.32 C ATOM 857 CG PHE A 57 -5.332 9.978 -13.208 1.00 71.12 C ATOM 858 CD1 PHE A 57 -4.542 11.114 -13.273 1.00 0.34 C ATOM 859 CD2 PHE A 57 -6.696 10.102 -13.416 1.00 54.41 C ATOM 860 CE1 PHE A 57 -5.101 12.350 -13.540 1.00 4.00 C ATOM 861 CE2 PHE A 57 -7.260 11.335 -13.684 1.00 54.32 C ATOM 862 CZ PHE A 57 -6.462 12.461 -13.745 1.00 22.40 C ATOM 0 H PHE A 57 -2.334 8.509 -14.051 1.00 44.13 H new ATOM 0 HA PHE A 57 -4.800 6.882 -14.157 1.00 22.43 H new ATOM 0 HB2 PHE A 57 -5.431 8.041 -12.343 1.00 24.32 H new ATOM 0 HB3 PHE A 57 -3.840 8.775 -12.292 1.00 24.32 H new ATOM 0 HD1 PHE A 57 -3.477 11.033 -13.113 1.00 0.34 H new ATOM 0 HD2 PHE A 57 -7.325 9.226 -13.368 1.00 54.41 H new ATOM 0 HE1 PHE A 57 -4.474 13.228 -13.588 1.00 4.00 H new ATOM 0 HE2 PHE A 57 -8.325 11.418 -13.846 1.00 54.32 H new ATOM 0 HZ PHE A 57 -6.901 13.425 -13.952 1.00 22.40 H new ATOM 872 N LYS A 58 -5.802 8.045 -16.089 1.00 14.50 N ATOM 873 CA LYS A 58 -6.354 8.655 -17.293 1.00 62.24 C ATOM 874 C LYS A 58 -7.583 9.496 -16.964 1.00 2.03 C ATOM 875 O LYS A 58 -8.410 9.108 -16.139 1.00 74.43 O ATOM 876 CB LYS A 58 -6.721 7.575 -18.314 1.00 45.10 C ATOM 877 CG LYS A 58 -5.572 7.187 -19.229 1.00 4.43 C ATOM 878 CD LYS A 58 -5.775 5.804 -19.824 1.00 2.14 C ATOM 879 CE LYS A 58 -5.059 5.661 -21.158 1.00 23.51 C ATOM 880 NZ LYS A 58 -5.855 4.864 -22.132 1.00 54.41 N ATOM 0 H LYS A 58 -6.247 7.168 -15.819 1.00 14.50 H new ATOM 0 HA LYS A 58 -5.593 9.308 -17.720 1.00 62.24 H new ATOM 0 HB2 LYS A 58 -7.067 6.688 -17.783 1.00 45.10 H new ATOM 0 HB3 LYS A 58 -7.554 7.929 -18.921 1.00 45.10 H new ATOM 0 HG2 LYS A 58 -5.481 7.919 -20.031 1.00 4.43 H new ATOM 0 HG3 LYS A 58 -4.637 7.210 -18.670 1.00 4.43 H new ATOM 0 HD2 LYS A 58 -5.406 5.050 -19.129 1.00 2.14 H new ATOM 0 HD3 LYS A 58 -6.840 5.618 -19.960 1.00 2.14 H new ATOM 0 HE2 LYS A 58 -4.862 6.650 -21.572 1.00 23.51 H new ATOM 0 HE3 LYS A 58 -4.092 5.183 -21.002 1.00 23.51 H new ATOM 0 HZ1 LYS A 58 -5.333 4.789 -23.028 1.00 54.41 H new ATOM 0 HZ2 LYS A 58 -6.021 3.912 -21.748 1.00 54.41 H new ATOM 0 HZ3 LYS A 58 -6.768 5.333 -22.301 1.00 54.41 H new ATOM 894 N VAL A 59 -7.696 10.650 -17.614 1.00 34.20 N ATOM 895 CA VAL A 59 -8.826 11.545 -17.392 1.00 21.43 C ATOM 896 C VAL A 59 -9.556 11.843 -18.696 1.00 60.35 C ATOM 897 O VAL A 59 -8.994 12.444 -19.611 1.00 2.15 O ATOM 898 CB VAL A 59 -8.374 12.872 -16.755 1.00 25.14 C ATOM 899 CG1 VAL A 59 -7.195 13.456 -17.518 1.00 2.42 C ATOM 900 CG2 VAL A 59 -9.529 13.860 -16.705 1.00 34.45 C ATOM 0 H VAL A 59 -7.019 10.987 -18.298 1.00 34.20 H new ATOM 0 HA VAL A 59 -9.504 11.034 -16.708 1.00 21.43 H new ATOM 0 HB VAL A 59 -8.052 12.673 -15.733 1.00 25.14 H new ATOM 0 HG11 VAL A 59 -6.889 14.393 -17.053 1.00 2.42 H new ATOM 0 HG12 VAL A 59 -6.363 12.752 -17.496 1.00 2.42 H new ATOM 0 HG13 VAL A 59 -7.487 13.641 -18.552 1.00 2.42 H new ATOM 0 HG21 VAL A 59 -9.191 14.792 -16.252 1.00 34.45 H new ATOM 0 HG22 VAL A 59 -9.884 14.056 -17.717 1.00 34.45 H new ATOM 0 HG23 VAL A 59 -10.341 13.441 -16.111 1.00 34.45 H new ATOM 910 N ASN A 60 -10.813 11.418 -18.775 1.00 62.33 N ATOM 911 CA ASN A 60 -11.621 11.639 -19.969 1.00 10.11 C ATOM 912 C ASN A 60 -12.391 12.952 -19.868 1.00 54.15 C ATOM 913 O ASN A 60 -12.716 13.411 -18.773 1.00 54.54 O ATOM 914 CB ASN A 60 -12.596 10.477 -20.173 1.00 4.40 C ATOM 915 CG ASN A 60 -13.465 10.661 -21.402 1.00 64.22 C ATOM 916 OD1 ASN A 60 -13.026 11.219 -22.408 1.00 54.21 O ATOM 917 ND2 ASN A 60 -14.704 10.190 -21.326 1.00 40.10 N ATOM 0 H ASN A 60 -11.294 10.919 -18.027 1.00 62.33 H new ATOM 0 HA ASN A 60 -10.950 11.696 -20.826 1.00 10.11 H new ATOM 0 HB2 ASN A 60 -12.035 9.547 -20.264 1.00 4.40 H new ATOM 0 HB3 ASN A 60 -13.232 10.381 -19.293 1.00 4.40 H new ATOM 0 HD21 ASN A 60 -15.335 10.284 -22.122 1.00 40.10 H new ATOM 0 HD22 ASN A 60 -15.025 9.735 -20.472 1.00 40.10 H new ATOM 924 N PHE A 61 -12.681 13.551 -21.019 1.00 1.43 N ATOM 925 CA PHE A 61 -13.413 14.812 -21.061 1.00 22.00 C ATOM 926 C PHE A 61 -14.742 14.694 -20.321 1.00 10.21 C ATOM 927 O PHE A 61 -15.345 15.698 -19.941 1.00 44.43 O ATOM 928 CB PHE A 61 -13.659 15.235 -22.511 1.00 31.23 C ATOM 929 CG PHE A 61 -14.722 14.426 -23.199 1.00 2.44 C ATOM 930 CD1 PHE A 61 -16.052 14.807 -23.132 1.00 34.14 C ATOM 931 CD2 PHE A 61 -14.390 13.286 -23.912 1.00 32.43 C ATOM 932 CE1 PHE A 61 -17.033 14.065 -23.764 1.00 2.42 C ATOM 933 CE2 PHE A 61 -15.366 12.541 -24.546 1.00 71.52 C ATOM 934 CZ PHE A 61 -16.689 12.930 -24.471 1.00 51.22 C ATOM 0 H PHE A 61 -12.420 13.184 -21.934 1.00 1.43 H new ATOM 0 HA PHE A 61 -12.808 15.572 -20.566 1.00 22.00 H new ATOM 0 HB2 PHE A 61 -13.944 16.287 -22.531 1.00 31.23 H new ATOM 0 HB3 PHE A 61 -12.727 15.147 -23.070 1.00 31.23 H new ATOM 0 HD1 PHE A 61 -16.326 15.694 -22.580 1.00 34.14 H new ATOM 0 HD2 PHE A 61 -13.357 12.976 -23.973 1.00 32.43 H new ATOM 0 HE1 PHE A 61 -18.067 14.373 -23.705 1.00 2.42 H new ATOM 0 HE2 PHE A 61 -15.094 11.655 -25.100 1.00 71.52 H new ATOM 0 HZ PHE A 61 -17.453 12.348 -24.964 1.00 51.22 H new ATOM 944 N ASP A 62 -15.193 13.461 -20.120 1.00 70.11 N ATOM 945 CA ASP A 62 -16.450 13.210 -19.425 1.00 54.33 C ATOM 946 C ASP A 62 -16.328 13.547 -17.943 1.00 15.25 C ATOM 947 O ASP A 62 -17.330 13.764 -17.259 1.00 23.20 O ATOM 948 CB ASP A 62 -16.870 11.749 -19.596 1.00 41.43 C ATOM 949 CG ASP A 62 -17.485 11.479 -20.955 1.00 64.15 C ATOM 950 OD1 ASP A 62 -17.999 12.434 -21.575 1.00 61.32 O ATOM 951 OD2 ASP A 62 -17.451 10.313 -21.400 1.00 22.51 O ATOM 0 H ASP A 62 -14.707 12.619 -20.429 1.00 70.11 H new ATOM 0 HA ASP A 62 -17.213 13.853 -19.864 1.00 54.33 H new ATOM 0 HB2 ASP A 62 -16.001 11.106 -19.459 1.00 41.43 H new ATOM 0 HB3 ASP A 62 -17.586 11.486 -18.818 1.00 41.43 H new ATOM 956 N THR A 63 -15.094 13.589 -17.450 1.00 33.23 N ATOM 957 CA THR A 63 -14.841 13.897 -16.048 1.00 31.21 C ATOM 958 C THR A 63 -14.182 15.263 -15.896 1.00 25.45 C ATOM 959 O THR A 63 -14.361 15.938 -14.883 1.00 12.51 O ATOM 960 CB THR A 63 -13.944 12.830 -15.392 1.00 13.24 C ATOM 961 OG1 THR A 63 -14.410 11.520 -15.734 1.00 52.21 O ATOM 962 CG2 THR A 63 -13.932 12.990 -13.879 1.00 2.12 C ATOM 0 H THR A 63 -14.254 13.413 -18.001 1.00 33.23 H new ATOM 0 HA THR A 63 -15.808 13.906 -15.546 1.00 31.21 H new ATOM 0 HB THR A 63 -12.928 12.962 -15.764 1.00 13.24 H new ATOM 0 HG1 THR A 63 -14.494 10.980 -14.921 1.00 52.21 H new ATOM 0 HG21 THR A 63 -13.292 12.226 -13.437 1.00 2.12 H new ATOM 0 HG22 THR A 63 -13.549 13.977 -13.621 1.00 2.12 H new ATOM 0 HG23 THR A 63 -14.946 12.881 -13.494 1.00 2.12 H new ATOM 970 N GLN A 64 -13.419 15.663 -16.908 1.00 23.52 N ATOM 971 CA GLN A 64 -12.733 16.949 -16.885 1.00 25.11 C ATOM 972 C GLN A 64 -13.403 17.940 -17.830 1.00 50.40 C ATOM 973 O GLN A 64 -12.773 18.886 -18.304 1.00 70.13 O ATOM 974 CB GLN A 64 -11.262 16.773 -17.270 1.00 15.53 C ATOM 975 CG GLN A 64 -11.062 16.230 -18.675 1.00 72.31 C ATOM 976 CD GLN A 64 -9.658 16.462 -19.196 1.00 43.31 C ATOM 977 OE1 GLN A 64 -8.675 16.098 -18.549 1.00 50.44 O ATOM 978 NE2 GLN A 64 -9.555 17.071 -20.372 1.00 14.33 N ATOM 0 H GLN A 64 -13.260 15.115 -17.754 1.00 23.52 H new ATOM 0 HA GLN A 64 -12.791 17.346 -15.871 1.00 25.11 H new ATOM 0 HB2 GLN A 64 -10.755 17.734 -17.185 1.00 15.53 H new ATOM 0 HB3 GLN A 64 -10.787 16.099 -16.558 1.00 15.53 H new ATOM 0 HG2 GLN A 64 -11.276 15.161 -18.681 1.00 72.31 H new ATOM 0 HG3 GLN A 64 -11.778 16.702 -19.348 1.00 72.31 H new ATOM 0 HE21 GLN A 64 -10.396 17.356 -20.874 1.00 14.33 H new ATOM 0 HE22 GLN A 64 -8.635 17.254 -20.773 1.00 14.33 H new ATOM 987 N LYS A 65 -14.685 17.718 -18.101 1.00 2.25 N ATOM 988 CA LYS A 65 -15.442 18.592 -18.988 1.00 75.14 C ATOM 989 C LYS A 65 -15.398 20.036 -18.499 1.00 31.11 C ATOM 990 O LYS A 65 -15.714 20.963 -19.243 1.00 45.55 O ATOM 991 CB LYS A 65 -16.895 18.119 -19.085 1.00 41.51 C ATOM 992 CG LYS A 65 -17.380 17.934 -20.512 1.00 73.52 C ATOM 993 CD LYS A 65 -18.632 18.750 -20.786 1.00 41.34 C ATOM 994 CE LYS A 65 -19.386 18.225 -21.999 1.00 4.43 C ATOM 995 NZ LYS A 65 -20.602 17.460 -21.607 1.00 41.52 N ATOM 0 H LYS A 65 -15.221 16.939 -17.718 1.00 2.25 H new ATOM 0 HA LYS A 65 -14.985 18.549 -19.976 1.00 75.14 H new ATOM 0 HB2 LYS A 65 -16.997 17.175 -18.550 1.00 41.51 H new ATOM 0 HB3 LYS A 65 -17.538 18.842 -18.582 1.00 41.51 H new ATOM 0 HG2 LYS A 65 -16.593 18.230 -21.206 1.00 73.52 H new ATOM 0 HG3 LYS A 65 -17.585 16.879 -20.694 1.00 73.52 H new ATOM 0 HD2 LYS A 65 -19.283 18.724 -19.912 1.00 41.34 H new ATOM 0 HD3 LYS A 65 -18.359 19.793 -20.949 1.00 41.34 H new ATOM 0 HE2 LYS A 65 -19.673 19.060 -22.638 1.00 4.43 H new ATOM 0 HE3 LYS A 65 -18.728 17.585 -22.587 1.00 4.43 H new ATOM 0 HZ1 LYS A 65 -21.088 17.119 -22.461 1.00 41.52 H new ATOM 0 HZ2 LYS A 65 -20.327 16.648 -21.018 1.00 41.52 H new ATOM 0 HZ3 LYS A 65 -21.242 18.078 -21.068 1.00 41.52 H new ATOM 1009 N ALA A 66 -15.003 20.218 -17.243 1.00 51.31 N ATOM 1010 CA ALA A 66 -14.914 21.550 -16.656 1.00 71.51 C ATOM 1011 C ALA A 66 -13.557 22.185 -16.940 1.00 55.34 C ATOM 1012 O ALA A 66 -13.323 23.346 -16.606 1.00 54.33 O ATOM 1013 CB ALA A 66 -15.164 21.483 -15.157 1.00 31.13 C ATOM 0 H ALA A 66 -14.740 19.461 -16.613 1.00 51.31 H new ATOM 0 HA ALA A 66 -15.681 22.175 -17.114 1.00 71.51 H new ATOM 0 HB1 ALA A 66 -15.095 22.484 -14.731 1.00 31.13 H new ATOM 0 HB2 ALA A 66 -16.159 21.078 -14.972 1.00 31.13 H new ATOM 0 HB3 ALA A 66 -14.418 20.839 -14.692 1.00 31.13 H new ATOM 1019 N ALA A 67 -12.667 21.417 -17.558 1.00 62.55 N ATOM 1020 CA ALA A 67 -11.334 21.906 -17.889 1.00 30.44 C ATOM 1021 C ALA A 67 -11.334 22.641 -19.224 1.00 54.14 C ATOM 1022 O ALA A 67 -10.849 23.769 -19.324 1.00 64.42 O ATOM 1023 CB ALA A 67 -10.341 20.753 -17.919 1.00 34.11 C ATOM 0 H ALA A 67 -12.845 20.453 -17.840 1.00 62.55 H new ATOM 0 HA ALA A 67 -11.031 22.612 -17.116 1.00 30.44 H new ATOM 0 HB1 ALA A 67 -9.350 21.133 -18.167 1.00 34.11 H new ATOM 0 HB2 ALA A 67 -10.311 20.273 -16.941 1.00 34.11 H new ATOM 0 HB3 ALA A 67 -10.650 20.026 -18.670 1.00 34.11 H new ATOM 1029 N LEU A 68 -11.881 21.997 -20.249 1.00 74.41 N ATOM 1030 CA LEU A 68 -11.944 22.590 -21.580 1.00 75.34 C ATOM 1031 C LEU A 68 -13.095 23.586 -21.679 1.00 1.44 C ATOM 1032 O LEU A 68 -13.136 24.412 -22.590 1.00 52.30 O ATOM 1033 CB LEU A 68 -12.109 21.498 -22.639 1.00 44.03 C ATOM 1034 CG LEU A 68 -13.006 20.321 -22.256 1.00 70.21 C ATOM 1035 CD1 LEU A 68 -12.254 19.344 -21.365 1.00 51.31 C ATOM 1036 CD2 LEU A 68 -14.267 20.815 -21.563 1.00 54.12 C ATOM 0 H LEU A 68 -12.287 21.064 -20.184 1.00 74.41 H new ATOM 0 HA LEU A 68 -11.010 23.123 -21.757 1.00 75.34 H new ATOM 0 HB2 LEU A 68 -12.510 21.955 -23.544 1.00 44.03 H new ATOM 0 HB3 LEU A 68 -11.121 21.110 -22.889 1.00 44.03 H new ATOM 0 HG LEU A 68 -13.297 19.799 -23.168 1.00 70.21 H new ATOM 0 HD11 LEU A 68 -12.909 18.513 -21.103 1.00 51.31 H new ATOM 0 HD12 LEU A 68 -11.381 18.965 -21.896 1.00 51.31 H new ATOM 0 HD13 LEU A 68 -11.933 19.853 -20.457 1.00 51.31 H new ATOM 0 HD21 LEU A 68 -14.894 19.964 -21.298 1.00 54.12 H new ATOM 0 HD22 LEU A 68 -13.996 21.361 -20.660 1.00 54.12 H new ATOM 0 HD23 LEU A 68 -14.817 21.475 -22.235 1.00 54.12 H new ATOM 1048 N GLN A 69 -14.025 23.504 -20.733 1.00 31.40 N ATOM 1049 CA GLN A 69 -15.175 24.400 -20.713 1.00 32.22 C ATOM 1050 C GLN A 69 -14.837 25.703 -19.997 1.00 11.21 C ATOM 1051 O GLN A 69 -15.445 26.741 -20.259 1.00 24.14 O ATOM 1052 CB GLN A 69 -16.364 23.722 -20.030 1.00 14.44 C ATOM 1053 CG GLN A 69 -17.129 22.773 -20.939 1.00 4.34 C ATOM 1054 CD GLN A 69 -18.323 23.433 -21.599 1.00 70.01 C ATOM 1055 OE1 GLN A 69 -18.171 24.331 -22.428 1.00 73.21 O ATOM 1056 NE2 GLN A 69 -19.521 22.990 -21.235 1.00 3.23 N ATOM 0 H GLN A 69 -14.005 22.827 -19.971 1.00 31.40 H new ATOM 0 HA GLN A 69 -15.441 24.632 -21.744 1.00 32.22 H new ATOM 0 HB2 GLN A 69 -16.006 23.170 -19.161 1.00 14.44 H new ATOM 0 HB3 GLN A 69 -17.046 24.488 -19.662 1.00 14.44 H new ATOM 0 HG2 GLN A 69 -16.457 22.393 -21.709 1.00 4.34 H new ATOM 0 HG3 GLN A 69 -17.468 21.914 -20.359 1.00 4.34 H new ATOM 0 HE21 GLN A 69 -19.601 22.244 -20.544 1.00 3.23 H new ATOM 0 HE22 GLN A 69 -20.361 23.396 -21.646 1.00 3.23 H new ATOM 1065 N GLN A 70 -13.865 25.641 -19.093 1.00 2.13 N ATOM 1066 CA GLN A 70 -13.447 26.817 -18.338 1.00 54.05 C ATOM 1067 C GLN A 70 -12.253 27.494 -19.003 1.00 14.40 C ATOM 1068 O GLN A 70 -12.128 28.719 -18.977 1.00 64.10 O ATOM 1069 CB GLN A 70 -13.094 26.429 -16.902 1.00 30.52 C ATOM 1070 CG GLN A 70 -12.755 27.617 -16.016 1.00 73.31 C ATOM 1071 CD GLN A 70 -13.986 28.380 -15.568 1.00 41.43 C ATOM 1072 OE1 GLN A 70 -14.447 29.294 -16.253 1.00 73.33 O ATOM 1073 NE2 GLN A 70 -14.525 28.010 -14.413 1.00 32.42 N ATOM 0 H GLN A 70 -13.352 24.789 -18.865 1.00 2.13 H new ATOM 0 HA GLN A 70 -14.279 27.522 -18.322 1.00 54.05 H new ATOM 0 HB2 GLN A 70 -13.933 25.888 -16.464 1.00 30.52 H new ATOM 0 HB3 GLN A 70 -12.246 25.744 -16.918 1.00 30.52 H new ATOM 0 HG2 GLN A 70 -12.209 27.268 -15.139 1.00 73.31 H new ATOM 0 HG3 GLN A 70 -12.091 28.291 -16.557 1.00 73.31 H new ATOM 0 HE21 GLN A 70 -14.110 27.247 -13.878 1.00 32.42 H new ATOM 0 HE22 GLN A 70 -15.354 28.488 -14.061 1.00 32.42 H new ATOM 1082 N PHE A 71 -11.379 26.690 -19.598 1.00 4.04 N ATOM 1083 CA PHE A 71 -10.193 27.212 -20.268 1.00 73.21 C ATOM 1084 C PHE A 71 -10.423 27.320 -21.773 1.00 21.23 C ATOM 1085 O PHE A 71 -9.616 27.907 -22.494 1.00 14.32 O ATOM 1086 CB PHE A 71 -8.986 26.314 -19.988 1.00 53.01 C ATOM 1087 CG PHE A 71 -8.645 26.206 -18.529 1.00 74.44 C ATOM 1088 CD1 PHE A 71 -8.428 27.343 -17.769 1.00 12.13 C ATOM 1089 CD2 PHE A 71 -8.542 24.966 -17.919 1.00 4.01 C ATOM 1090 CE1 PHE A 71 -8.115 27.247 -16.426 1.00 23.11 C ATOM 1091 CE2 PHE A 71 -8.229 24.864 -16.577 1.00 22.44 C ATOM 1092 CZ PHE A 71 -8.014 26.005 -15.829 1.00 41.35 C ATOM 0 H PHE A 71 -11.469 25.674 -19.630 1.00 4.04 H new ATOM 0 HA PHE A 71 -9.993 28.209 -19.876 1.00 73.21 H new ATOM 0 HB2 PHE A 71 -9.186 25.317 -20.381 1.00 53.01 H new ATOM 0 HB3 PHE A 71 -8.122 26.702 -20.527 1.00 53.01 H new ATOM 0 HD1 PHE A 71 -8.504 28.316 -18.231 1.00 12.13 H new ATOM 0 HD2 PHE A 71 -8.708 24.070 -18.499 1.00 4.01 H new ATOM 0 HE1 PHE A 71 -7.950 28.142 -15.844 1.00 23.11 H new ATOM 0 HE2 PHE A 71 -8.152 23.892 -16.113 1.00 22.44 H new ATOM 0 HZ PHE A 71 -7.768 25.927 -14.780 1.00 41.35 H new ATOM 1102 N ARG A 72 -11.528 26.748 -22.239 1.00 53.21 N ATOM 1103 CA ARG A 72 -11.864 26.778 -23.658 1.00 1.24 C ATOM 1104 C ARG A 72 -10.799 26.062 -24.483 1.00 73.24 C ATOM 1105 O ARG A 72 -10.458 26.493 -25.585 1.00 15.32 O ATOM 1106 CB ARG A 72 -12.011 28.223 -24.138 1.00 42.03 C ATOM 1107 CG ARG A 72 -12.833 28.362 -25.409 1.00 33.51 C ATOM 1108 CD ARG A 72 -12.807 29.787 -25.937 1.00 11.42 C ATOM 1109 NE ARG A 72 -13.404 29.890 -27.266 1.00 23.01 N ATOM 1110 CZ ARG A 72 -12.820 29.439 -28.370 1.00 63.34 C ATOM 1111 NH1 ARG A 72 -11.630 28.857 -28.305 1.00 32.30 N ATOM 1112 NH2 ARG A 72 -13.426 29.569 -29.544 1.00 30.25 N ATOM 0 H ARG A 72 -12.206 26.258 -21.655 1.00 53.21 H new ATOM 0 HA ARG A 72 -12.813 26.259 -23.793 1.00 1.24 H new ATOM 0 HB2 ARG A 72 -12.476 28.814 -23.348 1.00 42.03 H new ATOM 0 HB3 ARG A 72 -11.020 28.643 -24.309 1.00 42.03 H new ATOM 0 HG2 ARG A 72 -12.446 27.684 -26.170 1.00 33.51 H new ATOM 0 HG3 ARG A 72 -13.863 28.065 -25.212 1.00 33.51 H new ATOM 0 HD2 ARG A 72 -13.343 30.439 -25.247 1.00 11.42 H new ATOM 0 HD3 ARG A 72 -11.777 30.141 -25.974 1.00 11.42 H new ATOM 0 HE ARG A 72 -14.319 30.332 -27.351 1.00 23.01 H new ATOM 0 HH11 ARG A 72 -11.161 28.755 -27.405 1.00 32.30 H new ATOM 0 HH12 ARG A 72 -11.184 28.512 -29.155 1.00 32.30 H new ATOM 0 HH21 ARG A 72 -14.341 30.016 -29.599 1.00 30.25 H new ATOM 0 HH22 ARG A 72 -12.976 29.222 -30.391 1.00 30.25 H new ATOM 1126 N VAL A 73 -10.277 24.965 -23.943 1.00 52.21 N ATOM 1127 CA VAL A 73 -9.252 24.188 -24.630 1.00 1.54 C ATOM 1128 C VAL A 73 -9.310 22.720 -24.223 1.00 11.44 C ATOM 1129 O VAL A 73 -9.282 22.393 -23.036 1.00 74.13 O ATOM 1130 CB VAL A 73 -7.843 24.736 -24.336 1.00 25.21 C ATOM 1131 CG1 VAL A 73 -7.573 24.741 -22.839 1.00 24.30 C ATOM 1132 CG2 VAL A 73 -6.791 23.921 -25.073 1.00 64.30 C ATOM 0 H VAL A 73 -10.547 24.594 -23.032 1.00 52.21 H new ATOM 0 HA VAL A 73 -9.452 24.273 -25.698 1.00 1.54 H new ATOM 0 HB VAL A 73 -7.790 25.764 -24.693 1.00 25.21 H new ATOM 0 HG11 VAL A 73 -6.573 25.131 -22.651 1.00 24.30 H new ATOM 0 HG12 VAL A 73 -8.308 25.371 -22.339 1.00 24.30 H new ATOM 0 HG13 VAL A 73 -7.644 23.724 -22.453 1.00 24.30 H new ATOM 0 HG21 VAL A 73 -5.801 24.322 -24.854 1.00 64.30 H new ATOM 0 HG22 VAL A 73 -6.842 22.882 -24.748 1.00 64.30 H new ATOM 0 HG23 VAL A 73 -6.975 23.975 -26.146 1.00 64.30 H new ATOM 1142 N SER A 74 -9.391 21.840 -25.215 1.00 25.42 N ATOM 1143 CA SER A 74 -9.456 20.405 -24.960 1.00 40.33 C ATOM 1144 C SER A 74 -8.061 19.788 -24.966 1.00 4.43 C ATOM 1145 O SER A 74 -7.387 19.742 -23.936 1.00 55.35 O ATOM 1146 CB SER A 74 -10.333 19.719 -26.009 1.00 53.32 C ATOM 1147 OG SER A 74 -10.008 20.162 -27.315 1.00 44.32 O ATOM 0 H SER A 74 -9.413 22.095 -26.202 1.00 25.42 H new ATOM 0 HA SER A 74 -9.896 20.256 -23.974 1.00 40.33 H new ATOM 0 HB2 SER A 74 -10.203 18.639 -25.945 1.00 53.32 H new ATOM 0 HB3 SER A 74 -11.383 19.927 -25.802 1.00 53.32 H new ATOM 0 HG SER A 74 -9.888 19.387 -27.903 1.00 44.32 H new ATOM 1153 N GLN A 75 -7.634 19.316 -26.132 1.00 60.24 N ATOM 1154 CA GLN A 75 -6.319 18.701 -26.272 1.00 73.22 C ATOM 1155 C GLN A 75 -6.041 17.743 -25.118 1.00 42.14 C ATOM 1156 O GLN A 75 -5.445 18.126 -24.112 1.00 44.44 O ATOM 1157 CB GLN A 75 -5.233 19.777 -26.331 1.00 74.52 C ATOM 1158 CG GLN A 75 -4.586 19.913 -27.700 1.00 11.21 C ATOM 1159 CD GLN A 75 -4.979 21.196 -28.406 1.00 75.30 C ATOM 1160 OE1 GLN A 75 -4.631 22.292 -27.967 1.00 23.12 O ATOM 1161 NE2 GLN A 75 -5.710 21.065 -29.507 1.00 42.54 N ATOM 0 H GLN A 75 -8.179 19.347 -26.994 1.00 60.24 H new ATOM 0 HA GLN A 75 -6.308 18.133 -27.202 1.00 73.22 H new ATOM 0 HB2 GLN A 75 -5.667 20.736 -26.046 1.00 74.52 H new ATOM 0 HB3 GLN A 75 -4.463 19.545 -25.596 1.00 74.52 H new ATOM 0 HG2 GLN A 75 -3.502 19.880 -27.590 1.00 11.21 H new ATOM 0 HG3 GLN A 75 -4.870 19.061 -28.318 1.00 11.21 H new ATOM 0 HE21 GLN A 75 -5.976 20.137 -29.835 1.00 42.54 H new ATOM 0 HE22 GLN A 75 -6.005 21.893 -30.025 1.00 42.54 H new ATOM 1170 N GLN A 76 -6.477 16.497 -25.272 1.00 24.12 N ATOM 1171 CA GLN A 76 -6.275 15.485 -24.241 1.00 43.24 C ATOM 1172 C GLN A 76 -4.836 14.979 -24.250 1.00 71.24 C ATOM 1173 O GLN A 76 -4.568 13.850 -24.661 1.00 44.04 O ATOM 1174 CB GLN A 76 -7.240 14.317 -24.448 1.00 14.13 C ATOM 1175 CG GLN A 76 -6.967 13.517 -25.711 1.00 43.21 C ATOM 1176 CD GLN A 76 -8.180 13.419 -26.614 1.00 54.21 C ATOM 1177 OE1 GLN A 76 -8.516 12.342 -27.107 1.00 53.13 O ATOM 1178 NE2 GLN A 76 -8.846 14.546 -26.836 1.00 14.53 N ATOM 0 H GLN A 76 -6.972 16.164 -26.099 1.00 24.12 H new ATOM 0 HA GLN A 76 -6.474 15.944 -23.272 1.00 43.24 H new ATOM 0 HB2 GLN A 76 -7.181 13.651 -23.587 1.00 14.13 H new ATOM 0 HB3 GLN A 76 -8.259 14.701 -24.485 1.00 14.13 H new ATOM 0 HG2 GLN A 76 -6.147 13.980 -26.260 1.00 43.21 H new ATOM 0 HG3 GLN A 76 -6.641 12.514 -25.437 1.00 43.21 H new ATOM 0 HE21 GLN A 76 -8.532 15.417 -26.407 1.00 14.53 H new ATOM 0 HE22 GLN A 76 -9.671 14.541 -27.435 1.00 14.53 H new ATOM 1187 N SER A 77 -3.914 15.821 -23.795 1.00 15.33 N ATOM 1188 CA SER A 77 -2.502 15.460 -23.754 1.00 52.41 C ATOM 1189 C SER A 77 -1.827 16.045 -22.517 1.00 53.42 C ATOM 1190 O SER A 77 -0.600 16.067 -22.416 1.00 32.23 O ATOM 1191 CB SER A 77 -1.792 15.952 -25.017 1.00 31.20 C ATOM 1192 OG SER A 77 -0.407 15.658 -24.970 1.00 64.22 O ATOM 0 H SER A 77 -4.120 16.758 -23.449 1.00 15.33 H new ATOM 0 HA SER A 77 -2.431 14.373 -23.705 1.00 52.41 H new ATOM 0 HB2 SER A 77 -2.237 15.483 -25.894 1.00 31.20 H new ATOM 0 HB3 SER A 77 -1.935 17.027 -25.123 1.00 31.20 H new ATOM 0 HG SER A 77 -0.043 15.936 -24.104 1.00 64.22 H new ATOM 1198 N THR A 78 -2.638 16.520 -21.577 1.00 15.31 N ATOM 1199 CA THR A 78 -2.122 17.107 -20.347 1.00 21.01 C ATOM 1200 C THR A 78 -1.422 16.059 -19.489 1.00 74.33 C ATOM 1201 O THR A 78 -2.054 15.122 -18.997 1.00 44.41 O ATOM 1202 CB THR A 78 -3.246 17.762 -19.522 1.00 5.21 C ATOM 1203 OG1 THR A 78 -3.503 19.084 -20.008 1.00 54.13 O ATOM 1204 CG2 THR A 78 -2.871 17.823 -18.049 1.00 24.42 C ATOM 0 H THR A 78 -3.656 16.510 -21.644 1.00 15.31 H new ATOM 0 HA THR A 78 -1.403 17.872 -20.640 1.00 21.01 H new ATOM 0 HB THR A 78 -4.145 17.155 -19.627 1.00 5.21 H new ATOM 0 HG1 THR A 78 -2.695 19.630 -19.914 1.00 54.13 H new ATOM 0 HG21 THR A 78 -3.680 18.289 -17.487 1.00 24.42 H new ATOM 0 HG22 THR A 78 -2.704 16.813 -17.674 1.00 24.42 H new ATOM 0 HG23 THR A 78 -1.960 18.410 -17.929 1.00 24.42 H new ATOM 1212 N LEU A 79 -0.116 16.221 -19.313 1.00 42.40 N ATOM 1213 CA LEU A 79 0.670 15.289 -18.513 1.00 23.40 C ATOM 1214 C LEU A 79 1.358 16.008 -17.357 1.00 45.14 C ATOM 1215 O LEU A 79 2.095 16.973 -17.565 1.00 20.14 O ATOM 1216 CB LEU A 79 1.713 14.590 -19.387 1.00 22.40 C ATOM 1217 CG LEU A 79 2.135 13.190 -18.939 1.00 4.14 C ATOM 1218 CD1 LEU A 79 3.394 12.752 -19.671 1.00 2.01 C ATOM 1219 CD2 LEU A 79 2.353 13.155 -17.433 1.00 13.32 C ATOM 0 H LEU A 79 0.422 16.990 -19.714 1.00 42.40 H new ATOM 0 HA LEU A 79 -0.008 14.543 -18.100 1.00 23.40 H new ATOM 0 HB2 LEU A 79 1.321 14.522 -20.402 1.00 22.40 H new ATOM 0 HB3 LEU A 79 2.602 15.219 -19.430 1.00 22.40 H new ATOM 0 HG LEU A 79 1.334 12.494 -19.187 1.00 4.14 H new ATOM 0 HD11 LEU A 79 3.679 11.754 -19.339 1.00 2.01 H new ATOM 0 HD12 LEU A 79 3.204 12.737 -20.744 1.00 2.01 H new ATOM 0 HD13 LEU A 79 4.202 13.451 -19.455 1.00 2.01 H new ATOM 0 HD21 LEU A 79 2.653 12.151 -17.132 1.00 13.32 H new ATOM 0 HD22 LEU A 79 3.135 13.864 -17.162 1.00 13.32 H new ATOM 0 HD23 LEU A 79 1.427 13.425 -16.925 1.00 13.32 H new ATOM 1231 N ILE A 80 1.115 15.531 -16.141 1.00 40.04 N ATOM 1232 CA ILE A 80 1.714 16.127 -14.954 1.00 20.24 C ATOM 1233 C ILE A 80 1.980 15.073 -13.884 1.00 71.33 C ATOM 1234 O ILE A 80 1.066 14.644 -13.178 1.00 40.23 O ATOM 1235 CB ILE A 80 0.814 17.227 -14.361 1.00 2.30 C ATOM 1236 CG1 ILE A 80 0.009 17.909 -15.469 1.00 13.33 C ATOM 1237 CG2 ILE A 80 1.653 18.246 -13.604 1.00 54.50 C ATOM 1238 CD1 ILE A 80 -0.821 19.077 -14.981 1.00 64.25 C ATOM 0 H ILE A 80 0.508 14.734 -15.952 1.00 40.04 H new ATOM 0 HA ILE A 80 2.659 16.571 -15.267 1.00 20.24 H new ATOM 0 HB ILE A 80 0.116 16.768 -13.661 1.00 2.30 H new ATOM 0 HG12 ILE A 80 0.693 18.258 -16.242 1.00 13.33 H new ATOM 0 HG13 ILE A 80 -0.649 17.175 -15.934 1.00 13.33 H new ATOM 0 HG21 ILE A 80 1.003 19.017 -13.191 1.00 54.50 H new ATOM 0 HG22 ILE A 80 2.186 17.748 -12.794 1.00 54.50 H new ATOM 0 HG23 ILE A 80 2.371 18.703 -14.284 1.00 54.50 H new ATOM 0 HD11 ILE A 80 -1.365 19.512 -15.819 1.00 64.25 H new ATOM 0 HD12 ILE A 80 -1.530 18.731 -14.229 1.00 64.25 H new ATOM 0 HD13 ILE A 80 -0.167 19.830 -14.543 1.00 64.25 H new ATOM 1250 N LEU A 81 3.237 14.659 -13.769 1.00 1.43 N ATOM 1251 CA LEU A 81 3.625 13.656 -12.783 1.00 42.04 C ATOM 1252 C LEU A 81 4.141 14.316 -11.508 1.00 72.35 C ATOM 1253 O LEU A 81 5.207 14.932 -11.504 1.00 31.34 O ATOM 1254 CB LEU A 81 4.698 12.732 -13.363 1.00 34.22 C ATOM 1255 CG LEU A 81 5.650 12.092 -12.352 1.00 33.12 C ATOM 1256 CD1 LEU A 81 4.878 11.236 -11.359 1.00 51.32 C ATOM 1257 CD2 LEU A 81 6.706 11.262 -13.066 1.00 24.32 C ATOM 0 H LEU A 81 4.005 15.002 -14.346 1.00 1.43 H new ATOM 0 HA LEU A 81 2.743 13.067 -12.533 1.00 42.04 H new ATOM 0 HB2 LEU A 81 4.202 11.936 -13.919 1.00 34.22 H new ATOM 0 HB3 LEU A 81 5.290 13.301 -14.080 1.00 34.22 H new ATOM 0 HG LEU A 81 6.152 12.887 -11.801 1.00 33.12 H new ATOM 0 HD11 LEU A 81 5.572 10.789 -10.647 1.00 51.32 H new ATOM 0 HD12 LEU A 81 4.160 11.858 -10.824 1.00 51.32 H new ATOM 0 HD13 LEU A 81 4.348 10.448 -11.893 1.00 51.32 H new ATOM 0 HD21 LEU A 81 7.375 10.814 -12.331 1.00 24.32 H new ATOM 0 HD22 LEU A 81 6.221 10.475 -13.643 1.00 24.32 H new ATOM 0 HD23 LEU A 81 7.280 11.902 -13.736 1.00 24.32 H new ATOM 1269 N TYR A 82 3.379 14.181 -10.429 1.00 32.41 N ATOM 1270 CA TYR A 82 3.758 14.764 -9.148 1.00 24.45 C ATOM 1271 C TYR A 82 4.733 13.856 -8.403 1.00 61.24 C ATOM 1272 O TYR A 82 4.458 12.675 -8.188 1.00 43.23 O ATOM 1273 CB TYR A 82 2.517 15.011 -8.288 1.00 44.24 C ATOM 1274 CG TYR A 82 1.903 16.378 -8.492 1.00 32.42 C ATOM 1275 CD1 TYR A 82 1.005 16.610 -9.527 1.00 31.15 C ATOM 1276 CD2 TYR A 82 2.221 17.436 -7.650 1.00 53.54 C ATOM 1277 CE1 TYR A 82 0.441 17.857 -9.717 1.00 23.21 C ATOM 1278 CE2 TYR A 82 1.661 18.686 -7.832 1.00 51.23 C ATOM 1279 CZ TYR A 82 0.772 18.891 -8.867 1.00 1.51 C ATOM 1280 OH TYR A 82 0.213 20.135 -9.052 1.00 44.32 O ATOM 0 H TYR A 82 2.495 13.673 -10.416 1.00 32.41 H new ATOM 0 HA TYR A 82 4.252 15.716 -9.344 1.00 24.45 H new ATOM 0 HB2 TYR A 82 1.771 14.249 -8.514 1.00 44.24 H new ATOM 0 HB3 TYR A 82 2.784 14.894 -7.238 1.00 44.24 H new ATOM 0 HD1 TYR A 82 0.744 15.802 -10.194 1.00 31.15 H new ATOM 0 HD2 TYR A 82 2.917 17.279 -6.840 1.00 53.54 H new ATOM 0 HE1 TYR A 82 -0.255 18.021 -10.526 1.00 23.21 H new ATOM 0 HE2 TYR A 82 1.918 19.498 -7.168 1.00 51.23 H new ATOM 0 HH TYR A 82 0.550 20.750 -8.368 1.00 44.32 H new ATOM 1290 N ARG A 83 5.873 14.417 -8.012 1.00 73.44 N ATOM 1291 CA ARG A 83 6.889 13.659 -7.293 1.00 4.24 C ATOM 1292 C ARG A 83 6.991 14.126 -5.844 1.00 1.15 C ATOM 1293 O ARG A 83 7.640 15.129 -5.548 1.00 73.24 O ATOM 1294 CB ARG A 83 8.247 13.804 -7.983 1.00 21.54 C ATOM 1295 CG ARG A 83 9.030 12.503 -8.066 1.00 15.04 C ATOM 1296 CD ARG A 83 10.467 12.687 -7.605 1.00 40.41 C ATOM 1297 NE ARG A 83 11.272 11.490 -7.831 1.00 70.01 N ATOM 1298 CZ ARG A 83 11.192 10.398 -7.079 1.00 4.13 C ATOM 1299 NH1 ARG A 83 10.348 10.353 -6.057 1.00 61.14 N ATOM 1300 NH2 ARG A 83 11.958 9.348 -7.348 1.00 1.34 N ATOM 0 H ARG A 83 6.116 15.393 -8.181 1.00 73.44 H new ATOM 0 HA ARG A 83 6.596 12.609 -7.299 1.00 4.24 H new ATOM 0 HB2 ARG A 83 8.094 14.191 -8.990 1.00 21.54 H new ATOM 0 HB3 ARG A 83 8.841 14.542 -7.445 1.00 21.54 H new ATOM 0 HG2 ARG A 83 8.544 11.745 -7.452 1.00 15.04 H new ATOM 0 HG3 ARG A 83 9.020 12.136 -9.092 1.00 15.04 H new ATOM 0 HD2 ARG A 83 10.913 13.529 -8.135 1.00 40.41 H new ATOM 0 HD3 ARG A 83 10.478 12.936 -6.544 1.00 40.41 H new ATOM 0 HE ARG A 83 11.932 11.492 -8.609 1.00 70.01 H new ATOM 0 HH11 ARG A 83 9.758 11.158 -5.847 1.00 61.14 H new ATOM 0 HH12 ARG A 83 10.289 9.513 -5.481 1.00 61.14 H new ATOM 0 HH21 ARG A 83 12.609 9.379 -8.133 1.00 1.34 H new ATOM 0 HH22 ARG A 83 11.896 8.510 -6.770 1.00 1.34 H new ATOM 1314 N ASN A 84 6.345 13.392 -4.944 1.00 31.42 N ATOM 1315 CA ASN A 84 6.362 13.731 -3.526 1.00 14.14 C ATOM 1316 C ASN A 84 5.537 14.986 -3.257 1.00 11.21 C ATOM 1317 O ASN A 84 5.796 15.720 -2.304 1.00 21.10 O ATOM 1318 CB ASN A 84 7.800 13.940 -3.047 1.00 13.12 C ATOM 1319 CG ASN A 84 7.950 13.719 -1.554 1.00 60.11 C ATOM 1320 OD1 ASN A 84 7.107 13.083 -0.922 1.00 20.54 O ATOM 1321 ND2 ASN A 84 9.028 14.245 -0.984 1.00 15.43 N ATOM 0 H ASN A 84 5.803 12.558 -5.172 1.00 31.42 H new ATOM 0 HA ASN A 84 5.920 12.901 -2.974 1.00 14.14 H new ATOM 0 HB2 ASN A 84 8.461 13.257 -3.581 1.00 13.12 H new ATOM 0 HB3 ASN A 84 8.119 14.952 -3.296 1.00 13.12 H new ATOM 0 HD21 ASN A 84 9.183 14.129 0.017 1.00 15.43 H new ATOM 0 HD22 ASN A 84 9.701 14.765 -1.548 1.00 15.43 H new ATOM 1328 N GLY A 85 4.541 15.226 -4.105 1.00 11.25 N ATOM 1329 CA GLY A 85 3.693 16.392 -3.942 1.00 12.55 C ATOM 1330 C GLY A 85 4.224 17.603 -4.683 1.00 14.42 C ATOM 1331 O GLY A 85 3.866 18.738 -4.367 1.00 30.33 O ATOM 0 H GLY A 85 4.307 14.634 -4.902 1.00 11.25 H new ATOM 0 HA2 GLY A 85 2.690 16.161 -4.301 1.00 12.55 H new ATOM 0 HA3 GLY A 85 3.605 16.628 -2.882 1.00 12.55 H new ATOM 1335 N GLN A 86 5.080 17.362 -5.670 1.00 41.41 N ATOM 1336 CA GLN A 86 5.663 18.443 -6.456 1.00 53.43 C ATOM 1337 C GLN A 86 5.918 17.996 -7.892 1.00 0.12 C ATOM 1338 O GLN A 86 6.632 17.023 -8.130 1.00 62.13 O ATOM 1339 CB GLN A 86 6.969 18.920 -5.818 1.00 54.01 C ATOM 1340 CG GLN A 86 7.254 20.396 -6.046 1.00 61.41 C ATOM 1341 CD GLN A 86 7.642 21.119 -4.771 1.00 60.35 C ATOM 1342 OE1 GLN A 86 8.107 20.503 -3.812 1.00 14.14 O ATOM 1343 NE2 GLN A 86 7.453 22.433 -4.755 1.00 42.02 N ATOM 0 H GLN A 86 5.385 16.428 -5.945 1.00 41.41 H new ATOM 0 HA GLN A 86 4.953 19.270 -6.473 1.00 53.43 H new ATOM 0 HB2 GLN A 86 6.932 18.727 -4.746 1.00 54.01 H new ATOM 0 HB3 GLN A 86 7.795 18.333 -6.219 1.00 54.01 H new ATOM 0 HG2 GLN A 86 8.057 20.499 -6.776 1.00 61.41 H new ATOM 0 HG3 GLN A 86 6.371 20.871 -6.474 1.00 61.41 H new ATOM 0 HE21 GLN A 86 7.065 22.902 -5.573 1.00 42.02 H new ATOM 0 HE22 GLN A 86 7.696 22.973 -3.925 1.00 42.02 H new ATOM 1352 N GLU A 87 5.329 18.713 -8.844 1.00 1.33 N ATOM 1353 CA GLU A 87 5.493 18.388 -10.256 1.00 13.23 C ATOM 1354 C GLU A 87 6.884 18.779 -10.746 1.00 52.14 C ATOM 1355 O GLU A 87 7.371 19.872 -10.459 1.00 3.40 O ATOM 1356 CB GLU A 87 4.427 19.099 -11.092 1.00 74.33 C ATOM 1357 CG GLU A 87 4.515 20.614 -11.031 1.00 15.35 C ATOM 1358 CD GLU A 87 5.030 21.222 -12.321 1.00 24.15 C ATOM 1359 OE1 GLU A 87 4.246 21.311 -13.289 1.00 3.35 O ATOM 1360 OE2 GLU A 87 6.217 21.607 -12.362 1.00 43.44 O ATOM 0 H GLU A 87 4.735 19.522 -8.663 1.00 1.33 H new ATOM 0 HA GLU A 87 5.376 17.310 -10.371 1.00 13.23 H new ATOM 0 HB2 GLU A 87 4.519 18.780 -12.130 1.00 74.33 H new ATOM 0 HB3 GLU A 87 3.441 18.787 -10.749 1.00 74.33 H new ATOM 0 HG2 GLU A 87 3.529 21.023 -10.810 1.00 15.35 H new ATOM 0 HG3 GLU A 87 5.171 20.903 -10.210 1.00 15.35 H new ATOM 1367 N VAL A 88 7.518 17.877 -11.488 1.00 63.04 N ATOM 1368 CA VAL A 88 8.853 18.126 -12.020 1.00 11.40 C ATOM 1369 C VAL A 88 8.808 18.376 -13.523 1.00 52.22 C ATOM 1370 O VAL A 88 9.544 19.213 -14.046 1.00 64.31 O ATOM 1371 CB VAL A 88 9.800 16.946 -11.735 1.00 61.31 C ATOM 1372 CG1 VAL A 88 9.086 15.622 -11.961 1.00 23.33 C ATOM 1373 CG2 VAL A 88 11.047 17.043 -12.601 1.00 22.21 C ATOM 0 H VAL A 88 7.129 16.967 -11.735 1.00 63.04 H new ATOM 0 HA VAL A 88 9.233 19.016 -11.518 1.00 11.40 H new ATOM 0 HB VAL A 88 10.106 16.993 -10.690 1.00 61.31 H new ATOM 0 HG11 VAL A 88 9.771 14.799 -11.755 1.00 23.33 H new ATOM 0 HG12 VAL A 88 8.226 15.554 -11.295 1.00 23.33 H new ATOM 0 HG13 VAL A 88 8.749 15.563 -12.996 1.00 23.33 H new ATOM 0 HG21 VAL A 88 11.705 16.201 -12.387 1.00 22.21 H new ATOM 0 HG22 VAL A 88 10.762 17.022 -13.653 1.00 22.21 H new ATOM 0 HG23 VAL A 88 11.568 17.975 -12.385 1.00 22.21 H new ATOM 1383 N ARG A 89 7.938 17.646 -14.213 1.00 60.41 N ATOM 1384 CA ARG A 89 7.797 17.787 -15.657 1.00 40.42 C ATOM 1385 C ARG A 89 6.326 17.797 -16.062 1.00 33.25 C ATOM 1386 O ARG A 89 5.515 17.053 -15.509 1.00 1.11 O ATOM 1387 CB ARG A 89 8.527 16.652 -16.376 1.00 62.43 C ATOM 1388 CG ARG A 89 9.780 17.101 -17.110 1.00 52.45 C ATOM 1389 CD ARG A 89 10.918 17.392 -16.144 1.00 73.24 C ATOM 1390 NE ARG A 89 11.604 18.640 -16.466 1.00 54.41 N ATOM 1391 CZ ARG A 89 12.473 18.766 -17.463 1.00 31.43 C ATOM 1392 NH1 ARG A 89 12.761 17.724 -18.231 1.00 35.12 N ATOM 1393 NH2 ARG A 89 13.056 19.935 -17.693 1.00 2.02 N ATOM 0 H ARG A 89 7.320 16.951 -13.795 1.00 60.41 H new ATOM 0 HA ARG A 89 8.243 18.738 -15.948 1.00 40.42 H new ATOM 0 HB2 ARG A 89 8.797 15.887 -15.648 1.00 62.43 H new ATOM 0 HB3 ARG A 89 7.846 16.187 -17.089 1.00 62.43 H new ATOM 0 HG2 ARG A 89 10.088 16.327 -17.814 1.00 52.45 H new ATOM 0 HG3 ARG A 89 9.560 17.994 -17.694 1.00 52.45 H new ATOM 0 HD2 ARG A 89 10.526 17.445 -15.128 1.00 73.24 H new ATOM 0 HD3 ARG A 89 11.633 16.569 -16.167 1.00 73.24 H new ATOM 0 HE ARG A 89 11.405 19.461 -15.894 1.00 54.41 H new ATOM 0 HH11 ARG A 89 12.315 16.823 -18.057 1.00 35.12 H new ATOM 0 HH12 ARG A 89 13.428 17.823 -18.996 1.00 35.12 H new ATOM 0 HH21 ARG A 89 12.837 20.739 -17.104 1.00 2.02 H new ATOM 0 HH22 ARG A 89 13.723 20.030 -18.459 1.00 2.02 H new ATOM 1407 N ARG A 90 5.988 18.644 -17.028 1.00 45.12 N ATOM 1408 CA ARG A 90 4.615 18.752 -17.505 1.00 71.31 C ATOM 1409 C ARG A 90 4.567 19.411 -18.880 1.00 51.52 C ATOM 1410 O ARG A 90 5.352 20.312 -19.175 1.00 43.23 O ATOM 1411 CB ARG A 90 3.770 19.553 -16.513 1.00 55.04 C ATOM 1412 CG ARG A 90 2.422 19.983 -17.070 1.00 20.11 C ATOM 1413 CD ARG A 90 2.492 21.369 -17.691 1.00 65.03 C ATOM 1414 NE ARG A 90 1.197 22.042 -17.675 1.00 53.53 N ATOM 1415 CZ ARG A 90 1.023 23.311 -18.029 1.00 5.23 C ATOM 1416 NH1 ARG A 90 2.058 24.040 -18.424 1.00 61.10 N ATOM 1417 NH2 ARG A 90 -0.187 23.853 -17.988 1.00 0.34 N ATOM 0 H ARG A 90 6.647 19.266 -17.496 1.00 45.12 H new ATOM 0 HA ARG A 90 4.206 17.745 -17.590 1.00 71.31 H new ATOM 0 HB2 ARG A 90 3.609 18.952 -15.618 1.00 55.04 H new ATOM 0 HB3 ARG A 90 4.327 20.439 -16.207 1.00 55.04 H new ATOM 0 HG2 ARG A 90 2.091 19.264 -17.819 1.00 20.11 H new ATOM 0 HG3 ARG A 90 1.679 19.978 -16.272 1.00 20.11 H new ATOM 0 HD2 ARG A 90 3.221 21.972 -17.150 1.00 65.03 H new ATOM 0 HD3 ARG A 90 2.846 21.288 -18.719 1.00 65.03 H new ATOM 0 HE ARG A 90 0.381 21.509 -17.376 1.00 53.53 H new ATOM 0 HH11 ARG A 90 2.990 23.627 -18.457 1.00 61.10 H new ATOM 0 HH12 ARG A 90 1.922 25.014 -18.695 1.00 61.10 H new ATOM 0 HH21 ARG A 90 -0.985 23.296 -17.684 1.00 0.34 H new ATOM 0 HH22 ARG A 90 -0.319 24.827 -18.260 1.00 0.34 H new ATOM 1431 N SER A 91 3.640 18.956 -19.717 1.00 43.13 N ATOM 1432 CA SER A 91 3.493 19.499 -21.063 1.00 34.23 C ATOM 1433 C SER A 91 2.131 19.137 -21.648 1.00 60.41 C ATOM 1434 O SER A 91 1.671 18.001 -21.522 1.00 2.33 O ATOM 1435 CB SER A 91 4.607 18.976 -21.972 1.00 34.14 C ATOM 1436 OG SER A 91 4.980 19.949 -22.932 1.00 73.52 O ATOM 0 H SER A 91 2.980 18.213 -19.487 1.00 43.13 H new ATOM 0 HA SER A 91 3.566 20.585 -21.000 1.00 34.23 H new ATOM 0 HB2 SER A 91 5.474 18.703 -21.370 1.00 34.14 H new ATOM 0 HB3 SER A 91 4.273 18.070 -22.478 1.00 34.14 H new ATOM 0 HG SER A 91 5.300 20.754 -22.474 1.00 73.52 H new ATOM 1442 N ILE A 92 1.492 20.110 -22.288 1.00 72.45 N ATOM 1443 CA ILE A 92 0.184 19.894 -22.894 1.00 73.14 C ATOM 1444 C ILE A 92 0.192 20.276 -24.371 1.00 11.14 C ATOM 1445 O ILE A 92 0.784 21.282 -24.759 1.00 22.01 O ATOM 1446 CB ILE A 92 -0.911 20.701 -22.173 1.00 12.54 C ATOM 1447 CG1 ILE A 92 -2.296 20.288 -22.676 1.00 23.24 C ATOM 1448 CG2 ILE A 92 -0.691 22.193 -22.377 1.00 70.13 C ATOM 1449 CD1 ILE A 92 -2.811 21.151 -23.806 1.00 63.11 C ATOM 0 H ILE A 92 1.858 21.055 -22.400 1.00 72.45 H new ATOM 0 HA ILE A 92 -0.036 18.831 -22.797 1.00 73.14 H new ATOM 0 HB ILE A 92 -0.855 20.487 -21.106 1.00 12.54 H new ATOM 0 HG12 ILE A 92 -2.258 19.251 -23.010 1.00 23.24 H new ATOM 0 HG13 ILE A 92 -3.002 20.330 -21.847 1.00 23.24 H new ATOM 0 HG21 ILE A 92 -1.473 22.750 -21.861 1.00 70.13 H new ATOM 0 HG22 ILE A 92 0.282 22.476 -21.974 1.00 70.13 H new ATOM 0 HG23 ILE A 92 -0.724 22.423 -23.442 1.00 70.13 H new ATOM 0 HD11 ILE A 92 -3.797 20.800 -24.111 1.00 63.11 H new ATOM 0 HD12 ILE A 92 -2.882 22.186 -23.470 1.00 63.11 H new ATOM 0 HD13 ILE A 92 -2.126 21.090 -24.652 1.00 63.11 H new ATOM 1461 N GLY A 93 -0.472 19.466 -25.190 1.00 1.01 N ATOM 1462 CA GLY A 93 -0.530 19.737 -26.614 1.00 72.14 C ATOM 1463 C GLY A 93 0.431 18.874 -27.408 1.00 52.54 C ATOM 1464 O GLY A 93 1.204 19.382 -28.219 1.00 44.15 O ATOM 0 H GLY A 93 -0.971 18.627 -24.893 1.00 1.01 H new ATOM 0 HA2 GLY A 93 -1.546 19.568 -26.972 1.00 72.14 H new ATOM 0 HA3 GLY A 93 -0.300 20.788 -26.790 1.00 72.14 H new ATOM 1468 N GLU A 94 0.383 17.567 -27.173 1.00 72.12 N ATOM 1469 CA GLU A 94 1.258 16.633 -27.872 1.00 4.25 C ATOM 1470 C GLU A 94 2.725 16.976 -27.627 1.00 41.33 C ATOM 1471 O GLU A 94 3.282 17.867 -28.269 1.00 41.54 O ATOM 1472 CB GLU A 94 0.963 16.648 -29.373 1.00 0.02 C ATOM 1473 CG GLU A 94 1.994 15.903 -30.203 1.00 61.34 C ATOM 1474 CD GLU A 94 1.364 15.048 -31.286 1.00 0.10 C ATOM 1475 OE1 GLU A 94 1.692 13.845 -31.357 1.00 35.12 O ATOM 1476 OE2 GLU A 94 0.544 15.582 -32.062 1.00 22.30 O ATOM 0 H GLU A 94 -0.252 17.131 -26.504 1.00 72.12 H new ATOM 0 HA GLU A 94 1.066 15.633 -27.482 1.00 4.25 H new ATOM 0 HB2 GLU A 94 -0.018 16.207 -29.546 1.00 0.02 H new ATOM 0 HB3 GLU A 94 0.912 17.682 -29.714 1.00 0.02 H new ATOM 0 HG2 GLU A 94 2.673 16.621 -30.662 1.00 61.34 H new ATOM 0 HG3 GLU A 94 2.593 15.270 -29.548 1.00 61.34 H new ATOM 1483 N THR A 95 3.346 16.263 -26.693 1.00 62.42 N ATOM 1484 CA THR A 95 4.747 16.491 -26.362 1.00 11.52 C ATOM 1485 C THR A 95 5.457 15.181 -26.042 1.00 4.31 C ATOM 1486 O THR A 95 4.870 14.105 -26.143 1.00 75.52 O ATOM 1487 CB THR A 95 4.891 17.447 -25.162 1.00 65.12 C ATOM 1488 OG1 THR A 95 3.598 17.811 -24.668 1.00 1.54 O ATOM 1489 CG2 THR A 95 5.660 18.699 -25.557 1.00 64.30 C ATOM 0 H THR A 95 2.900 15.522 -26.152 1.00 62.42 H new ATOM 0 HA THR A 95 5.209 16.946 -27.238 1.00 11.52 H new ATOM 0 HB THR A 95 5.446 16.931 -24.379 1.00 65.12 H new ATOM 0 HG1 THR A 95 3.591 18.764 -24.440 1.00 1.54 H new ATOM 0 HG21 THR A 95 5.749 19.359 -24.694 1.00 64.30 H new ATOM 0 HG22 THR A 95 6.655 18.420 -25.905 1.00 64.30 H new ATOM 0 HG23 THR A 95 5.128 19.216 -26.356 1.00 64.30 H new ATOM 1497 N SER A 96 6.725 15.280 -25.655 1.00 1.12 N ATOM 1498 CA SER A 96 7.517 14.102 -25.323 1.00 20.43 C ATOM 1499 C SER A 96 8.639 14.457 -24.352 1.00 20.11 C ATOM 1500 O SER A 96 8.675 13.999 -23.210 1.00 35.24 O ATOM 1501 CB SER A 96 8.103 13.481 -26.592 1.00 62.32 C ATOM 1502 OG SER A 96 7.851 14.297 -27.723 1.00 3.55 O ATOM 0 H SER A 96 7.226 16.164 -25.564 1.00 1.12 H new ATOM 0 HA SER A 96 6.860 13.377 -24.842 1.00 20.43 H new ATOM 0 HB2 SER A 96 9.178 13.344 -26.471 1.00 62.32 H new ATOM 0 HB3 SER A 96 7.671 12.493 -26.750 1.00 62.32 H new ATOM 0 HG SER A 96 8.237 13.879 -28.521 1.00 3.55 H new ATOM 1508 N PRO A 97 9.579 15.294 -24.816 1.00 30.30 N ATOM 1509 CA PRO A 97 10.720 15.730 -24.006 1.00 11.33 C ATOM 1510 C PRO A 97 10.304 16.667 -22.876 1.00 63.15 C ATOM 1511 O PRO A 97 11.087 16.944 -21.967 1.00 73.04 O ATOM 1512 CB PRO A 97 11.608 16.467 -25.012 1.00 22.44 C ATOM 1513 CG PRO A 97 10.673 16.928 -26.076 1.00 64.52 C ATOM 1514 CD PRO A 97 9.600 15.878 -26.167 1.00 50.53 C ATOM 0 HA PRO A 97 11.214 14.893 -23.514 1.00 11.33 H new ATOM 0 HB2 PRO A 97 12.122 17.307 -24.545 1.00 22.44 H new ATOM 0 HB3 PRO A 97 12.376 15.809 -25.418 1.00 22.44 H new ATOM 0 HG2 PRO A 97 10.248 17.900 -25.827 1.00 64.52 H new ATOM 0 HG3 PRO A 97 11.191 17.041 -27.029 1.00 64.52 H new ATOM 0 HD2 PRO A 97 8.636 16.311 -26.433 1.00 50.53 H new ATOM 0 HD3 PRO A 97 9.833 15.130 -26.925 1.00 50.53 H new ATOM 1522 N SER A 98 9.068 17.151 -22.940 1.00 42.42 N ATOM 1523 CA SER A 98 8.550 18.060 -21.924 1.00 71.12 C ATOM 1524 C SER A 98 7.696 17.308 -20.908 1.00 2.03 C ATOM 1525 O SER A 98 7.956 17.357 -19.706 1.00 15.13 O ATOM 1526 CB SER A 98 7.726 19.172 -22.577 1.00 33.44 C ATOM 1527 OG SER A 98 8.524 19.954 -23.447 1.00 40.42 O ATOM 0 H SER A 98 8.407 16.929 -23.684 1.00 42.42 H new ATOM 0 HA SER A 98 9.398 18.504 -21.402 1.00 71.12 H new ATOM 0 HB2 SER A 98 6.897 18.735 -23.133 1.00 33.44 H new ATOM 0 HB3 SER A 98 7.292 19.808 -21.806 1.00 33.44 H new ATOM 0 HG SER A 98 7.974 20.656 -23.853 1.00 40.42 H new ATOM 1533 N ALA A 99 6.676 16.613 -21.400 1.00 63.50 N ATOM 1534 CA ALA A 99 5.785 15.848 -20.536 1.00 51.42 C ATOM 1535 C ALA A 99 6.330 14.446 -20.288 1.00 1.12 C ATOM 1536 O ALA A 99 6.665 14.090 -19.157 1.00 50.31 O ATOM 1537 CB ALA A 99 4.393 15.775 -21.147 1.00 1.34 C ATOM 0 H ALA A 99 6.446 16.564 -22.392 1.00 63.50 H new ATOM 0 HA ALA A 99 5.723 16.360 -19.576 1.00 51.42 H new ATOM 0 HB1 ALA A 99 3.738 15.201 -20.492 1.00 1.34 H new ATOM 0 HB2 ALA A 99 3.995 16.783 -21.266 1.00 1.34 H new ATOM 0 HB3 ALA A 99 4.448 15.289 -22.121 1.00 1.34 H new ATOM 1543 N LEU A 100 6.416 13.653 -21.350 1.00 40.21 N ATOM 1544 CA LEU A 100 6.920 12.288 -21.247 1.00 43.22 C ATOM 1545 C LEU A 100 8.255 12.255 -20.509 1.00 35.23 C ATOM 1546 O LEU A 100 8.637 11.230 -19.944 1.00 43.20 O ATOM 1547 CB LEU A 100 7.080 11.676 -22.640 1.00 11.10 C ATOM 1548 CG LEU A 100 8.112 10.555 -22.766 1.00 42.13 C ATOM 1549 CD1 LEU A 100 7.705 9.357 -21.923 1.00 30.01 C ATOM 1550 CD2 LEU A 100 8.284 10.150 -24.223 1.00 44.41 C ATOM 0 H LEU A 100 6.143 13.932 -22.293 1.00 40.21 H new ATOM 0 HA LEU A 100 6.197 11.702 -20.680 1.00 43.22 H new ATOM 0 HB2 LEU A 100 6.112 11.289 -22.958 1.00 11.10 H new ATOM 0 HB3 LEU A 100 7.350 12.471 -23.335 1.00 11.10 H new ATOM 0 HG LEU A 100 9.068 10.925 -22.397 1.00 42.13 H new ATOM 0 HD11 LEU A 100 8.452 8.569 -22.026 1.00 30.01 H new ATOM 0 HD12 LEU A 100 7.634 9.655 -20.877 1.00 30.01 H new ATOM 0 HD13 LEU A 100 6.737 8.986 -22.261 1.00 30.01 H new ATOM 0 HD21 LEU A 100 9.022 9.351 -24.294 1.00 44.41 H new ATOM 0 HD22 LEU A 100 7.331 9.799 -24.618 1.00 44.41 H new ATOM 0 HD23 LEU A 100 8.623 11.009 -24.802 1.00 44.41 H new ATOM 1562 N SER A 101 8.957 13.383 -20.516 1.00 2.04 N ATOM 1563 CA SER A 101 10.250 13.483 -19.848 1.00 33.33 C ATOM 1564 C SER A 101 10.125 13.134 -18.368 1.00 33.42 C ATOM 1565 O SER A 101 11.117 12.837 -17.703 1.00 4.45 O ATOM 1566 CB SER A 101 10.821 14.893 -20.004 1.00 50.22 C ATOM 1567 OG SER A 101 11.706 15.206 -18.942 1.00 72.23 O ATOM 0 H SER A 101 8.653 14.241 -20.977 1.00 2.04 H new ATOM 0 HA SER A 101 10.929 12.770 -20.316 1.00 33.33 H new ATOM 0 HB2 SER A 101 11.347 14.972 -20.955 1.00 50.22 H new ATOM 0 HB3 SER A 101 10.007 15.618 -20.029 1.00 50.22 H new ATOM 0 HG SER A 101 12.625 15.242 -19.282 1.00 72.23 H new ATOM 1573 N ASP A 102 8.898 13.171 -17.859 1.00 61.03 N ATOM 1574 CA ASP A 102 8.641 12.858 -16.458 1.00 62.24 C ATOM 1575 C ASP A 102 8.476 11.354 -16.259 1.00 3.51 C ATOM 1576 O ASP A 102 8.675 10.838 -15.159 1.00 14.10 O ATOM 1577 CB ASP A 102 7.390 13.590 -15.971 1.00 73.22 C ATOM 1578 CG ASP A 102 7.539 14.112 -14.556 1.00 14.03 C ATOM 1579 OD1 ASP A 102 6.789 15.039 -14.183 1.00 35.42 O ATOM 1580 OD2 ASP A 102 8.404 13.594 -13.821 1.00 25.44 O ATOM 0 H ASP A 102 8.066 13.415 -18.396 1.00 61.03 H new ATOM 0 HA ASP A 102 9.498 13.192 -15.873 1.00 62.24 H new ATOM 0 HB2 ASP A 102 7.175 14.422 -16.641 1.00 73.22 H new ATOM 0 HB3 ASP A 102 6.536 12.914 -16.018 1.00 73.22 H new ATOM 1585 N PHE A 103 8.111 10.657 -17.330 1.00 1.33 N ATOM 1586 CA PHE A 103 7.917 9.213 -17.272 1.00 42.11 C ATOM 1587 C PHE A 103 9.255 8.482 -17.331 1.00 63.13 C ATOM 1588 O PHE A 103 9.386 7.362 -16.836 1.00 62.31 O ATOM 1589 CB PHE A 103 7.020 8.751 -18.422 1.00 14.41 C ATOM 1590 CG PHE A 103 5.961 7.773 -18.000 1.00 53.32 C ATOM 1591 CD1 PHE A 103 6.231 6.810 -17.042 1.00 71.40 C ATOM 1592 CD2 PHE A 103 4.695 7.817 -18.562 1.00 50.14 C ATOM 1593 CE1 PHE A 103 5.259 5.908 -16.651 1.00 54.24 C ATOM 1594 CE2 PHE A 103 3.719 6.919 -18.175 1.00 74.24 C ATOM 1595 CZ PHE A 103 4.001 5.962 -17.220 1.00 1.43 C ATOM 0 H PHE A 103 7.944 11.069 -18.248 1.00 1.33 H new ATOM 0 HA PHE A 103 7.434 8.974 -16.325 1.00 42.11 H new ATOM 0 HB2 PHE A 103 6.541 9.621 -18.871 1.00 14.41 H new ATOM 0 HB3 PHE A 103 7.639 8.294 -19.194 1.00 14.41 H new ATOM 0 HD1 PHE A 103 7.213 6.763 -16.595 1.00 71.40 H new ATOM 0 HD2 PHE A 103 4.469 8.562 -19.311 1.00 50.14 H new ATOM 0 HE1 PHE A 103 5.483 5.163 -15.902 1.00 54.24 H new ATOM 0 HE2 PHE A 103 2.736 6.965 -18.619 1.00 74.24 H new ATOM 0 HZ PHE A 103 3.240 5.257 -16.919 1.00 1.43 H new ATOM 1605 N LEU A 104 10.246 9.123 -17.941 1.00 2.01 N ATOM 1606 CA LEU A 104 11.575 8.535 -18.066 1.00 63.33 C ATOM 1607 C LEU A 104 12.501 9.041 -16.965 1.00 42.42 C ATOM 1608 O LEU A 104 13.568 8.474 -16.725 1.00 53.21 O ATOM 1609 CB LEU A 104 12.170 8.858 -19.438 1.00 4.22 C ATOM 1610 CG LEU A 104 12.530 10.324 -19.685 1.00 25.44 C ATOM 1611 CD1 LEU A 104 13.991 10.579 -19.345 1.00 72.14 C ATOM 1612 CD2 LEU A 104 12.241 10.708 -21.128 1.00 42.12 C ATOM 0 H LEU A 104 10.154 10.050 -18.357 1.00 2.01 H new ATOM 0 HA LEU A 104 11.478 7.454 -17.964 1.00 63.33 H new ATOM 0 HB2 LEU A 104 13.069 8.256 -19.573 1.00 4.22 H new ATOM 0 HB3 LEU A 104 11.459 8.545 -20.203 1.00 4.22 H new ATOM 0 HG LEU A 104 11.913 10.945 -19.035 1.00 25.44 H new ATOM 0 HD11 LEU A 104 14.229 11.627 -19.527 1.00 72.14 H new ATOM 0 HD12 LEU A 104 14.167 10.344 -18.295 1.00 72.14 H new ATOM 0 HD13 LEU A 104 14.625 9.949 -19.969 1.00 72.14 H new ATOM 0 HD21 LEU A 104 12.503 11.754 -21.286 1.00 42.12 H new ATOM 0 HD22 LEU A 104 12.831 10.081 -21.796 1.00 42.12 H new ATOM 0 HD23 LEU A 104 11.181 10.564 -21.338 1.00 42.12 H new ATOM 1624 N THR A 105 12.086 10.113 -16.296 1.00 71.40 N ATOM 1625 CA THR A 105 12.877 10.695 -15.220 1.00 12.44 C ATOM 1626 C THR A 105 12.064 10.800 -13.934 1.00 73.24 C ATOM 1627 O THR A 105 12.433 11.527 -13.012 1.00 42.24 O ATOM 1628 CB THR A 105 13.398 12.094 -15.599 1.00 53.42 C ATOM 1629 OG1 THR A 105 13.464 12.222 -17.024 1.00 3.52 O ATOM 1630 CG2 THR A 105 14.773 12.341 -14.998 1.00 0.32 C ATOM 0 H THR A 105 11.206 10.595 -16.481 1.00 71.40 H new ATOM 0 HA THR A 105 13.726 10.031 -15.057 1.00 12.44 H new ATOM 0 HB THR A 105 12.707 12.836 -15.199 1.00 53.42 H new ATOM 0 HG1 THR A 105 12.565 12.382 -17.380 1.00 3.52 H new ATOM 0 HG21 THR A 105 15.120 13.335 -15.280 1.00 0.32 H new ATOM 0 HG22 THR A 105 14.713 12.272 -13.912 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.473 11.593 -15.371 1.00 0.32 H new ATOM 1638 N ARG A 106 10.956 10.068 -13.880 1.00 14.24 N ATOM 1639 CA ARG A 106 10.090 10.079 -12.707 1.00 11.34 C ATOM 1640 C ARG A 106 10.904 9.903 -11.428 1.00 62.43 C ATOM 1641 O ARG A 106 10.595 10.499 -10.396 1.00 61.25 O ATOM 1642 CB ARG A 106 9.039 8.973 -12.812 1.00 32.25 C ATOM 1643 CG ARG A 106 8.338 8.672 -11.497 1.00 22.43 C ATOM 1644 CD ARG A 106 8.862 7.390 -10.867 1.00 41.31 C ATOM 1645 NE ARG A 106 8.554 7.315 -9.442 1.00 12.14 N ATOM 1646 CZ ARG A 106 9.207 6.534 -8.588 1.00 45.55 C ATOM 1647 NH1 ARG A 106 10.201 5.767 -9.015 1.00 32.32 N ATOM 1648 NH2 ARG A 106 8.868 6.521 -7.306 1.00 2.23 N ATOM 0 H ARG A 106 10.637 9.460 -14.634 1.00 14.24 H new ATOM 0 HA ARG A 106 9.587 11.045 -12.667 1.00 11.34 H new ATOM 0 HB2 ARG A 106 8.294 9.261 -13.554 1.00 32.25 H new ATOM 0 HB3 ARG A 106 9.516 8.063 -13.176 1.00 32.25 H new ATOM 0 HG2 ARG A 106 8.483 9.503 -10.807 1.00 22.43 H new ATOM 0 HG3 ARG A 106 7.265 8.583 -11.667 1.00 22.43 H new ATOM 0 HD2 ARG A 106 8.427 6.531 -11.378 1.00 41.31 H new ATOM 0 HD3 ARG A 106 9.941 7.332 -11.008 1.00 41.31 H new ATOM 0 HE ARG A 106 7.796 7.894 -9.082 1.00 12.14 H new ATOM 0 HH11 ARG A 106 10.465 5.776 -10.000 1.00 32.32 H new ATOM 0 HH12 ARG A 106 10.701 5.168 -8.358 1.00 32.32 H new ATOM 0 HH21 ARG A 106 8.105 7.111 -6.974 1.00 2.23 H new ATOM 0 HH22 ARG A 106 9.370 5.921 -6.652 1.00 2.23 H new TER 1662 ARG A 106