USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 472 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 59 HIS : no HE2:sc= -6.74! C(o=-13!,f=-10!) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -5.92! C(o=-13!,f=-9.1!) USER MOD Set 2.1: A 44 THR OG1 : rot 66:sc= 1.03 USER MOD Set 2.2: A 46 ASN : amide:sc= 0.36 K(o=1.4,f=0.67) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 1.24 (180deg=-0.608) USER MOD Single : A 9 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.55) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.12! C(o=-1.1!,f=-6.3!) USER MOD Single : A 16 GLN : amide:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 17 SER OG : rot -3:sc= 0.812! USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0461 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -115:sc= 0.856 (180deg=-0.272) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -122:sc= -1.18 USER MOD Single : A 52 THR OG1 : rot -52:sc= 0.232 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc=-0.00481 X(o=-0.0048,f=-0.16) USER MOD Single : A 62 HIS : no HD1:sc= -5.66! C(o=-5.7!,f=-10!) USER MOD Single : A 63 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-3.8!) USER MOD Single : A 64 HIS : no HD1:sc= -0.016 X(o=-0.016,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 84.421 0.786 26.983 1.00 1.00 N ATOM 2 CA MET A 1 84.039 -0.537 26.413 1.00 1.00 C ATOM 3 C MET A 1 83.677 -0.369 24.942 1.00 1.00 C ATOM 4 O MET A 1 84.141 -1.125 24.089 1.00 1.00 O ATOM 5 CB MET A 1 82.842 -1.096 27.185 1.00 1.00 C ATOM 6 CG MET A 1 83.176 -1.149 28.677 1.00 1.00 C ATOM 7 SD MET A 1 82.653 0.393 29.468 1.00 1.00 S ATOM 8 CE MET A 1 81.352 -0.315 30.509 1.00 1.00 C ATOM 0 H1 MET A 1 85.359 0.715 27.427 1.00 1.00 H new ATOM 0 H2 MET A 1 84.450 1.496 26.224 1.00 1.00 H new ATOM 0 H3 MET A 1 83.721 1.072 27.697 1.00 1.00 H new ATOM 0 HA MET A 1 84.876 -1.230 26.499 1.00 1.00 H new ATOM 0 HB2 MET A 1 81.965 -0.470 27.020 1.00 1.00 H new ATOM 0 HB3 MET A 1 82.595 -2.093 26.821 1.00 1.00 H new ATOM 0 HG2 MET A 1 82.675 -1.997 29.143 1.00 1.00 H new ATOM 0 HG3 MET A 1 84.247 -1.296 28.816 1.00 1.00 H new ATOM 0 HE1 MET A 1 80.885 0.476 31.096 1.00 1.00 H new ATOM 0 HE2 MET A 1 80.601 -0.791 29.879 1.00 1.00 H new ATOM 0 HE3 MET A 1 81.786 -1.056 31.180 1.00 1.00 H new ATOM 20 N GLU A 2 82.845 0.625 24.652 1.00 1.00 N ATOM 21 CA GLU A 2 82.428 0.884 23.279 1.00 1.00 C ATOM 22 C GLU A 2 81.605 -0.283 22.742 1.00 1.00 C ATOM 23 O GLU A 2 81.155 -0.262 21.596 1.00 1.00 O ATOM 24 CB GLU A 2 83.654 1.097 22.391 1.00 1.00 C ATOM 25 CG GLU A 2 83.315 2.093 21.280 1.00 1.00 C ATOM 26 CD GLU A 2 83.284 3.509 21.842 1.00 1.00 C ATOM 27 OE1 GLU A 2 83.529 3.662 23.028 1.00 1.00 O ATOM 28 OE2 GLU A 2 83.016 4.422 21.078 1.00 1.00 O ATOM 0 H GLU A 2 82.448 1.261 25.344 1.00 1.00 H new ATOM 0 HA GLU A 2 81.813 1.784 23.269 1.00 1.00 H new ATOM 0 HB2 GLU A 2 84.487 1.471 22.987 1.00 1.00 H new ATOM 0 HB3 GLU A 2 83.972 0.148 21.958 1.00 1.00 H new ATOM 0 HG2 GLU A 2 84.054 2.026 20.482 1.00 1.00 H new ATOM 0 HG3 GLU A 2 82.348 1.846 20.841 1.00 1.00 H new ATOM 35 N GLU A 3 81.413 -1.299 23.575 1.00 1.00 N ATOM 36 CA GLU A 3 80.643 -2.469 23.173 1.00 1.00 C ATOM 37 C GLU A 3 81.199 -3.059 21.880 1.00 1.00 C ATOM 38 O GLU A 3 80.566 -3.906 21.249 1.00 1.00 O ATOM 39 CB GLU A 3 79.175 -2.085 22.970 1.00 1.00 C ATOM 40 CG GLU A 3 78.612 -1.516 24.274 1.00 1.00 C ATOM 41 CD GLU A 3 79.119 -0.093 24.483 1.00 1.00 C ATOM 42 OE1 GLU A 3 79.132 0.657 23.521 1.00 1.00 O ATOM 43 OE2 GLU A 3 79.487 0.226 25.601 1.00 1.00 O ATOM 0 H GLU A 3 81.777 -1.336 24.527 1.00 1.00 H new ATOM 0 HA GLU A 3 80.717 -3.217 23.962 1.00 1.00 H new ATOM 0 HB2 GLU A 3 79.088 -1.348 22.172 1.00 1.00 H new ATOM 0 HB3 GLU A 3 78.599 -2.958 22.663 1.00 1.00 H new ATOM 0 HG2 GLU A 3 77.522 -1.522 24.243 1.00 1.00 H new ATOM 0 HG3 GLU A 3 78.910 -2.144 25.113 1.00 1.00 H new ATOM 50 N GLY A 4 82.385 -2.603 21.492 1.00 1.00 N ATOM 51 CA GLY A 4 83.019 -3.092 20.273 1.00 1.00 C ATOM 52 C GLY A 4 82.016 -3.152 19.125 1.00 1.00 C ATOM 53 O GLY A 4 81.374 -4.179 18.902 1.00 1.00 O ATOM 0 H GLY A 4 82.923 -1.901 21.999 1.00 1.00 H new ATOM 0 HA2 GLY A 4 83.849 -2.439 20.003 1.00 1.00 H new ATOM 0 HA3 GLY A 4 83.437 -4.083 20.448 1.00 1.00 H new ATOM 57 N GLY A 5 81.887 -2.046 18.400 1.00 1.00 N ATOM 58 CA GLY A 5 80.960 -1.984 17.276 1.00 1.00 C ATOM 59 C GLY A 5 81.703 -2.085 15.949 1.00 1.00 C ATOM 60 O GLY A 5 81.168 -1.732 14.898 1.00 1.00 O ATOM 0 H GLY A 5 82.409 -1.186 18.569 1.00 1.00 H new ATOM 0 HA2 GLY A 5 80.235 -2.794 17.353 1.00 1.00 H new ATOM 0 HA3 GLY A 5 80.400 -1.050 17.313 1.00 1.00 H new ATOM 64 N ASP A 6 82.940 -2.569 16.005 1.00 1.00 N ATOM 65 CA ASP A 6 83.748 -2.713 14.799 1.00 1.00 C ATOM 66 C ASP A 6 83.718 -4.154 14.303 1.00 1.00 C ATOM 67 O ASP A 6 83.774 -4.406 13.099 1.00 1.00 O ATOM 68 CB ASP A 6 85.193 -2.300 15.087 1.00 1.00 C ATOM 69 CG ASP A 6 85.458 -2.344 16.588 1.00 1.00 C ATOM 70 OD1 ASP A 6 85.108 -1.387 17.260 1.00 1.00 O ATOM 71 OD2 ASP A 6 86.009 -3.333 17.044 1.00 1.00 O ATOM 0 H ASP A 6 83.402 -2.866 16.865 1.00 1.00 H new ATOM 0 HA ASP A 6 83.332 -2.066 14.026 1.00 1.00 H new ATOM 0 HB2 ASP A 6 85.881 -2.967 14.568 1.00 1.00 H new ATOM 0 HB3 ASP A 6 85.376 -1.295 14.706 1.00 1.00 H new ATOM 76 N PHE A 7 83.630 -5.095 15.240 1.00 1.00 N ATOM 77 CA PHE A 7 83.594 -6.514 14.894 1.00 1.00 C ATOM 78 C PHE A 7 82.370 -7.182 15.513 1.00 1.00 C ATOM 79 O PHE A 7 82.457 -8.289 16.043 1.00 1.00 O ATOM 80 CB PHE A 7 84.862 -7.206 15.395 1.00 1.00 C ATOM 81 CG PHE A 7 84.998 -8.553 14.726 1.00 1.00 C ATOM 82 CD1 PHE A 7 85.443 -8.635 13.401 1.00 1.00 C ATOM 83 CD2 PHE A 7 84.678 -9.720 15.430 1.00 1.00 C ATOM 84 CE1 PHE A 7 85.569 -9.884 12.781 1.00 1.00 C ATOM 85 CE2 PHE A 7 84.803 -10.968 14.810 1.00 1.00 C ATOM 86 CZ PHE A 7 85.249 -11.051 13.485 1.00 1.00 C ATOM 0 H PHE A 7 83.582 -4.902 16.240 1.00 1.00 H new ATOM 0 HA PHE A 7 83.536 -6.604 13.809 1.00 1.00 H new ATOM 0 HB2 PHE A 7 85.735 -6.590 15.178 1.00 1.00 H new ATOM 0 HB3 PHE A 7 84.819 -7.328 16.477 1.00 1.00 H new ATOM 0 HD1 PHE A 7 85.689 -7.735 12.857 1.00 1.00 H new ATOM 0 HD2 PHE A 7 84.335 -9.657 16.452 1.00 1.00 H new ATOM 0 HE1 PHE A 7 85.913 -9.947 11.759 1.00 1.00 H new ATOM 0 HE2 PHE A 7 84.555 -11.868 15.353 1.00 1.00 H new ATOM 0 HZ PHE A 7 85.346 -12.014 13.007 1.00 1.00 H new ATOM 96 N ASP A 8 81.230 -6.502 15.439 1.00 1.00 N ATOM 97 CA ASP A 8 79.995 -7.040 15.995 1.00 1.00 C ATOM 98 C ASP A 8 78.787 -6.522 15.219 1.00 1.00 C ATOM 99 O ASP A 8 77.796 -6.092 15.808 1.00 1.00 O ATOM 100 CB ASP A 8 79.867 -6.641 17.467 1.00 1.00 C ATOM 101 CG ASP A 8 80.977 -7.295 18.282 1.00 1.00 C ATOM 102 OD1 ASP A 8 80.787 -8.423 18.708 1.00 1.00 O ATOM 103 OD2 ASP A 8 82.002 -6.659 18.469 1.00 1.00 O ATOM 0 H ASP A 8 81.136 -5.585 15.003 1.00 1.00 H new ATOM 0 HA ASP A 8 80.026 -8.127 15.914 1.00 1.00 H new ATOM 0 HB2 ASP A 8 79.923 -5.557 17.565 1.00 1.00 H new ATOM 0 HB3 ASP A 8 78.894 -6.946 17.852 1.00 1.00 H new ATOM 108 N ASN A 9 78.880 -6.568 13.895 1.00 1.00 N ATOM 109 CA ASN A 9 77.789 -6.101 13.046 1.00 1.00 C ATOM 110 C ASN A 9 77.750 -6.888 11.740 1.00 1.00 C ATOM 111 O ASN A 9 76.737 -7.500 11.403 1.00 1.00 O ATOM 112 CB ASN A 9 77.965 -4.611 12.742 1.00 1.00 C ATOM 113 CG ASN A 9 77.644 -3.785 13.982 1.00 1.00 C ATOM 114 OD1 ASN A 9 78.540 -3.185 14.578 1.00 1.00 O ATOM 115 ND2 ASN A 9 76.413 -3.717 14.411 1.00 1.00 N ATOM 0 H ASN A 9 79.692 -6.921 13.389 1.00 1.00 H new ATOM 0 HA ASN A 9 76.850 -6.255 13.577 1.00 1.00 H new ATOM 0 HB2 ASN A 9 78.988 -4.415 12.419 1.00 1.00 H new ATOM 0 HB3 ASN A 9 77.310 -4.319 11.921 1.00 1.00 H new ATOM 0 HD21 ASN A 9 76.192 -3.167 15.241 1.00 1.00 H new ATOM 0 HD22 ASN A 9 75.672 -4.214 13.916 1.00 1.00 H new ATOM 122 N TYR A 10 78.860 -6.866 11.010 1.00 1.00 N ATOM 123 CA TYR A 10 78.942 -7.582 9.742 1.00 1.00 C ATOM 124 C TYR A 10 79.046 -9.085 9.979 1.00 1.00 C ATOM 125 O TYR A 10 79.389 -9.844 9.073 1.00 1.00 O ATOM 126 CB TYR A 10 80.159 -7.103 8.948 1.00 1.00 C ATOM 127 CG TYR A 10 80.043 -5.619 8.695 1.00 1.00 C ATOM 128 CD1 TYR A 10 80.397 -4.708 9.698 1.00 1.00 C ATOM 129 CD2 TYR A 10 79.581 -5.153 7.459 1.00 1.00 C ATOM 130 CE1 TYR A 10 80.290 -3.332 9.463 1.00 1.00 C ATOM 131 CE2 TYR A 10 79.473 -3.777 7.224 1.00 1.00 C ATOM 132 CZ TYR A 10 79.828 -2.866 8.226 1.00 1.00 C ATOM 133 OH TYR A 10 79.722 -1.510 7.995 1.00 1.00 O ATOM 0 H TYR A 10 79.709 -6.365 11.272 1.00 1.00 H new ATOM 0 HA TYR A 10 78.035 -7.378 9.174 1.00 1.00 H new ATOM 0 HB2 TYR A 10 81.074 -7.318 9.500 1.00 1.00 H new ATOM 0 HB3 TYR A 10 80.224 -7.640 8.002 1.00 1.00 H new ATOM 0 HD1 TYR A 10 80.752 -5.067 10.653 1.00 1.00 H new ATOM 0 HD2 TYR A 10 79.307 -5.855 6.686 1.00 1.00 H new ATOM 0 HE1 TYR A 10 80.564 -2.630 10.236 1.00 1.00 H new ATOM 0 HE2 TYR A 10 79.116 -3.418 6.270 1.00 1.00 H new ATOM 0 HH TYR A 10 79.387 -1.358 7.087 1.00 1.00 H new ATOM 143 N TYR A 11 78.749 -9.507 11.204 1.00 1.00 N ATOM 144 CA TYR A 11 78.814 -10.923 11.550 1.00 1.00 C ATOM 145 C TYR A 11 77.615 -11.320 12.407 1.00 1.00 C ATOM 146 O TYR A 11 77.637 -11.172 13.628 1.00 1.00 O ATOM 147 CB TYR A 11 80.108 -11.216 12.311 1.00 1.00 C ATOM 148 CG TYR A 11 81.290 -10.984 11.402 1.00 1.00 C ATOM 149 CD1 TYR A 11 81.768 -9.684 11.193 1.00 1.00 C ATOM 150 CD2 TYR A 11 81.908 -12.067 10.766 1.00 1.00 C ATOM 151 CE1 TYR A 11 82.865 -9.469 10.350 1.00 1.00 C ATOM 152 CE2 TYR A 11 83.005 -11.852 9.923 1.00 1.00 C ATOM 153 CZ TYR A 11 83.484 -10.552 9.715 1.00 1.00 C ATOM 154 OH TYR A 11 84.564 -10.340 8.884 1.00 1.00 O ATOM 0 H TYR A 11 78.463 -8.895 11.968 1.00 1.00 H new ATOM 0 HA TYR A 11 78.796 -11.505 10.628 1.00 1.00 H new ATOM 0 HB2 TYR A 11 80.179 -10.574 13.189 1.00 1.00 H new ATOM 0 HB3 TYR A 11 80.107 -12.246 12.668 1.00 1.00 H new ATOM 0 HD1 TYR A 11 81.290 -8.848 11.682 1.00 1.00 H new ATOM 0 HD2 TYR A 11 81.538 -13.069 10.926 1.00 1.00 H new ATOM 0 HE1 TYR A 11 83.234 -8.467 10.190 1.00 1.00 H new ATOM 0 HE2 TYR A 11 83.482 -12.688 9.433 1.00 1.00 H new ATOM 0 HH TYR A 11 84.874 -11.198 8.526 1.00 1.00 H new ATOM 164 N GLY A 12 76.572 -11.827 11.757 1.00 1.00 N ATOM 165 CA GLY A 12 75.370 -12.242 12.470 1.00 1.00 C ATOM 166 C GLY A 12 74.480 -11.044 12.784 1.00 1.00 C ATOM 167 O GLY A 12 73.773 -11.031 13.791 1.00 1.00 O ATOM 0 H GLY A 12 76.535 -11.959 10.746 1.00 1.00 H new ATOM 0 HA2 GLY A 12 74.817 -12.963 11.868 1.00 1.00 H new ATOM 0 HA3 GLY A 12 75.648 -12.746 13.396 1.00 1.00 H new ATOM 171 N ALA A 13 74.521 -10.040 11.915 1.00 1.00 N ATOM 172 CA ALA A 13 73.713 -8.841 12.110 1.00 1.00 C ATOM 173 C ALA A 13 73.840 -7.908 10.910 1.00 1.00 C ATOM 174 O ALA A 13 74.490 -6.866 10.988 1.00 1.00 O ATOM 175 CB ALA A 13 74.160 -8.110 13.377 1.00 1.00 C ATOM 0 H ALA A 13 75.100 -10.031 11.075 1.00 1.00 H new ATOM 0 HA ALA A 13 72.670 -9.141 12.213 1.00 1.00 H new ATOM 0 HB1 ALA A 13 73.552 -7.216 13.515 1.00 1.00 H new ATOM 0 HB2 ALA A 13 74.040 -8.767 14.238 1.00 1.00 H new ATOM 0 HB3 ALA A 13 75.208 -7.825 13.282 1.00 1.00 H new ATOM 181 N ASP A 14 73.214 -8.290 9.801 1.00 1.00 N ATOM 182 CA ASP A 14 73.264 -7.478 8.590 1.00 1.00 C ATOM 183 C ASP A 14 72.172 -7.904 7.613 1.00 1.00 C ATOM 184 O ASP A 14 72.458 -8.311 6.487 1.00 1.00 O ATOM 185 CB ASP A 14 74.633 -7.620 7.922 1.00 1.00 C ATOM 186 CG ASP A 14 74.960 -9.096 7.714 1.00 1.00 C ATOM 187 OD1 ASP A 14 74.833 -9.850 8.664 1.00 1.00 O ATOM 188 OD2 ASP A 14 75.332 -9.449 6.607 1.00 1.00 O ATOM 0 H ASP A 14 72.671 -9.149 9.716 1.00 1.00 H new ATOM 0 HA ASP A 14 73.101 -6.436 8.867 1.00 1.00 H new ATOM 0 HB2 ASP A 14 74.635 -7.100 6.964 1.00 1.00 H new ATOM 0 HB3 ASP A 14 75.399 -7.153 8.541 1.00 1.00 H new ATOM 193 N ASN A 15 70.922 -7.807 8.053 1.00 1.00 N ATOM 194 CA ASN A 15 69.795 -8.186 7.208 1.00 1.00 C ATOM 195 C ASN A 15 69.991 -9.592 6.652 1.00 1.00 C ATOM 196 O ASN A 15 70.210 -9.772 5.455 1.00 1.00 O ATOM 197 CB ASN A 15 69.652 -7.193 6.053 1.00 1.00 C ATOM 198 CG ASN A 15 69.563 -5.771 6.596 1.00 1.00 C ATOM 199 OD1 ASN A 15 69.915 -5.523 7.749 1.00 1.00 O ATOM 200 ND2 ASN A 15 69.112 -4.816 5.828 1.00 1.00 N ATOM 0 H ASN A 15 70.665 -7.472 8.982 1.00 1.00 H new ATOM 0 HA ASN A 15 68.889 -8.171 7.814 1.00 1.00 H new ATOM 0 HB2 ASN A 15 70.504 -7.281 5.379 1.00 1.00 H new ATOM 0 HB3 ASN A 15 68.760 -7.425 5.471 1.00 1.00 H new ATOM 0 HD21 ASN A 15 69.051 -3.862 6.183 1.00 1.00 H new ATOM 0 HD22 ASN A 15 68.821 -5.024 4.873 1.00 1.00 H new ATOM 207 N GLN A 16 69.910 -10.587 7.530 1.00 1.00 N ATOM 208 CA GLN A 16 70.080 -11.974 7.114 1.00 1.00 C ATOM 209 C GLN A 16 68.925 -12.412 6.220 1.00 1.00 C ATOM 210 O GLN A 16 68.966 -13.485 5.618 1.00 1.00 O ATOM 211 CB GLN A 16 70.149 -12.883 8.344 1.00 1.00 C ATOM 212 CG GLN A 16 68.882 -12.704 9.183 1.00 1.00 C ATOM 213 CD GLN A 16 69.253 -12.409 10.631 1.00 1.00 C ATOM 214 OE1 GLN A 16 68.857 -13.144 11.537 1.00 1.00 O ATOM 215 NE2 GLN A 16 69.995 -11.371 10.907 1.00 1.00 N ATOM 0 H GLN A 16 69.729 -10.460 8.526 1.00 1.00 H new ATOM 0 HA GLN A 16 71.010 -12.053 6.551 1.00 1.00 H new ATOM 0 HB2 GLN A 16 70.249 -13.924 8.035 1.00 1.00 H new ATOM 0 HB3 GLN A 16 71.029 -12.641 8.939 1.00 1.00 H new ATOM 0 HG2 GLN A 16 68.281 -11.889 8.780 1.00 1.00 H new ATOM 0 HG3 GLN A 16 68.272 -13.606 9.132 1.00 1.00 H new ATOM 0 HE21 GLN A 16 70.322 -10.764 10.156 1.00 1.00 H new ATOM 0 HE22 GLN A 16 70.248 -11.167 11.874 1.00 1.00 H new ATOM 224 N SER A 17 67.897 -11.574 6.138 1.00 1.00 N ATOM 225 CA SER A 17 66.735 -11.885 5.314 1.00 1.00 C ATOM 226 C SER A 17 66.849 -11.209 3.951 1.00 1.00 C ATOM 227 O SER A 17 65.980 -11.370 3.092 1.00 1.00 O ATOM 228 CB SER A 17 65.458 -11.416 6.012 1.00 1.00 C ATOM 229 OG SER A 17 64.370 -11.488 5.100 1.00 1.00 O ATOM 0 H SER A 17 67.844 -10.681 6.628 1.00 1.00 H new ATOM 0 HA SER A 17 66.694 -12.965 5.170 1.00 1.00 H new ATOM 0 HB2 SER A 17 65.258 -12.038 6.885 1.00 1.00 H new ATOM 0 HB3 SER A 17 65.580 -10.394 6.370 1.00 1.00 H new ATOM 0 HG SER A 17 64.697 -11.778 4.223 1.00 1.00 H new ATOM 235 N GLU A 18 67.924 -10.452 3.760 1.00 1.00 N ATOM 236 CA GLU A 18 68.141 -9.757 2.495 1.00 1.00 C ATOM 237 C GLU A 18 68.200 -10.750 1.340 1.00 1.00 C ATOM 238 O GLU A 18 69.255 -11.309 1.042 1.00 1.00 O ATOM 239 CB GLU A 18 69.447 -8.961 2.555 1.00 1.00 C ATOM 240 CG GLU A 18 69.417 -7.850 1.504 1.00 1.00 C ATOM 241 CD GLU A 18 70.804 -7.237 1.355 1.00 1.00 C ATOM 242 OE1 GLU A 18 71.342 -6.788 2.353 1.00 1.00 O ATOM 243 OE2 GLU A 18 71.310 -7.224 0.243 1.00 1.00 O ATOM 0 H GLU A 18 68.653 -10.304 4.458 1.00 1.00 H new ATOM 0 HA GLU A 18 67.307 -9.075 2.329 1.00 1.00 H new ATOM 0 HB2 GLU A 18 69.579 -8.533 3.549 1.00 1.00 H new ATOM 0 HB3 GLU A 18 70.296 -9.621 2.377 1.00 1.00 H new ATOM 0 HG2 GLU A 18 69.083 -8.252 0.547 1.00 1.00 H new ATOM 0 HG3 GLU A 18 68.700 -7.082 1.795 1.00 1.00 H new ATOM 250 N CYS A 19 67.059 -10.964 0.692 1.00 1.00 N ATOM 251 CA CYS A 19 66.992 -11.892 -0.430 1.00 1.00 C ATOM 252 C CYS A 19 66.066 -11.354 -1.517 1.00 1.00 C ATOM 253 O CYS A 19 65.644 -12.092 -2.407 1.00 1.00 O ATOM 254 CB CYS A 19 66.484 -13.254 0.048 1.00 1.00 C ATOM 255 SG CYS A 19 64.692 -13.176 0.293 1.00 1.00 S ATOM 0 H CYS A 19 66.175 -10.511 0.923 1.00 1.00 H new ATOM 0 HA CYS A 19 67.994 -12.003 -0.845 1.00 1.00 H new ATOM 0 HB2 CYS A 19 66.729 -14.023 -0.685 1.00 1.00 H new ATOM 0 HB3 CYS A 19 66.978 -13.532 0.979 1.00 1.00 H new ATOM 0 HG CYS A 19 64.259 -14.333 0.697 1.00 1.00 H new ATOM 261 N GLU A 20 65.755 -10.065 -1.436 1.00 1.00 N ATOM 262 CA GLU A 20 64.878 -9.438 -2.418 1.00 1.00 C ATOM 263 C GLU A 20 65.656 -9.076 -3.678 1.00 1.00 C ATOM 264 O GLU A 20 65.684 -7.916 -4.092 1.00 1.00 O ATOM 265 CB GLU A 20 64.247 -8.176 -1.825 1.00 1.00 C ATOM 266 CG GLU A 20 65.302 -7.403 -1.031 1.00 1.00 C ATOM 267 CD GLU A 20 64.996 -5.910 -1.074 1.00 1.00 C ATOM 268 OE1 GLU A 20 63.831 -5.567 -1.203 1.00 1.00 O ATOM 269 OE2 GLU A 20 65.929 -5.131 -0.978 1.00 1.00 O ATOM 0 H GLU A 20 66.094 -9.438 -0.706 1.00 1.00 H new ATOM 0 HA GLU A 20 64.093 -10.147 -2.681 1.00 1.00 H new ATOM 0 HB2 GLU A 20 63.844 -7.550 -2.621 1.00 1.00 H new ATOM 0 HB3 GLU A 20 63.413 -8.444 -1.177 1.00 1.00 H new ATOM 0 HG2 GLU A 20 65.318 -7.750 0.002 1.00 1.00 H new ATOM 0 HG3 GLU A 20 66.292 -7.592 -1.446 1.00 1.00 H new ATOM 276 N TYR A 21 66.290 -10.074 -4.285 1.00 1.00 N ATOM 277 CA TYR A 21 67.067 -9.849 -5.498 1.00 1.00 C ATOM 278 C TYR A 21 66.906 -11.020 -6.463 1.00 1.00 C ATOM 279 O TYR A 21 66.848 -10.831 -7.678 1.00 1.00 O ATOM 280 CB TYR A 21 68.546 -9.675 -5.146 1.00 1.00 C ATOM 281 CG TYR A 21 68.970 -8.256 -5.439 1.00 1.00 C ATOM 282 CD1 TYR A 21 68.666 -7.234 -4.532 1.00 1.00 C ATOM 283 CD2 TYR A 21 69.666 -7.963 -6.617 1.00 1.00 C ATOM 284 CE1 TYR A 21 69.059 -5.918 -4.804 1.00 1.00 C ATOM 285 CE2 TYR A 21 70.059 -6.646 -6.889 1.00 1.00 C ATOM 286 CZ TYR A 21 69.755 -5.624 -5.982 1.00 1.00 C ATOM 287 OH TYR A 21 70.143 -4.327 -6.250 1.00 1.00 O ATOM 0 H TYR A 21 66.281 -11.041 -3.959 1.00 1.00 H new ATOM 0 HA TYR A 21 66.699 -8.943 -5.980 1.00 1.00 H new ATOM 0 HB2 TYR A 21 68.710 -9.905 -4.093 1.00 1.00 H new ATOM 0 HB3 TYR A 21 69.153 -10.373 -5.723 1.00 1.00 H new ATOM 0 HD1 TYR A 21 68.129 -7.460 -3.623 1.00 1.00 H new ATOM 0 HD2 TYR A 21 69.900 -8.752 -7.316 1.00 1.00 H new ATOM 0 HE1 TYR A 21 68.825 -5.129 -4.104 1.00 1.00 H new ATOM 0 HE2 TYR A 21 70.596 -6.419 -7.798 1.00 1.00 H new ATOM 0 HH TYR A 21 70.617 -4.298 -7.108 1.00 1.00 H new ATOM 297 N THR A 22 66.833 -12.227 -5.913 1.00 1.00 N ATOM 298 CA THR A 22 66.678 -13.422 -6.736 1.00 1.00 C ATOM 299 C THR A 22 65.692 -14.391 -6.093 1.00 1.00 C ATOM 300 O THR A 22 65.585 -15.547 -6.503 1.00 1.00 O ATOM 301 CB THR A 22 68.033 -14.111 -6.915 1.00 1.00 C ATOM 302 OG1 THR A 22 68.517 -14.537 -5.649 1.00 1.00 O ATOM 303 CG2 THR A 22 69.027 -13.133 -7.543 1.00 1.00 C ATOM 0 H THR A 22 66.878 -12.404 -4.909 1.00 1.00 H new ATOM 0 HA THR A 22 66.291 -13.123 -7.710 1.00 1.00 H new ATOM 0 HB THR A 22 67.918 -14.975 -7.569 1.00 1.00 H new ATOM 0 HG1 THR A 22 69.384 -14.980 -5.762 1.00 1.00 H new ATOM 0 HG21 THR A 22 69.991 -13.625 -7.670 1.00 1.00 H new ATOM 0 HG22 THR A 22 68.654 -12.809 -8.515 1.00 1.00 H new ATOM 0 HG23 THR A 22 69.145 -12.266 -6.893 1.00 1.00 H new ATOM 311 N ASP A 23 64.975 -13.913 -5.081 1.00 1.00 N ATOM 312 CA ASP A 23 63.999 -14.747 -4.387 1.00 1.00 C ATOM 313 C ASP A 23 62.727 -13.957 -4.101 1.00 1.00 C ATOM 314 O ASP A 23 61.997 -14.257 -3.155 1.00 1.00 O ATOM 315 CB ASP A 23 64.591 -15.260 -3.073 1.00 1.00 C ATOM 316 CG ASP A 23 64.065 -16.660 -2.776 1.00 1.00 C ATOM 317 OD1 ASP A 23 64.228 -17.524 -3.621 1.00 1.00 O ATOM 318 OD2 ASP A 23 63.507 -16.847 -1.708 1.00 1.00 O ATOM 0 H ASP A 23 65.050 -12.960 -4.725 1.00 1.00 H new ATOM 0 HA ASP A 23 63.751 -15.593 -5.028 1.00 1.00 H new ATOM 0 HB2 ASP A 23 65.679 -15.277 -3.137 1.00 1.00 H new ATOM 0 HB3 ASP A 23 64.330 -14.584 -2.259 1.00 1.00 H new ATOM 323 N TRP A 24 62.465 -12.946 -4.924 1.00 1.00 N ATOM 324 CA TRP A 24 61.276 -12.118 -4.748 1.00 1.00 C ATOM 325 C TRP A 24 60.180 -12.544 -5.719 1.00 1.00 C ATOM 326 O TRP A 24 59.026 -12.138 -5.584 1.00 1.00 O ATOM 327 CB TRP A 24 61.625 -10.647 -4.982 1.00 1.00 C ATOM 328 CG TRP A 24 62.003 -10.446 -6.415 1.00 1.00 C ATOM 329 CD1 TRP A 24 63.246 -10.611 -6.921 1.00 1.00 C ATOM 330 CD2 TRP A 24 61.155 -10.047 -7.531 1.00 1.00 C ATOM 331 NE1 TRP A 24 63.216 -10.338 -8.277 1.00 1.00 N ATOM 332 CE2 TRP A 24 61.950 -9.986 -8.701 1.00 1.00 C ATOM 333 CE3 TRP A 24 59.788 -9.735 -7.641 1.00 1.00 C ATOM 334 CZ2 TRP A 24 61.408 -9.628 -9.935 1.00 1.00 C ATOM 335 CZ3 TRP A 24 59.239 -9.374 -8.883 1.00 1.00 C ATOM 336 CH2 TRP A 24 60.047 -9.321 -10.027 1.00 1.00 C ATOM 0 H TRP A 24 63.054 -12.682 -5.713 1.00 1.00 H new ATOM 0 HA TRP A 24 60.913 -12.247 -3.728 1.00 1.00 H new ATOM 0 HB2 TRP A 24 60.774 -10.015 -4.727 1.00 1.00 H new ATOM 0 HB3 TRP A 24 62.448 -10.350 -4.332 1.00 1.00 H new ATOM 0 HD1 TRP A 24 64.119 -10.907 -6.359 1.00 1.00 H new ATOM 0 HE1 TRP A 24 64.030 -10.390 -8.889 1.00 1.00 H new ATOM 0 HE3 TRP A 24 59.157 -9.773 -6.766 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 62.035 -9.588 -10.813 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 58.188 -9.136 -8.957 1.00 1.00 H new ATOM 0 HH2 TRP A 24 59.619 -9.043 -10.979 1.00 1.00 H new ATOM 347 N LYS A 25 60.548 -13.364 -6.699 1.00 1.00 N ATOM 348 CA LYS A 25 59.587 -13.838 -7.687 1.00 1.00 C ATOM 349 C LYS A 25 59.135 -15.258 -7.357 1.00 1.00 C ATOM 350 O LYS A 25 58.486 -15.917 -8.169 1.00 1.00 O ATOM 351 CB LYS A 25 60.210 -13.811 -9.086 1.00 1.00 C ATOM 352 CG LYS A 25 61.702 -14.147 -8.998 1.00 1.00 C ATOM 353 CD LYS A 25 61.885 -15.502 -8.310 1.00 1.00 C ATOM 354 CE LYS A 25 63.297 -16.025 -8.581 1.00 1.00 C ATOM 355 NZ LYS A 25 63.591 -17.160 -7.661 1.00 1.00 N ATOM 0 H LYS A 25 61.498 -13.712 -6.829 1.00 1.00 H new ATOM 0 HA LYS A 25 58.721 -13.177 -7.665 1.00 1.00 H new ATOM 0 HB2 LYS A 25 59.704 -14.528 -9.733 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.076 -12.827 -9.535 1.00 1.00 H new ATOM 0 HG2 LYS A 25 62.138 -14.173 -9.996 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.227 -13.371 -8.441 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.722 -15.402 -7.237 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.145 -16.212 -8.679 1.00 1.00 H new ATOM 0 HE2 LYS A 25 63.383 -16.351 -9.617 1.00 1.00 H new ATOM 0 HE3 LYS A 25 64.026 -15.227 -8.436 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.362 -16.893 -7.016 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 62.740 -17.388 -7.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 63.876 -17.992 -8.216 1.00 1.00 H new ATOM 369 N SER A 26 59.481 -15.720 -6.161 1.00 1.00 N ATOM 370 CA SER A 26 59.104 -17.063 -5.734 1.00 1.00 C ATOM 371 C SER A 26 58.745 -17.073 -4.251 1.00 1.00 C ATOM 372 O SER A 26 57.578 -16.938 -3.887 1.00 1.00 O ATOM 373 CB SER A 26 60.258 -18.034 -5.986 1.00 1.00 C ATOM 374 OG SER A 26 59.937 -19.300 -5.424 1.00 1.00 O ATOM 0 H SER A 26 60.018 -15.190 -5.474 1.00 1.00 H new ATOM 0 HA SER A 26 58.233 -17.375 -6.310 1.00 1.00 H new ATOM 0 HB2 SER A 26 60.438 -18.133 -7.056 1.00 1.00 H new ATOM 0 HB3 SER A 26 61.176 -17.649 -5.543 1.00 1.00 H new ATOM 0 HG SER A 26 60.674 -19.926 -5.585 1.00 1.00 H new ATOM 380 N SER A 27 59.754 -17.234 -3.403 1.00 1.00 N ATOM 381 CA SER A 27 59.529 -17.261 -1.962 1.00 1.00 C ATOM 382 C SER A 27 59.274 -15.854 -1.431 1.00 1.00 C ATOM 383 O SER A 27 59.397 -15.601 -0.232 1.00 1.00 O ATOM 384 CB SER A 27 60.744 -17.862 -1.256 1.00 1.00 C ATOM 385 OG SER A 27 60.336 -18.998 -0.503 1.00 1.00 O ATOM 0 H SER A 27 60.728 -17.347 -3.684 1.00 1.00 H new ATOM 0 HA SER A 27 58.651 -17.876 -1.762 1.00 1.00 H new ATOM 0 HB2 SER A 27 61.499 -18.149 -1.988 1.00 1.00 H new ATOM 0 HB3 SER A 27 61.201 -17.121 -0.600 1.00 1.00 H new ATOM 0 HG SER A 27 61.113 -19.387 -0.050 1.00 1.00 H new ATOM 391 N GLY A 28 58.920 -14.942 -2.331 1.00 1.00 N ATOM 392 CA GLY A 28 58.652 -13.562 -1.941 1.00 1.00 C ATOM 393 C GLY A 28 57.644 -12.916 -2.885 1.00 1.00 C ATOM 394 O GLY A 28 57.799 -11.759 -3.276 1.00 1.00 O ATOM 0 H GLY A 28 58.813 -15.131 -3.328 1.00 1.00 H new ATOM 0 HA2 GLY A 28 58.269 -13.536 -0.921 1.00 1.00 H new ATOM 0 HA3 GLY A 28 59.580 -12.991 -1.948 1.00 1.00 H new ATOM 398 N ALA A 29 56.613 -13.671 -3.247 1.00 1.00 N ATOM 399 CA ALA A 29 55.585 -13.161 -4.147 1.00 1.00 C ATOM 400 C ALA A 29 54.199 -13.585 -3.673 1.00 1.00 C ATOM 401 O ALA A 29 53.187 -13.079 -4.156 1.00 1.00 O ATOM 402 CB ALA A 29 55.825 -13.683 -5.564 1.00 1.00 C ATOM 0 H ALA A 29 56.467 -14.631 -2.934 1.00 1.00 H new ATOM 0 HA ALA A 29 55.638 -12.072 -4.148 1.00 1.00 H new ATOM 0 HB1 ALA A 29 55.053 -13.297 -6.230 1.00 1.00 H new ATOM 0 HB2 ALA A 29 56.803 -13.352 -5.913 1.00 1.00 H new ATOM 0 HB3 ALA A 29 55.790 -14.772 -5.561 1.00 1.00 H new ATOM 408 N LEU A 30 54.166 -14.519 -2.725 1.00 1.00 N ATOM 409 CA LEU A 30 52.902 -15.012 -2.186 1.00 1.00 C ATOM 410 C LEU A 30 52.747 -14.601 -0.725 1.00 1.00 C ATOM 411 O LEU A 30 51.635 -14.384 -0.245 1.00 1.00 O ATOM 412 CB LEU A 30 52.846 -16.536 -2.299 1.00 1.00 C ATOM 413 CG LEU A 30 53.303 -16.962 -3.694 1.00 1.00 C ATOM 414 CD1 LEU A 30 54.744 -17.468 -3.624 1.00 1.00 C ATOM 415 CD2 LEU A 30 52.396 -18.082 -4.209 1.00 1.00 C ATOM 0 H LEU A 30 54.996 -14.948 -2.316 1.00 1.00 H new ATOM 0 HA LEU A 30 52.087 -14.575 -2.763 1.00 1.00 H new ATOM 0 HB2 LEU A 30 53.484 -16.991 -1.541 1.00 1.00 H new ATOM 0 HB3 LEU A 30 51.831 -16.888 -2.114 1.00 1.00 H new ATOM 0 HG LEU A 30 53.248 -16.109 -4.371 1.00 1.00 H new ATOM 0 HD11 LEU A 30 55.071 -17.772 -4.618 1.00 1.00 H new ATOM 0 HD12 LEU A 30 55.392 -16.672 -3.256 1.00 1.00 H new ATOM 0 HD13 LEU A 30 54.798 -18.321 -2.947 1.00 1.00 H new ATOM 0 HD21 LEU A 30 52.722 -18.386 -5.204 1.00 1.00 H new ATOM 0 HD22 LEU A 30 52.451 -18.935 -3.533 1.00 1.00 H new ATOM 0 HD23 LEU A 30 51.368 -17.724 -4.258 1.00 1.00 H new ATOM 427 N ILE A 31 53.872 -14.495 -0.023 1.00 1.00 N ATOM 428 CA ILE A 31 53.850 -14.108 1.382 1.00 1.00 C ATOM 429 C ILE A 31 53.671 -12.592 1.542 1.00 1.00 C ATOM 430 O ILE A 31 53.001 -12.147 2.474 1.00 1.00 O ATOM 431 CB ILE A 31 55.142 -14.580 2.073 1.00 1.00 C ATOM 432 CG1 ILE A 31 54.894 -15.949 2.710 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.566 -13.590 3.166 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.396 -16.927 1.643 1.00 1.00 C ATOM 0 H ILE A 31 54.803 -14.670 -0.401 1.00 1.00 H new ATOM 0 HA ILE A 31 52.996 -14.589 1.858 1.00 1.00 H new ATOM 0 HB ILE A 31 55.936 -14.643 1.329 1.00 1.00 H new ATOM 0 HG12 ILE A 31 55.813 -16.324 3.161 1.00 1.00 H new ATOM 0 HG13 ILE A 31 54.159 -15.862 3.510 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.481 -13.943 3.641 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.743 -12.611 2.721 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.776 -13.512 3.913 1.00 1.00 H new ATOM 0 HD11 ILE A 31 54.219 -17.902 2.097 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.467 -16.554 1.212 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.147 -17.023 0.858 1.00 1.00 H new ATOM 446 N PRO A 32 54.246 -11.792 0.673 1.00 1.00 N ATOM 447 CA PRO A 32 54.128 -10.314 0.756 1.00 1.00 C ATOM 448 C PRO A 32 52.886 -9.794 0.036 1.00 1.00 C ATOM 449 O PRO A 32 52.850 -8.646 -0.409 1.00 1.00 O ATOM 450 CB PRO A 32 55.403 -9.827 0.073 1.00 1.00 C ATOM 451 CG PRO A 32 55.767 -10.892 -0.915 1.00 1.00 C ATOM 452 CD PRO A 32 55.070 -12.190 -0.481 1.00 1.00 C ATOM 0 HA PRO A 32 54.021 -9.961 1.782 1.00 1.00 H new ATOM 0 HB2 PRO A 32 55.240 -8.871 -0.425 1.00 1.00 H new ATOM 0 HB3 PRO A 32 56.203 -9.676 0.798 1.00 1.00 H new ATOM 0 HG2 PRO A 32 55.452 -10.606 -1.919 1.00 1.00 H new ATOM 0 HG3 PRO A 32 56.848 -11.031 -0.947 1.00 1.00 H new ATOM 0 HD2 PRO A 32 54.458 -12.601 -1.284 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.794 -12.958 -0.207 1.00 1.00 H new ATOM 460 N ALA A 33 51.872 -10.646 -0.071 1.00 1.00 N ATOM 461 CA ALA A 33 50.631 -10.265 -0.737 1.00 1.00 C ATOM 462 C ALA A 33 49.423 -10.711 0.083 1.00 1.00 C ATOM 463 O ALA A 33 48.290 -10.676 -0.396 1.00 1.00 O ATOM 464 CB ALA A 33 50.569 -10.901 -2.127 1.00 1.00 C ATOM 0 H ALA A 33 51.884 -11.599 0.292 1.00 1.00 H new ATOM 0 HA ALA A 33 50.610 -9.179 -0.832 1.00 1.00 H new ATOM 0 HB1 ALA A 33 49.640 -10.612 -2.618 1.00 1.00 H new ATOM 0 HB2 ALA A 33 51.416 -10.558 -2.722 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.607 -11.986 -2.033 1.00 1.00 H new ATOM 470 N ILE A 34 49.675 -11.128 1.318 1.00 1.00 N ATOM 471 CA ILE A 34 48.601 -11.578 2.197 1.00 1.00 C ATOM 472 C ILE A 34 48.833 -11.083 3.620 1.00 1.00 C ATOM 473 O ILE A 34 47.897 -10.672 4.305 1.00 1.00 O ATOM 474 CB ILE A 34 48.528 -13.106 2.192 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.638 -13.666 1.300 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.165 -13.552 1.655 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.601 -15.196 1.334 1.00 1.00 C ATOM 0 H ILE A 34 50.607 -11.164 1.732 1.00 1.00 H new ATOM 0 HA ILE A 34 47.660 -11.169 1.830 1.00 1.00 H new ATOM 0 HB ILE A 34 48.656 -13.479 3.208 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.510 -13.312 0.277 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.609 -13.308 1.642 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.114 -14.641 1.652 1.00 1.00 H new ATOM 0 HG22 ILE A 34 46.375 -13.153 2.292 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.035 -13.180 0.639 1.00 1.00 H new ATOM 0 HD11 ILE A 34 50.392 -15.593 0.698 1.00 1.00 H new ATOM 0 HD12 ILE A 34 49.750 -15.541 2.357 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.634 -15.545 0.971 1.00 1.00 H new ATOM 489 N TYR A 35 50.087 -11.128 4.058 1.00 1.00 N ATOM 490 CA TYR A 35 50.434 -10.684 5.403 1.00 1.00 C ATOM 491 C TYR A 35 50.373 -9.163 5.498 1.00 1.00 C ATOM 492 O TYR A 35 50.810 -8.577 6.489 1.00 1.00 O ATOM 493 CB TYR A 35 51.842 -11.161 5.761 1.00 1.00 C ATOM 494 CG TYR A 35 51.764 -12.519 6.416 1.00 1.00 C ATOM 495 CD1 TYR A 35 51.717 -13.676 5.628 1.00 1.00 C ATOM 496 CD2 TYR A 35 51.740 -12.622 7.813 1.00 1.00 C ATOM 497 CE1 TYR A 35 51.645 -14.934 6.236 1.00 1.00 C ATOM 498 CE2 TYR A 35 51.668 -13.882 8.420 1.00 1.00 C ATOM 499 CZ TYR A 35 51.621 -15.037 7.632 1.00 1.00 C ATOM 500 OH TYR A 35 51.551 -16.279 8.231 1.00 1.00 O ATOM 0 H TYR A 35 50.875 -11.465 3.505 1.00 1.00 H new ATOM 0 HA TYR A 35 49.715 -11.110 6.103 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.458 -11.214 4.864 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.319 -10.448 6.434 1.00 1.00 H new ATOM 0 HD1 TYR A 35 51.736 -13.597 4.551 1.00 1.00 H new ATOM 0 HD2 TYR A 35 51.777 -11.730 8.421 1.00 1.00 H new ATOM 0 HE1 TYR A 35 51.608 -15.826 5.628 1.00 1.00 H new ATOM 0 HE2 TYR A 35 51.649 -13.962 9.497 1.00 1.00 H new ATOM 0 HH TYR A 35 51.544 -16.172 9.205 1.00 1.00 H new ATOM 510 N MET A 36 49.829 -8.530 4.464 1.00 1.00 N ATOM 511 CA MET A 36 49.717 -7.075 4.442 1.00 1.00 C ATOM 512 C MET A 36 48.287 -6.640 4.748 1.00 1.00 C ATOM 513 O MET A 36 48.029 -5.992 5.762 1.00 1.00 O ATOM 514 CB MET A 36 50.134 -6.541 3.071 1.00 1.00 C ATOM 515 CG MET A 36 51.637 -6.743 2.878 1.00 1.00 C ATOM 516 SD MET A 36 52.528 -5.311 3.534 1.00 1.00 S ATOM 517 CE MET A 36 54.109 -6.141 3.826 1.00 1.00 C ATOM 0 H MET A 36 49.461 -8.997 3.635 1.00 1.00 H new ATOM 0 HA MET A 36 50.378 -6.667 5.207 1.00 1.00 H new ATOM 0 HB2 MET A 36 49.583 -7.058 2.285 1.00 1.00 H new ATOM 0 HB3 MET A 36 49.886 -5.483 2.991 1.00 1.00 H new ATOM 0 HG2 MET A 36 51.961 -7.651 3.387 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.864 -6.873 1.820 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.823 -5.429 4.239 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.965 -6.960 4.530 1.00 1.00 H new ATOM 0 HE3 MET A 36 54.493 -6.535 2.885 1.00 1.00 H new ATOM 527 N LEU A 37 47.362 -6.999 3.863 1.00 1.00 N ATOM 528 CA LEU A 37 45.961 -6.639 4.048 1.00 1.00 C ATOM 529 C LEU A 37 45.490 -7.015 5.449 1.00 1.00 C ATOM 530 O LEU A 37 44.466 -6.522 5.922 1.00 1.00 O ATOM 531 CB LEU A 37 45.097 -7.353 3.007 1.00 1.00 C ATOM 532 CG LEU A 37 45.471 -6.861 1.609 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.509 -8.045 0.642 1.00 1.00 C ATOM 534 CD2 LEU A 37 44.430 -5.847 1.131 1.00 1.00 C ATOM 0 H LEU A 37 47.555 -7.535 3.017 1.00 1.00 H new ATOM 0 HA LEU A 37 45.863 -5.561 3.923 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.243 -8.431 3.076 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.042 -7.161 3.201 1.00 1.00 H new ATOM 0 HG LEU A 37 46.453 -6.388 1.642 1.00 1.00 H new ATOM 0 HD11 LEU A 37 45.776 -7.693 -0.354 1.00 1.00 H new ATOM 0 HD12 LEU A 37 46.250 -8.768 0.982 1.00 1.00 H new ATOM 0 HD13 LEU A 37 44.528 -8.519 0.609 1.00 1.00 H new ATOM 0 HD21 LEU A 37 44.696 -5.495 0.134 1.00 1.00 H new ATOM 0 HD22 LEU A 37 43.449 -6.320 1.099 1.00 1.00 H new ATOM 0 HD23 LEU A 37 44.403 -5.002 1.819 1.00 1.00 H new ATOM 546 N VAL A 38 46.242 -7.891 6.108 1.00 1.00 N ATOM 547 CA VAL A 38 45.890 -8.324 7.454 1.00 1.00 C ATOM 548 C VAL A 38 46.532 -7.411 8.495 1.00 1.00 C ATOM 549 O VAL A 38 45.841 -6.818 9.323 1.00 1.00 O ATOM 550 CB VAL A 38 46.357 -9.763 7.678 1.00 1.00 C ATOM 551 CG1 VAL A 38 45.931 -10.229 9.072 1.00 1.00 C ATOM 552 CG2 VAL A 38 45.725 -10.674 6.622 1.00 1.00 C ATOM 0 H VAL A 38 47.093 -8.312 5.735 1.00 1.00 H new ATOM 0 HA VAL A 38 44.806 -8.273 7.561 1.00 1.00 H new ATOM 0 HB VAL A 38 47.443 -9.808 7.596 1.00 1.00 H new ATOM 0 HG11 VAL A 38 46.264 -11.255 9.230 1.00 1.00 H new ATOM 0 HG12 VAL A 38 46.380 -9.581 9.825 1.00 1.00 H new ATOM 0 HG13 VAL A 38 44.845 -10.184 9.155 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.057 -11.700 6.781 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.639 -10.627 6.704 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.028 -10.344 5.628 1.00 1.00 H new ATOM 562 N PHE A 39 47.855 -7.304 8.445 1.00 1.00 N ATOM 563 CA PHE A 39 48.579 -6.458 9.388 1.00 1.00 C ATOM 564 C PHE A 39 47.914 -5.090 9.499 1.00 1.00 C ATOM 565 O PHE A 39 48.179 -4.336 10.435 1.00 1.00 O ATOM 566 CB PHE A 39 50.029 -6.288 8.930 1.00 1.00 C ATOM 567 CG PHE A 39 50.958 -6.542 10.094 1.00 1.00 C ATOM 568 CD1 PHE A 39 51.228 -5.518 11.010 1.00 1.00 C ATOM 569 CD2 PHE A 39 51.549 -7.800 10.256 1.00 1.00 C ATOM 570 CE1 PHE A 39 52.089 -5.753 12.088 1.00 1.00 C ATOM 571 CE2 PHE A 39 52.410 -8.035 11.335 1.00 1.00 C ATOM 572 CZ PHE A 39 52.680 -7.012 12.251 1.00 1.00 C ATOM 0 H PHE A 39 48.445 -7.788 7.768 1.00 1.00 H new ATOM 0 HA PHE A 39 48.562 -6.938 10.366 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.249 -6.981 8.118 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.183 -5.282 8.541 1.00 1.00 H new ATOM 0 HD1 PHE A 39 50.772 -4.547 10.885 1.00 1.00 H new ATOM 0 HD2 PHE A 39 51.341 -8.590 9.549 1.00 1.00 H new ATOM 0 HE1 PHE A 39 52.298 -4.963 12.794 1.00 1.00 H new ATOM 0 HE2 PHE A 39 52.866 -9.006 11.460 1.00 1.00 H new ATOM 0 HZ PHE A 39 53.344 -7.193 13.083 1.00 1.00 H new ATOM 582 N LEU A 40 47.047 -4.783 8.536 1.00 1.00 N ATOM 583 CA LEU A 40 46.341 -3.505 8.526 1.00 1.00 C ATOM 584 C LEU A 40 44.835 -3.729 8.611 1.00 1.00 C ATOM 585 O LEU A 40 44.058 -3.068 7.922 1.00 1.00 O ATOM 586 CB LEU A 40 46.673 -2.735 7.246 1.00 1.00 C ATOM 587 CG LEU A 40 48.193 -2.628 7.093 1.00 1.00 C ATOM 588 CD1 LEU A 40 48.524 -1.888 5.798 1.00 1.00 C ATOM 589 CD2 LEU A 40 48.777 -1.860 8.282 1.00 1.00 C ATOM 0 H LEU A 40 46.818 -5.399 7.756 1.00 1.00 H new ATOM 0 HA LEU A 40 46.662 -2.925 9.391 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.245 -3.243 6.382 1.00 1.00 H new ATOM 0 HB3 LEU A 40 46.230 -1.740 7.282 1.00 1.00 H new ATOM 0 HG LEU A 40 48.624 -3.629 7.062 1.00 1.00 H new ATOM 0 HD11 LEU A 40 49.606 -1.812 5.689 1.00 1.00 H new ATOM 0 HD12 LEU A 40 48.112 -2.435 4.950 1.00 1.00 H new ATOM 0 HD13 LEU A 40 48.091 -0.888 5.829 1.00 1.00 H new ATOM 0 HD21 LEU A 40 49.859 -1.785 8.171 1.00 1.00 H new ATOM 0 HD22 LEU A 40 48.346 -0.860 8.316 1.00 1.00 H new ATOM 0 HD23 LEU A 40 48.543 -2.388 9.206 1.00 1.00 H new ATOM 601 N LEU A 41 44.431 -4.668 9.462 1.00 1.00 N ATOM 602 CA LEU A 41 43.016 -4.976 9.636 1.00 1.00 C ATOM 603 C LEU A 41 42.710 -5.257 11.104 1.00 1.00 C ATOM 604 O LEU A 41 41.720 -4.767 11.646 1.00 1.00 O ATOM 605 CB LEU A 41 42.641 -6.197 8.790 1.00 1.00 C ATOM 606 CG LEU A 41 41.390 -5.901 7.954 1.00 1.00 C ATOM 607 CD1 LEU A 41 40.247 -5.462 8.873 1.00 1.00 C ATOM 608 CD2 LEU A 41 41.682 -4.789 6.938 1.00 1.00 C ATOM 0 H LEU A 41 45.060 -5.226 10.039 1.00 1.00 H new ATOM 0 HA LEU A 41 42.430 -4.116 9.311 1.00 1.00 H new ATOM 0 HB2 LEU A 41 43.470 -6.462 8.134 1.00 1.00 H new ATOM 0 HB3 LEU A 41 42.459 -7.055 9.438 1.00 1.00 H new ATOM 0 HG LEU A 41 41.103 -6.806 7.419 1.00 1.00 H new ATOM 0 HD11 LEU A 41 39.360 -5.252 8.276 1.00 1.00 H new ATOM 0 HD12 LEU A 41 40.026 -6.258 9.584 1.00 1.00 H new ATOM 0 HD13 LEU A 41 40.540 -4.563 9.414 1.00 1.00 H new ATOM 0 HD21 LEU A 41 40.786 -4.588 6.351 1.00 1.00 H new ATOM 0 HD22 LEU A 41 41.980 -3.883 7.466 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.487 -5.104 6.275 1.00 1.00 H new ATOM 620 N GLY A 42 43.567 -6.047 11.741 1.00 1.00 N ATOM 621 CA GLY A 42 43.379 -6.385 13.148 1.00 1.00 C ATOM 622 C GLY A 42 43.933 -5.287 14.049 1.00 1.00 C ATOM 623 O GLY A 42 43.708 -5.290 15.260 1.00 1.00 O ATOM 0 H GLY A 42 44.393 -6.463 11.310 1.00 1.00 H new ATOM 0 HA2 GLY A 42 42.318 -6.529 13.353 1.00 1.00 H new ATOM 0 HA3 GLY A 42 43.877 -7.329 13.369 1.00 1.00 H new ATOM 627 N THR A 43 44.659 -4.349 13.448 1.00 1.00 N ATOM 628 CA THR A 43 45.245 -3.244 14.200 1.00 1.00 C ATOM 629 C THR A 43 44.999 -1.922 13.480 1.00 1.00 C ATOM 630 O THR A 43 44.497 -0.965 14.070 1.00 1.00 O ATOM 631 CB THR A 43 46.750 -3.465 14.365 1.00 1.00 C ATOM 632 OG1 THR A 43 47.417 -2.212 14.341 1.00 1.00 O ATOM 633 CG2 THR A 43 47.267 -4.344 13.224 1.00 1.00 C ATOM 0 H THR A 43 44.855 -4.331 12.447 1.00 1.00 H new ATOM 0 HA THR A 43 44.775 -3.205 15.183 1.00 1.00 H new ATOM 0 HB THR A 43 46.942 -3.960 15.317 1.00 1.00 H new ATOM 0 HG1 THR A 43 48.078 -2.207 13.618 1.00 1.00 H new ATOM 0 HG21 THR A 43 48.339 -4.501 13.343 1.00 1.00 H new ATOM 0 HG22 THR A 43 46.755 -5.306 13.245 1.00 1.00 H new ATOM 0 HG23 THR A 43 47.076 -3.852 12.270 1.00 1.00 H new ATOM 641 N THR A 44 45.355 -1.880 12.200 1.00 1.00 N ATOM 642 CA THR A 44 45.169 -0.677 11.397 1.00 1.00 C ATOM 643 C THR A 44 45.513 0.572 12.204 1.00 1.00 C ATOM 644 O THR A 44 45.056 1.670 11.889 1.00 1.00 O ATOM 645 CB THR A 44 43.720 -0.586 10.904 1.00 1.00 C ATOM 646 OG1 THR A 44 43.025 0.396 11.660 1.00 1.00 O ATOM 647 CG2 THR A 44 43.028 -1.941 11.066 1.00 1.00 C ATOM 0 H THR A 44 45.773 -2.663 11.698 1.00 1.00 H new ATOM 0 HA THR A 44 45.839 -0.737 10.539 1.00 1.00 H new ATOM 0 HB THR A 44 43.716 -0.307 9.850 1.00 1.00 H new ATOM 0 HG1 THR A 44 43.402 1.281 11.471 1.00 1.00 H new ATOM 0 HG21 THR A 44 41.999 -1.868 10.714 1.00 1.00 H new ATOM 0 HG22 THR A 44 43.559 -2.693 10.482 1.00 1.00 H new ATOM 0 HG23 THR A 44 43.032 -2.228 12.117 1.00 1.00 H new ATOM 655 N GLY A 45 46.322 0.397 13.244 1.00 1.00 N ATOM 656 CA GLY A 45 46.722 1.520 14.086 1.00 1.00 C ATOM 657 C GLY A 45 45.876 1.580 15.353 1.00 1.00 C ATOM 658 O GLY A 45 45.624 2.657 15.892 1.00 1.00 O ATOM 0 H GLY A 45 46.711 -0.504 13.523 1.00 1.00 H new ATOM 0 HA2 GLY A 45 47.775 1.424 14.351 1.00 1.00 H new ATOM 0 HA3 GLY A 45 46.618 2.452 13.530 1.00 1.00 H new ATOM 662 N ASN A 46 45.443 0.415 15.825 1.00 1.00 N ATOM 663 CA ASN A 46 44.627 0.345 17.031 1.00 1.00 C ATOM 664 C ASN A 46 45.101 -0.792 17.932 1.00 1.00 C ATOM 665 O ASN A 46 45.056 -0.685 19.158 1.00 1.00 O ATOM 666 CB ASN A 46 43.160 0.125 16.658 1.00 1.00 C ATOM 667 CG ASN A 46 42.700 1.215 15.695 1.00 1.00 C ATOM 668 OD1 ASN A 46 42.398 2.331 16.117 1.00 1.00 O ATOM 669 ND2 ASN A 46 42.628 0.956 14.419 1.00 1.00 N ATOM 0 H ASN A 46 45.642 -0.488 15.394 1.00 1.00 H new ATOM 0 HA ASN A 46 44.726 1.287 17.570 1.00 1.00 H new ATOM 0 HB2 ASN A 46 43.036 -0.855 16.198 1.00 1.00 H new ATOM 0 HB3 ASN A 46 42.542 0.136 17.556 1.00 1.00 H new ATOM 0 HD21 ASN A 46 42.321 1.679 13.768 1.00 1.00 H new ATOM 0 HD22 ASN A 46 42.879 0.030 14.072 1.00 1.00 H new ATOM 676 N GLY A 47 45.555 -1.878 17.317 1.00 1.00 N ATOM 677 CA GLY A 47 46.035 -3.028 18.074 1.00 1.00 C ATOM 678 C GLY A 47 47.474 -2.816 18.532 1.00 1.00 C ATOM 679 O GLY A 47 48.046 -3.660 19.222 1.00 1.00 O ATOM 0 H GLY A 47 45.601 -1.986 16.304 1.00 1.00 H new ATOM 0 HA2 GLY A 47 45.394 -3.192 18.940 1.00 1.00 H new ATOM 0 HA3 GLY A 47 45.974 -3.925 17.458 1.00 1.00 H new ATOM 683 N LEU A 48 48.052 -1.684 18.144 1.00 1.00 N ATOM 684 CA LEU A 48 49.425 -1.371 18.521 1.00 1.00 C ATOM 685 C LEU A 48 49.452 -0.502 19.774 1.00 1.00 C ATOM 686 O LEU A 48 50.423 -0.513 20.529 1.00 1.00 O ATOM 687 CB LEU A 48 50.130 -0.636 17.377 1.00 1.00 C ATOM 688 CG LEU A 48 49.606 -1.149 16.035 1.00 1.00 C ATOM 689 CD1 LEU A 48 50.403 -0.507 14.897 1.00 1.00 C ATOM 690 CD2 LEU A 48 49.768 -2.670 15.973 1.00 1.00 C ATOM 0 H LEU A 48 47.595 -0.973 17.573 1.00 1.00 H new ATOM 0 HA LEU A 48 49.945 -2.307 18.727 1.00 1.00 H new ATOM 0 HB2 LEU A 48 49.957 0.437 17.460 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.207 -0.791 17.441 1.00 1.00 H new ATOM 0 HG LEU A 48 48.552 -0.890 15.933 1.00 1.00 H new ATOM 0 HD11 LEU A 48 50.030 -0.872 13.940 1.00 1.00 H new ATOM 0 HD12 LEU A 48 50.291 0.576 14.940 1.00 1.00 H new ATOM 0 HD13 LEU A 48 51.457 -0.767 14.999 1.00 1.00 H new ATOM 0 HD21 LEU A 48 49.395 -3.037 15.017 1.00 1.00 H new ATOM 0 HD22 LEU A 48 50.822 -2.928 16.074 1.00 1.00 H new ATOM 0 HD23 LEU A 48 49.202 -3.129 16.784 1.00 1.00 H new ATOM 702 N VAL A 49 48.377 0.252 19.985 1.00 1.00 N ATOM 703 CA VAL A 49 48.286 1.128 21.147 1.00 1.00 C ATOM 704 C VAL A 49 48.022 0.318 22.413 1.00 1.00 C ATOM 705 O VAL A 49 48.800 0.365 23.366 1.00 1.00 O ATOM 706 CB VAL A 49 47.163 2.143 20.946 1.00 1.00 C ATOM 707 CG1 VAL A 49 47.309 3.277 21.961 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.243 2.715 19.528 1.00 1.00 C ATOM 0 H VAL A 49 47.563 0.274 19.371 1.00 1.00 H new ATOM 0 HA VAL A 49 49.235 1.652 21.258 1.00 1.00 H new ATOM 0 HB VAL A 49 46.200 1.652 21.088 1.00 1.00 H new ATOM 0 HG11 VAL A 49 46.507 4.001 21.816 1.00 1.00 H new ATOM 0 HG12 VAL A 49 47.253 2.871 22.971 1.00 1.00 H new ATOM 0 HG13 VAL A 49 48.271 3.769 21.821 1.00 1.00 H new ATOM 0 HG21 VAL A 49 46.442 3.440 19.382 1.00 1.00 H new ATOM 0 HG22 VAL A 49 48.206 3.205 19.387 1.00 1.00 H new ATOM 0 HG23 VAL A 49 47.138 1.908 18.803 1.00 1.00 H new ATOM 718 N LEU A 50 46.919 -0.424 22.416 1.00 1.00 N ATOM 719 CA LEU A 50 46.562 -1.238 23.572 1.00 1.00 C ATOM 720 C LEU A 50 47.526 -2.409 23.723 1.00 1.00 C ATOM 721 O LEU A 50 47.305 -3.307 24.536 1.00 1.00 O ATOM 722 CB LEU A 50 45.134 -1.764 23.421 1.00 1.00 C ATOM 723 CG LEU A 50 45.023 -2.589 22.137 1.00 1.00 C ATOM 724 CD1 LEU A 50 44.941 -4.076 22.490 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.761 -2.176 21.376 1.00 1.00 C ATOM 0 H LEU A 50 46.262 -0.478 21.638 1.00 1.00 H new ATOM 0 HA LEU A 50 46.626 -0.615 24.464 1.00 1.00 H new ATOM 0 HB2 LEU A 50 44.868 -2.376 24.283 1.00 1.00 H new ATOM 0 HB3 LEU A 50 44.430 -0.932 23.392 1.00 1.00 H new ATOM 0 HG LEU A 50 45.900 -2.412 21.514 1.00 1.00 H new ATOM 0 HD11 LEU A 50 44.862 -4.663 21.575 1.00 1.00 H new ATOM 0 HD12 LEU A 50 45.838 -4.371 23.034 1.00 1.00 H new ATOM 0 HD13 LEU A 50 44.064 -4.254 23.113 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.680 -2.762 20.461 1.00 1.00 H new ATOM 0 HD22 LEU A 50 42.885 -2.354 22.000 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.818 -1.117 21.124 1.00 1.00 H new ATOM 737 N TRP A 51 48.599 -2.393 22.938 1.00 1.00 N ATOM 738 CA TRP A 51 49.591 -3.460 22.996 1.00 1.00 C ATOM 739 C TRP A 51 50.617 -3.174 24.088 1.00 1.00 C ATOM 740 O TRP A 51 51.449 -4.023 24.408 1.00 1.00 O ATOM 741 CB TRP A 51 50.301 -3.590 21.647 1.00 1.00 C ATOM 742 CG TRP A 51 50.590 -5.030 21.371 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.653 -5.998 21.240 1.00 1.00 C ATOM 744 CD2 TRP A 51 51.881 -5.682 21.192 1.00 1.00 C ATOM 745 NE1 TRP A 51 50.287 -7.202 20.991 1.00 1.00 N ATOM 746 CE2 TRP A 51 51.660 -7.059 20.953 1.00 1.00 C ATOM 747 CE3 TRP A 51 53.207 -5.217 21.214 1.00 1.00 C ATOM 748 CZ2 TRP A 51 52.719 -7.944 20.742 1.00 1.00 C ATOM 749 CZ3 TRP A 51 54.275 -6.103 21.002 1.00 1.00 C ATOM 750 CH2 TRP A 51 54.032 -7.464 20.767 1.00 1.00 C ATOM 0 H TRP A 51 48.803 -1.659 22.260 1.00 1.00 H new ATOM 0 HA TRP A 51 49.080 -4.395 23.226 1.00 1.00 H new ATOM 0 HB2 TRP A 51 49.678 -3.175 20.855 1.00 1.00 H new ATOM 0 HB3 TRP A 51 51.228 -3.017 21.656 1.00 1.00 H new ATOM 0 HD1 TRP A 51 48.585 -5.854 21.317 1.00 1.00 H new ATOM 0 HE1 TRP A 51 49.800 -8.087 20.852 1.00 1.00 H new ATOM 0 HE3 TRP A 51 53.406 -4.171 21.395 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 52.526 -8.991 20.561 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 55.290 -5.734 21.020 1.00 1.00 H new ATOM 0 HH2 TRP A 51 54.858 -8.141 20.606 1.00 1.00 H new ATOM 761 N THR A 52 50.551 -1.974 24.655 1.00 1.00 N ATOM 762 CA THR A 52 51.477 -1.584 25.711 1.00 1.00 C ATOM 763 C THR A 52 50.791 -1.639 27.073 1.00 1.00 C ATOM 764 O THR A 52 51.224 -0.985 28.021 1.00 1.00 O ATOM 765 CB THR A 52 51.992 -0.165 25.455 1.00 1.00 C ATOM 766 OG1 THR A 52 53.172 0.053 26.217 1.00 1.00 O ATOM 767 CG2 THR A 52 50.923 0.849 25.863 1.00 1.00 C ATOM 0 H THR A 52 49.870 -1.258 24.402 1.00 1.00 H new ATOM 0 HA THR A 52 52.315 -2.281 25.710 1.00 1.00 H new ATOM 0 HB THR A 52 52.216 -0.045 24.395 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.002 -0.174 27.155 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.291 1.859 25.680 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.019 0.680 25.277 1.00 1.00 H new ATOM 0 HG23 THR A 52 50.696 0.732 26.923 1.00 1.00 H new ATOM 775 N VAL A 53 49.720 -2.425 27.157 1.00 1.00 N ATOM 776 CA VAL A 53 48.973 -2.565 28.404 1.00 1.00 C ATOM 777 C VAL A 53 48.966 -4.019 28.863 1.00 1.00 C ATOM 778 O VAL A 53 49.371 -4.327 29.984 1.00 1.00 O ATOM 779 CB VAL A 53 47.535 -2.084 28.206 1.00 1.00 C ATOM 780 CG1 VAL A 53 46.834 -1.997 29.562 1.00 1.00 C ATOM 781 CG2 VAL A 53 47.547 -0.702 27.549 1.00 1.00 C ATOM 0 H VAL A 53 49.351 -2.973 26.379 1.00 1.00 H new ATOM 0 HA VAL A 53 49.458 -1.957 29.168 1.00 1.00 H new ATOM 0 HB VAL A 53 47.001 -2.787 27.566 1.00 1.00 H new ATOM 0 HG11 VAL A 53 45.809 -1.654 29.420 1.00 1.00 H new ATOM 0 HG12 VAL A 53 46.826 -2.981 30.031 1.00 1.00 H new ATOM 0 HG13 VAL A 53 47.367 -1.294 30.202 1.00 1.00 H new ATOM 0 HG21 VAL A 53 46.523 -0.358 27.407 1.00 1.00 H new ATOM 0 HG22 VAL A 53 48.081 0.001 28.189 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.046 -0.763 26.582 1.00 1.00 H new ATOM 791 N PHE A 54 48.503 -4.908 27.990 1.00 1.00 N ATOM 792 CA PHE A 54 48.449 -6.329 28.316 1.00 1.00 C ATOM 793 C PHE A 54 49.588 -7.078 27.634 1.00 1.00 C ATOM 794 O PHE A 54 49.377 -8.128 27.026 1.00 1.00 O ATOM 795 CB PHE A 54 47.109 -6.916 27.869 1.00 1.00 C ATOM 796 CG PHE A 54 45.980 -6.126 28.485 1.00 1.00 C ATOM 797 CD1 PHE A 54 45.454 -5.016 27.812 1.00 1.00 C ATOM 798 CD2 PHE A 54 45.460 -6.500 29.730 1.00 1.00 C ATOM 799 CE1 PHE A 54 44.407 -4.283 28.383 1.00 1.00 C ATOM 800 CE2 PHE A 54 44.415 -5.767 30.301 1.00 1.00 C ATOM 801 CZ PHE A 54 43.888 -4.658 29.628 1.00 1.00 C ATOM 0 H PHE A 54 48.162 -4.672 27.058 1.00 1.00 H new ATOM 0 HA PHE A 54 48.552 -6.440 29.395 1.00 1.00 H new ATOM 0 HB2 PHE A 54 47.034 -6.890 26.782 1.00 1.00 H new ATOM 0 HB3 PHE A 54 47.040 -7.962 28.169 1.00 1.00 H new ATOM 0 HD1 PHE A 54 45.856 -4.726 26.853 1.00 1.00 H new ATOM 0 HD2 PHE A 54 45.866 -7.355 30.250 1.00 1.00 H new ATOM 0 HE1 PHE A 54 44.000 -3.428 27.863 1.00 1.00 H new ATOM 0 HE2 PHE A 54 44.014 -6.056 31.261 1.00 1.00 H new ATOM 0 HZ PHE A 54 43.081 -4.092 30.069 1.00 1.00 H new ATOM 811 N ARG A 55 50.795 -6.531 27.736 1.00 1.00 N ATOM 812 CA ARG A 55 51.960 -7.155 27.122 1.00 1.00 C ATOM 813 C ARG A 55 53.206 -6.927 27.973 1.00 1.00 C ATOM 814 O ARG A 55 53.841 -7.878 28.428 1.00 1.00 O ATOM 815 CB ARG A 55 52.183 -6.574 25.725 1.00 1.00 C ATOM 816 CG ARG A 55 53.061 -7.528 24.908 1.00 1.00 C ATOM 817 CD ARG A 55 52.179 -8.451 24.062 1.00 1.00 C ATOM 818 NE ARG A 55 51.352 -9.289 24.921 1.00 1.00 N ATOM 819 CZ ARG A 55 51.816 -10.428 25.425 1.00 1.00 C ATOM 820 NH1 ARG A 55 53.033 -10.813 25.155 1.00 1.00 N ATOM 821 NH2 ARG A 55 51.054 -11.161 26.189 1.00 1.00 N ATOM 0 H ARG A 55 50.991 -5.663 28.235 1.00 1.00 H new ATOM 0 HA ARG A 55 51.778 -8.227 27.049 1.00 1.00 H new ATOM 0 HB2 ARG A 55 51.226 -6.425 25.225 1.00 1.00 H new ATOM 0 HB3 ARG A 55 52.660 -5.597 25.798 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.730 -6.958 24.263 1.00 1.00 H new ATOM 0 HG3 ARG A 55 53.688 -8.120 25.575 1.00 1.00 H new ATOM 0 HD2 ARG A 55 51.545 -7.857 23.404 1.00 1.00 H new ATOM 0 HD3 ARG A 55 52.803 -9.077 23.424 1.00 1.00 H new ATOM 0 HE ARG A 55 50.400 -8.996 25.139 1.00 1.00 H new ATOM 0 HH11 ARG A 55 53.628 -10.240 24.557 1.00 1.00 H new ATOM 0 HH12 ARG A 55 53.389 -11.687 25.542 1.00 1.00 H new ATOM 0 HH21 ARG A 55 50.102 -10.860 26.399 1.00 1.00 H new ATOM 0 HH22 ARG A 55 51.410 -12.035 26.576 1.00 1.00 H new ATOM 835 N LYS A 56 53.550 -5.661 28.180 1.00 1.00 N ATOM 836 CA LYS A 56 54.724 -5.321 28.975 1.00 1.00 C ATOM 837 C LYS A 56 54.398 -5.375 30.465 1.00 1.00 C ATOM 838 O LYS A 56 55.130 -5.981 31.248 1.00 1.00 O ATOM 839 CB LYS A 56 55.214 -3.918 28.609 1.00 1.00 C ATOM 840 CG LYS A 56 54.915 -3.644 27.134 1.00 1.00 C ATOM 841 CD LYS A 56 55.639 -2.370 26.694 1.00 1.00 C ATOM 842 CE LYS A 56 55.372 -2.118 25.208 1.00 1.00 C ATOM 843 NZ LYS A 56 56.536 -2.593 24.408 1.00 1.00 N ATOM 0 H LYS A 56 53.038 -4.859 27.812 1.00 1.00 H new ATOM 0 HA LYS A 56 55.507 -6.048 28.760 1.00 1.00 H new ATOM 0 HB2 LYS A 56 54.722 -3.174 29.235 1.00 1.00 H new ATOM 0 HB3 LYS A 56 56.285 -3.834 28.796 1.00 1.00 H new ATOM 0 HG2 LYS A 56 55.238 -4.488 26.524 1.00 1.00 H new ATOM 0 HG3 LYS A 56 53.841 -3.535 26.984 1.00 1.00 H new ATOM 0 HD2 LYS A 56 55.295 -1.521 27.285 1.00 1.00 H new ATOM 0 HD3 LYS A 56 56.710 -2.468 26.870 1.00 1.00 H new ATOM 0 HE2 LYS A 56 54.466 -2.638 24.897 1.00 1.00 H new ATOM 0 HE3 LYS A 56 55.205 -1.055 25.032 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 56.356 -2.422 23.398 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 57.391 -2.077 24.699 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 56.675 -3.611 24.568 1.00 1.00 H new ATOM 857 N LYS A 57 53.297 -4.738 30.848 1.00 1.00 N ATOM 858 CA LYS A 57 52.886 -4.720 32.247 1.00 1.00 C ATOM 859 C LYS A 57 52.596 -6.135 32.732 1.00 1.00 C ATOM 860 O LYS A 57 52.702 -6.430 33.922 1.00 1.00 O ATOM 861 CB LYS A 57 51.632 -3.858 32.415 1.00 1.00 C ATOM 862 CG LYS A 57 51.913 -2.433 31.929 1.00 1.00 C ATOM 863 CD LYS A 57 52.458 -1.597 33.088 1.00 1.00 C ATOM 864 CE LYS A 57 51.293 -1.001 33.880 1.00 1.00 C ATOM 865 NZ LYS A 57 51.701 -0.819 35.302 1.00 1.00 N ATOM 0 H LYS A 57 52.678 -4.231 30.216 1.00 1.00 H new ATOM 0 HA LYS A 57 53.698 -4.298 32.840 1.00 1.00 H new ATOM 0 HB2 LYS A 57 50.805 -4.288 31.850 1.00 1.00 H new ATOM 0 HB3 LYS A 57 51.328 -3.842 33.462 1.00 1.00 H new ATOM 0 HG2 LYS A 57 52.632 -2.452 31.110 1.00 1.00 H new ATOM 0 HG3 LYS A 57 50.999 -1.983 31.540 1.00 1.00 H new ATOM 0 HD2 LYS A 57 53.075 -2.217 33.739 1.00 1.00 H new ATOM 0 HD3 LYS A 57 53.097 -0.801 32.707 1.00 1.00 H new ATOM 0 HE2 LYS A 57 50.999 -0.044 33.450 1.00 1.00 H new ATOM 0 HE3 LYS A 57 50.425 -1.658 33.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 50.909 -0.414 35.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 51.962 -1.740 35.709 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 52.517 -0.176 35.349 1.00 1.00 H new ATOM 879 N GLY A 58 52.230 -7.008 31.799 1.00 1.00 N ATOM 880 CA GLY A 58 51.925 -8.393 32.137 1.00 1.00 C ATOM 881 C GLY A 58 50.659 -8.859 31.428 1.00 1.00 C ATOM 882 O GLY A 58 49.552 -8.457 31.785 1.00 1.00 O ATOM 0 H GLY A 58 52.138 -6.783 30.809 1.00 1.00 H new ATOM 0 HA2 GLY A 58 52.761 -9.033 31.855 1.00 1.00 H new ATOM 0 HA3 GLY A 58 51.799 -8.489 33.215 1.00 1.00 H new ATOM 886 N HIS A 59 50.832 -9.710 30.422 1.00 1.00 N ATOM 887 CA HIS A 59 49.696 -10.227 29.666 1.00 1.00 C ATOM 888 C HIS A 59 48.540 -10.565 30.600 1.00 1.00 C ATOM 889 O HIS A 59 47.376 -10.536 30.198 1.00 1.00 O ATOM 890 CB HIS A 59 50.113 -11.477 28.892 1.00 1.00 C ATOM 891 CG HIS A 59 49.910 -12.692 29.754 1.00 1.00 C ATOM 892 ND1 HIS A 59 48.682 -13.327 29.859 1.00 1.00 N ATOM 893 CD2 HIS A 59 50.769 -13.402 30.556 1.00 1.00 C ATOM 894 CE1 HIS A 59 48.834 -14.368 30.698 1.00 1.00 C ATOM 895 NE2 HIS A 59 50.087 -14.460 31.151 1.00 1.00 N ATOM 0 H HIS A 59 51.741 -10.055 30.113 1.00 1.00 H new ATOM 0 HA HIS A 59 49.368 -9.459 28.966 1.00 1.00 H new ATOM 0 HB2 HIS A 59 49.526 -11.564 27.978 1.00 1.00 H new ATOM 0 HB3 HIS A 59 51.158 -11.401 28.593 1.00 1.00 H new ATOM 0 HD1 HIS A 59 47.820 -13.055 29.386 1.00 1.00 H new ATOM 0 HD2 HIS A 59 51.814 -13.174 30.703 1.00 1.00 H new ATOM 0 HE1 HIS A 59 48.040 -15.046 30.972 1.00 1.00 H new ATOM 903 N HIS A 60 48.866 -10.887 31.848 1.00 1.00 N ATOM 904 CA HIS A 60 47.846 -11.229 32.831 1.00 1.00 C ATOM 905 C HIS A 60 47.223 -9.966 33.417 1.00 1.00 C ATOM 906 O HIS A 60 46.004 -9.875 33.567 1.00 1.00 O ATOM 907 CB HIS A 60 48.462 -12.065 33.954 1.00 1.00 C ATOM 908 CG HIS A 60 48.134 -13.517 33.737 1.00 1.00 C ATOM 909 ND1 HIS A 60 46.829 -13.978 33.675 1.00 1.00 N ATOM 910 CD2 HIS A 60 48.930 -14.621 33.565 1.00 1.00 C ATOM 911 CE1 HIS A 60 46.877 -15.308 33.473 1.00 1.00 C ATOM 912 NE2 HIS A 60 48.135 -15.751 33.399 1.00 1.00 N ATOM 0 H HIS A 60 49.823 -10.918 32.200 1.00 1.00 H new ATOM 0 HA HIS A 60 47.068 -11.808 32.333 1.00 1.00 H new ATOM 0 HB2 HIS A 60 49.543 -11.925 33.975 1.00 1.00 H new ATOM 0 HB3 HIS A 60 48.079 -11.735 34.920 1.00 1.00 H new ATOM 0 HD2 HIS A 60 50.010 -14.614 33.559 1.00 1.00 H new ATOM 0 HE1 HIS A 60 46.005 -15.939 33.382 1.00 1.00 H new ATOM 0 HE2 HIS A 60 48.446 -16.711 33.252 1.00 1.00 H new ATOM 920 N HIS A 61 48.067 -8.994 33.746 1.00 1.00 N ATOM 921 CA HIS A 61 47.590 -7.740 34.315 1.00 1.00 C ATOM 922 C HIS A 61 47.259 -7.914 35.793 1.00 1.00 C ATOM 923 O HIS A 61 46.256 -7.392 36.280 1.00 1.00 O ATOM 924 CB HIS A 61 46.344 -7.265 33.564 1.00 1.00 C ATOM 925 CG HIS A 61 46.321 -5.762 33.533 1.00 1.00 C ATOM 926 ND1 HIS A 61 45.764 -5.010 34.556 1.00 1.00 N ATOM 927 CD2 HIS A 61 46.782 -4.856 32.611 1.00 1.00 C ATOM 928 CE1 HIS A 61 45.903 -3.712 34.228 1.00 1.00 C ATOM 929 NE2 HIS A 61 46.518 -3.562 33.051 1.00 1.00 N ATOM 0 H HIS A 61 49.079 -9.050 33.629 1.00 1.00 H new ATOM 0 HA HIS A 61 48.380 -6.995 34.216 1.00 1.00 H new ATOM 0 HB2 HIS A 61 46.346 -7.660 32.548 1.00 1.00 H new ATOM 0 HB3 HIS A 61 45.446 -7.643 34.052 1.00 1.00 H new ATOM 0 HD1 HIS A 61 45.328 -5.374 35.403 1.00 1.00 H new ATOM 0 HD2 HIS A 61 47.275 -5.109 31.684 1.00 1.00 H new ATOM 0 HE1 HIS A 61 45.559 -2.892 34.841 1.00 1.00 H new ATOM 937 N HIS A 62 48.109 -8.650 36.502 1.00 1.00 N ATOM 938 CA HIS A 62 47.896 -8.886 37.925 1.00 1.00 C ATOM 939 C HIS A 62 48.030 -7.584 38.708 1.00 1.00 C ATOM 940 O HIS A 62 47.207 -6.679 38.568 1.00 1.00 O ATOM 941 CB HIS A 62 48.912 -9.905 38.443 1.00 1.00 C ATOM 942 CG HIS A 62 50.300 -9.481 38.046 1.00 1.00 C ATOM 943 ND1 HIS A 62 50.587 -8.189 37.632 1.00 1.00 N ATOM 944 CD2 HIS A 62 51.489 -10.164 37.998 1.00 1.00 C ATOM 945 CE1 HIS A 62 51.904 -8.135 37.356 1.00 1.00 C ATOM 946 NE2 HIS A 62 52.501 -9.312 37.562 1.00 1.00 N ATOM 0 H HIS A 62 48.945 -9.090 36.118 1.00 1.00 H new ATOM 0 HA HIS A 62 46.888 -9.278 38.064 1.00 1.00 H new ATOM 0 HB2 HIS A 62 48.842 -9.985 39.528 1.00 1.00 H new ATOM 0 HB3 HIS A 62 48.692 -10.892 38.036 1.00 1.00 H new ATOM 0 HD2 HIS A 62 51.620 -11.204 38.259 1.00 1.00 H new ATOM 0 HE1 HIS A 62 52.415 -7.249 37.010 1.00 1.00 H new ATOM 0 HE2 HIS A 62 53.487 -9.538 37.429 1.00 1.00 H new ATOM 954 N HIS A 63 49.072 -7.499 39.531 1.00 1.00 N ATOM 955 CA HIS A 63 49.312 -6.307 40.333 1.00 1.00 C ATOM 956 C HIS A 63 50.579 -5.603 39.873 1.00 1.00 C ATOM 957 O HIS A 63 50.918 -5.611 38.689 1.00 1.00 O ATOM 958 CB HIS A 63 49.449 -6.693 41.806 1.00 1.00 C ATOM 959 CG HIS A 63 48.391 -7.702 42.160 1.00 1.00 C ATOM 960 ND1 HIS A 63 48.457 -9.021 41.740 1.00 1.00 N ATOM 961 CD2 HIS A 63 47.233 -7.600 42.891 1.00 1.00 C ATOM 962 CE1 HIS A 63 47.370 -9.655 42.217 1.00 1.00 C ATOM 963 NE2 HIS A 63 46.590 -8.833 42.926 1.00 1.00 N ATOM 0 H HIS A 63 49.761 -8.240 39.659 1.00 1.00 H new ATOM 0 HA HIS A 63 48.467 -5.629 40.210 1.00 1.00 H new ATOM 0 HB2 HIS A 63 50.439 -7.108 41.994 1.00 1.00 H new ATOM 0 HB3 HIS A 63 49.349 -5.809 42.436 1.00 1.00 H new ATOM 0 HD2 HIS A 63 46.876 -6.699 43.367 1.00 1.00 H new ATOM 0 HE1 HIS A 63 47.154 -10.700 42.048 1.00 1.00 H new ATOM 0 HE2 HIS A 63 45.712 -9.061 43.392 1.00 1.00 H new ATOM 971 N HIS A 64 51.271 -4.998 40.822 1.00 1.00 N ATOM 972 CA HIS A 64 52.507 -4.283 40.525 1.00 1.00 C ATOM 973 C HIS A 64 53.586 -5.254 40.055 1.00 1.00 C ATOM 974 O HIS A 64 54.187 -5.895 40.901 1.00 1.00 O ATOM 975 CB HIS A 64 52.993 -3.540 41.768 1.00 1.00 C ATOM 976 CG HIS A 64 52.824 -2.059 41.567 1.00 1.00 C ATOM 977 ND1 HIS A 64 53.507 -1.364 40.582 1.00 1.00 N ATOM 978 CD2 HIS A 64 52.053 -1.127 42.218 1.00 1.00 C ATOM 979 CE1 HIS A 64 53.139 -0.072 40.667 1.00 1.00 C ATOM 980 NE2 HIS A 64 52.254 0.127 41.647 1.00 1.00 N ATOM 981 OXT HIS A 64 53.796 -5.342 38.856 1.00 1.00 O ATOM 0 H HIS A 64 51.001 -4.985 41.806 1.00 1.00 H new ATOM 0 HA HIS A 64 52.308 -3.565 39.730 1.00 1.00 H new ATOM 0 HB2 HIS A 64 52.429 -3.865 42.642 1.00 1.00 H new ATOM 0 HB3 HIS A 64 54.040 -3.775 41.958 1.00 1.00 H new ATOM 0 HD2 HIS A 64 51.392 -1.335 43.046 1.00 1.00 H new ATOM 0 HE1 HIS A 64 53.514 0.708 40.021 1.00 1.00 H new ATOM 0 HE2 HIS A 64 51.819 1.008 41.919 1.00 1.00 H new TER 989 HIS A 64