USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -46:sc= 0.0224 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 42 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.63) USER MOD Single : A 46 ASN : amide:sc= -0.0964 K(o=-0.096,f=-1) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -47:sc= 0.00871 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -170:sc= -1.19 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc=-0.00972 K(o=-0.0097,f=-0.98) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 59:sc= 0.728 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 16.094 -18.037 -3.494 1.00 0.00 N ATOM 2 CA GLY A 31 14.693 -18.505 -3.473 1.00 0.00 C ATOM 3 C GLY A 31 14.250 -18.757 -2.042 1.00 0.00 C ATOM 4 O GLY A 31 15.045 -18.566 -1.129 1.00 0.00 O ATOM 0 HA2 GLY A 31 14.046 -17.761 -3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.598 -19.420 -4.058 1.00 0.00 H new ATOM 8 N ASN A 32 13.016 -19.237 -1.864 1.00 0.00 N ATOM 9 CA ASN A 32 12.432 -19.534 -0.551 1.00 0.00 C ATOM 10 C ASN A 32 12.004 -21.007 -0.451 1.00 0.00 C ATOM 11 O ASN A 32 12.563 -21.755 0.346 1.00 0.00 O ATOM 12 CB ASN A 32 11.282 -18.541 -0.300 1.00 0.00 C ATOM 13 CG ASN A 32 10.629 -18.758 1.056 1.00 0.00 C ATOM 14 OD1 ASN A 32 11.246 -18.579 2.091 1.00 0.00 O ATOM 15 ND2 ASN A 32 9.372 -19.148 1.087 1.00 0.00 N ATOM 0 H ASN A 32 12.384 -19.434 -2.640 1.00 0.00 H new ATOM 0 HA ASN A 32 13.173 -19.403 0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 32 11.663 -17.522 -0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.533 -18.648 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.908 -19.302 1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.862 -19.296 0.216 1.00 0.00 H new ATOM 22 N GLY A 33 11.042 -21.421 -1.285 1.00 0.00 N ATOM 23 CA GLY A 33 10.439 -22.752 -1.258 1.00 0.00 C ATOM 24 C GLY A 33 9.275 -22.847 -0.264 1.00 0.00 C ATOM 25 O GLY A 33 9.198 -22.094 0.703 1.00 0.00 O ATOM 0 H GLY A 33 10.654 -20.822 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.082 -23.007 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.199 -23.487 -0.994 1.00 0.00 H new ATOM 29 N SER A 34 8.376 -23.809 -0.490 1.00 0.00 N ATOM 30 CA SER A 34 7.195 -24.057 0.345 1.00 0.00 C ATOM 31 C SER A 34 7.140 -25.538 0.727 1.00 0.00 C ATOM 32 O SER A 34 6.461 -26.327 0.077 1.00 0.00 O ATOM 33 CB SER A 34 5.915 -23.622 -0.387 1.00 0.00 C ATOM 34 OG SER A 34 5.830 -22.216 -0.537 1.00 0.00 O ATOM 0 H SER A 34 8.450 -24.453 -1.277 1.00 0.00 H new ATOM 0 HA SER A 34 7.268 -23.465 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.884 -24.092 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.045 -23.979 0.164 1.00 0.00 H new ATOM 0 HG SER A 34 5.002 -21.987 -1.009 1.00 0.00 H new ATOM 40 N THR A 35 7.893 -25.917 1.767 1.00 0.00 N ATOM 41 CA THR A 35 8.078 -27.306 2.238 1.00 0.00 C ATOM 42 C THR A 35 7.906 -27.417 3.765 1.00 0.00 C ATOM 43 O THR A 35 8.515 -28.266 4.411 1.00 0.00 O ATOM 44 CB THR A 35 9.426 -27.838 1.693 1.00 0.00 C ATOM 45 OG1 THR A 35 9.590 -29.242 1.772 1.00 0.00 O ATOM 46 CG2 THR A 35 10.660 -27.182 2.327 1.00 0.00 C ATOM 0 H THR A 35 8.413 -25.243 2.329 1.00 0.00 H new ATOM 0 HA THR A 35 7.295 -27.953 1.842 1.00 0.00 H new ATOM 0 HB THR A 35 9.363 -27.556 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.317 -29.554 2.660 1.00 0.00 H new ATOM 0 HG21 THR A 35 11.563 -27.609 1.892 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.639 -26.109 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.656 -27.361 3.402 1.00 0.00 H new ATOM 54 N ILE A 36 7.068 -26.545 4.344 1.00 0.00 N ATOM 55 CA ILE A 36 6.802 -26.450 5.785 1.00 0.00 C ATOM 56 C ILE A 36 5.376 -26.938 6.086 1.00 0.00 C ATOM 57 O ILE A 36 4.489 -26.872 5.234 1.00 0.00 O ATOM 58 CB ILE A 36 7.052 -25.008 6.317 1.00 0.00 C ATOM 59 CG1 ILE A 36 8.349 -24.365 5.759 1.00 0.00 C ATOM 60 CG2 ILE A 36 7.145 -25.033 7.857 1.00 0.00 C ATOM 61 CD1 ILE A 36 8.157 -23.613 4.430 1.00 0.00 C ATOM 0 H ILE A 36 6.538 -25.863 3.802 1.00 0.00 H new ATOM 0 HA ILE A 36 7.501 -27.098 6.314 1.00 0.00 H new ATOM 0 HB ILE A 36 6.210 -24.404 5.978 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.747 -23.673 6.501 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.097 -25.145 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.320 -24.023 8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.212 -25.415 8.272 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.969 -25.679 8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.110 -23.193 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.790 -24.304 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.435 -22.808 4.568 1.00 0.00 H new ATOM 73 N THR A 37 5.151 -27.416 7.313 1.00 0.00 N ATOM 74 CA THR A 37 3.851 -27.814 7.858 1.00 0.00 C ATOM 75 C THR A 37 2.799 -26.701 7.780 1.00 0.00 C ATOM 76 O THR A 37 3.111 -25.510 7.724 1.00 0.00 O ATOM 77 CB THR A 37 3.997 -28.250 9.335 1.00 0.00 C ATOM 78 OG1 THR A 37 5.254 -27.901 9.889 1.00 0.00 O ATOM 79 CG2 THR A 37 3.796 -29.755 9.496 1.00 0.00 C ATOM 0 H THR A 37 5.907 -27.542 7.986 1.00 0.00 H new ATOM 0 HA THR A 37 3.508 -28.644 7.241 1.00 0.00 H new ATOM 0 HB THR A 37 3.219 -27.711 9.875 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.294 -28.197 10.822 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.906 -30.026 10.546 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.798 -30.028 9.153 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.541 -30.287 8.904 1.00 0.00 H new ATOM 87 N PHE A 38 1.524 -27.095 7.869 1.00 0.00 N ATOM 88 CA PHE A 38 0.379 -26.180 7.821 1.00 0.00 C ATOM 89 C PHE A 38 0.335 -25.173 8.993 1.00 0.00 C ATOM 90 O PHE A 38 -0.384 -24.176 8.901 1.00 0.00 O ATOM 91 CB PHE A 38 -0.920 -26.998 7.742 1.00 0.00 C ATOM 92 CG PHE A 38 -0.920 -28.130 6.723 1.00 0.00 C ATOM 93 CD1 PHE A 38 -0.728 -27.863 5.352 1.00 0.00 C ATOM 94 CD2 PHE A 38 -1.101 -29.462 7.148 1.00 0.00 C ATOM 95 CE1 PHE A 38 -0.714 -28.915 4.417 1.00 0.00 C ATOM 96 CE2 PHE A 38 -1.095 -30.513 6.213 1.00 0.00 C ATOM 97 CZ PHE A 38 -0.902 -30.240 4.848 1.00 0.00 C ATOM 0 H PHE A 38 1.255 -28.073 7.978 1.00 0.00 H new ATOM 0 HA PHE A 38 0.491 -25.569 6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.125 -27.419 8.727 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.742 -26.321 7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.591 -26.845 5.017 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.245 -29.677 8.197 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.559 -28.705 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.239 -31.531 6.544 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.898 -31.047 4.131 1.00 0.00 H new ATOM 107 N ASP A 39 1.134 -25.390 10.052 1.00 0.00 N ATOM 108 CA ASP A 39 1.366 -24.482 11.184 1.00 0.00 C ATOM 109 C ASP A 39 1.633 -23.032 10.737 1.00 0.00 C ATOM 110 O ASP A 39 1.124 -22.094 11.359 1.00 0.00 O ATOM 111 CB ASP A 39 2.573 -24.963 12.023 1.00 0.00 C ATOM 112 CG ASP A 39 2.445 -26.324 12.724 1.00 0.00 C ATOM 113 OD1 ASP A 39 1.963 -27.263 12.049 1.00 0.00 O ATOM 114 OD2 ASP A 39 2.928 -26.423 13.886 1.00 0.00 O ATOM 0 H ASP A 39 1.666 -26.256 10.144 1.00 0.00 H new ATOM 0 HA ASP A 39 0.453 -24.496 11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.445 -25.001 11.370 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.777 -24.209 12.784 1.00 0.00 H new ATOM 119 N GLU A 40 2.395 -22.840 9.646 1.00 0.00 N ATOM 120 CA GLU A 40 2.690 -21.508 9.107 1.00 0.00 C ATOM 121 C GLU A 40 1.394 -20.795 8.698 1.00 0.00 C ATOM 122 O GLU A 40 1.091 -19.706 9.194 1.00 0.00 O ATOM 123 CB GLU A 40 3.662 -21.572 7.913 1.00 0.00 C ATOM 124 CG GLU A 40 4.975 -22.312 8.210 1.00 0.00 C ATOM 125 CD GLU A 40 6.188 -21.595 7.600 1.00 0.00 C ATOM 126 OE1 GLU A 40 6.254 -21.525 6.353 1.00 0.00 O ATOM 127 OE2 GLU A 40 7.025 -21.088 8.395 1.00 0.00 O ATOM 0 H GLU A 40 2.820 -23.602 9.118 1.00 0.00 H new ATOM 0 HA GLU A 40 3.177 -20.938 9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.162 -22.063 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.895 -20.556 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.108 -22.396 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.917 -23.326 7.816 1.00 0.00 H new ATOM 134 N LEU A 41 0.609 -21.432 7.816 1.00 0.00 N ATOM 135 CA LEU A 41 -0.684 -20.935 7.343 1.00 0.00 C ATOM 136 C LEU A 41 -1.665 -20.712 8.498 1.00 0.00 C ATOM 137 O LEU A 41 -2.381 -19.712 8.489 1.00 0.00 O ATOM 138 CB LEU A 41 -1.299 -21.898 6.310 1.00 0.00 C ATOM 139 CG LEU A 41 -0.922 -21.650 4.838 1.00 0.00 C ATOM 140 CD1 LEU A 41 -1.331 -20.252 4.358 1.00 0.00 C ATOM 141 CD2 LEU A 41 0.564 -21.886 4.561 1.00 0.00 C ATOM 0 H LEU A 41 0.866 -22.329 7.404 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.500 -19.973 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.005 -22.914 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.384 -21.847 6.399 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.489 -22.386 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.043 -20.127 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.411 -20.136 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.830 -19.498 4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.772 -21.696 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.160 -21.212 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.819 -22.918 4.801 1.00 0.00 H new ATOM 153 N GLN A 42 -1.679 -21.612 9.490 1.00 0.00 N ATOM 154 CA GLN A 42 -2.440 -21.424 10.724 1.00 0.00 C ATOM 155 C GLN A 42 -2.114 -20.070 11.363 1.00 0.00 C ATOM 156 O GLN A 42 -2.985 -19.200 11.396 1.00 0.00 O ATOM 157 CB GLN A 42 -2.193 -22.594 11.696 1.00 0.00 C ATOM 158 CG GLN A 42 -3.198 -23.738 11.516 1.00 0.00 C ATOM 159 CD GLN A 42 -4.621 -23.373 11.945 1.00 0.00 C ATOM 160 OE1 GLN A 42 -4.881 -22.418 12.662 1.00 0.00 O ATOM 161 NE2 GLN A 42 -5.606 -24.128 11.507 1.00 0.00 N ATOM 0 H GLN A 42 -1.161 -22.490 9.456 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.503 -21.419 10.482 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.183 -22.977 11.548 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.247 -22.227 12.721 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.209 -24.040 10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.863 -24.600 12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.407 -24.929 10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.568 -23.912 11.767 1.00 0.00 H new ATOM 170 N GLY A 43 -0.869 -19.863 11.817 1.00 0.00 N ATOM 171 CA GLY A 43 -0.443 -18.618 12.468 1.00 0.00 C ATOM 172 C GLY A 43 -0.664 -17.362 11.611 1.00 0.00 C ATOM 173 O GLY A 43 -1.063 -16.313 12.130 1.00 0.00 O ATOM 0 H GLY A 43 -0.127 -20.559 11.742 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.986 -18.506 13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.615 -18.694 12.719 1.00 0.00 H new ATOM 177 N LEU A 44 -0.459 -17.487 10.292 1.00 0.00 N ATOM 178 CA LEU A 44 -0.743 -16.448 9.304 1.00 0.00 C ATOM 179 C LEU A 44 -2.202 -15.969 9.366 1.00 0.00 C ATOM 180 O LEU A 44 -2.448 -14.777 9.571 1.00 0.00 O ATOM 181 CB LEU A 44 -0.418 -16.956 7.891 1.00 0.00 C ATOM 182 CG LEU A 44 1.049 -16.780 7.452 1.00 0.00 C ATOM 183 CD1 LEU A 44 1.386 -17.822 6.383 1.00 0.00 C ATOM 184 CD2 LEU A 44 1.275 -15.382 6.862 1.00 0.00 C ATOM 0 H LEU A 44 -0.081 -18.338 9.876 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.108 -15.595 9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.673 -18.014 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.059 -16.436 7.179 1.00 0.00 H new ATOM 0 HG LEU A 44 1.688 -16.907 8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.423 -17.700 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.246 -18.822 6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.730 -17.687 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.317 -15.279 6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.629 -15.244 5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.040 -14.628 7.613 1.00 0.00 H new ATOM 196 N VAL A 45 -3.179 -16.866 9.167 1.00 0.00 N ATOM 197 CA VAL A 45 -4.596 -16.468 9.217 1.00 0.00 C ATOM 198 C VAL A 45 -5.036 -16.101 10.641 1.00 0.00 C ATOM 199 O VAL A 45 -5.917 -15.258 10.799 1.00 0.00 O ATOM 200 CB VAL A 45 -5.538 -17.502 8.560 1.00 0.00 C ATOM 201 CG1 VAL A 45 -6.963 -16.928 8.399 1.00 0.00 C ATOM 202 CG2 VAL A 45 -5.009 -17.935 7.179 1.00 0.00 C ATOM 0 H VAL A 45 -3.020 -17.855 8.973 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.681 -15.565 8.613 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.573 -18.371 9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.606 -17.675 7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.362 -16.665 9.379 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.928 -16.038 7.770 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.691 -18.663 6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.938 -17.064 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.023 -18.385 7.292 1.00 0.00 H new ATOM 212 N ASN A 46 -4.375 -16.651 11.669 1.00 0.00 N ATOM 213 CA ASN A 46 -4.647 -16.362 13.079 1.00 0.00 C ATOM 214 C ASN A 46 -4.546 -14.863 13.398 1.00 0.00 C ATOM 215 O ASN A 46 -5.493 -14.285 13.922 1.00 0.00 O ATOM 216 CB ASN A 46 -3.694 -17.190 13.969 1.00 0.00 C ATOM 217 CG ASN A 46 -4.350 -17.782 15.206 1.00 0.00 C ATOM 218 OD1 ASN A 46 -5.533 -18.084 15.253 1.00 0.00 O ATOM 219 ND2 ASN A 46 -3.572 -18.009 16.246 1.00 0.00 N ATOM 0 H ASN A 46 -3.620 -17.324 11.538 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.677 -16.650 13.291 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.271 -17.999 13.374 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.864 -16.556 14.280 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.958 -18.436 17.088 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.584 -17.758 16.208 1.00 0.00 H new ATOM 226 N SER A 47 -3.396 -14.235 13.110 1.00 0.00 N ATOM 227 CA SER A 47 -3.188 -12.802 13.376 1.00 0.00 C ATOM 228 C SER A 47 -2.014 -12.219 12.574 1.00 0.00 C ATOM 229 O SER A 47 -1.095 -11.625 13.126 1.00 0.00 O ATOM 230 CB SER A 47 -3.026 -12.561 14.888 1.00 0.00 C ATOM 231 OG SER A 47 -3.391 -11.232 15.207 1.00 0.00 O ATOM 0 H SER A 47 -2.591 -14.700 12.690 1.00 0.00 H new ATOM 0 HA SER A 47 -4.075 -12.269 13.035 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.648 -13.262 15.445 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.994 -12.745 15.186 1.00 0.00 H new ATOM 0 HG SER A 47 -3.287 -11.086 16.171 1.00 0.00 H new ATOM 237 N THR A 48 -2.022 -12.419 11.250 1.00 0.00 N ATOM 238 CA THR A 48 -1.035 -11.826 10.328 1.00 0.00 C ATOM 239 C THR A 48 -1.712 -11.358 9.042 1.00 0.00 C ATOM 240 O THR A 48 -1.724 -10.162 8.751 1.00 0.00 O ATOM 241 CB THR A 48 0.097 -12.816 10.001 1.00 0.00 C ATOM 242 OG1 THR A 48 0.705 -13.328 11.163 1.00 0.00 O ATOM 243 CG2 THR A 48 1.191 -12.205 9.128 1.00 0.00 C ATOM 0 H THR A 48 -2.717 -13.000 10.782 1.00 0.00 H new ATOM 0 HA THR A 48 -0.595 -10.964 10.829 1.00 0.00 H new ATOM 0 HB THR A 48 -0.391 -13.620 9.450 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.417 -13.953 10.912 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.960 -12.952 8.932 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.760 -11.872 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.635 -11.354 9.644 1.00 0.00 H new ATOM 251 N VAL A 49 -2.312 -12.282 8.276 1.00 0.00 N ATOM 252 CA VAL A 49 -2.968 -11.952 7.003 1.00 0.00 C ATOM 253 C VAL A 49 -4.157 -11.015 7.228 1.00 0.00 C ATOM 254 O VAL A 49 -4.355 -10.081 6.456 1.00 0.00 O ATOM 255 CB VAL A 49 -3.361 -13.226 6.218 1.00 0.00 C ATOM 256 CG1 VAL A 49 -4.779 -13.739 6.507 1.00 0.00 C ATOM 257 CG2 VAL A 49 -3.238 -12.978 4.710 1.00 0.00 C ATOM 0 H VAL A 49 -2.356 -13.271 8.520 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.250 -11.417 6.382 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.666 -13.994 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.970 -14.634 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.870 -13.979 7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.505 -12.969 6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.517 -13.882 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.900 -12.162 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.209 -12.713 4.468 1.00 0.00 H new ATOM 267 N THR A 50 -4.909 -11.230 8.320 1.00 0.00 N ATOM 268 CA THR A 50 -6.096 -10.447 8.673 1.00 0.00 C ATOM 269 C THR A 50 -5.748 -8.985 8.947 1.00 0.00 C ATOM 270 O THR A 50 -6.535 -8.102 8.615 1.00 0.00 O ATOM 271 CB THR A 50 -6.845 -11.074 9.862 1.00 0.00 C ATOM 272 OG1 THR A 50 -8.143 -10.532 9.930 1.00 0.00 O ATOM 273 CG2 THR A 50 -6.173 -10.860 11.220 1.00 0.00 C ATOM 0 H THR A 50 -4.702 -11.968 8.993 1.00 0.00 H new ATOM 0 HA THR A 50 -6.764 -10.465 7.812 1.00 0.00 H new ATOM 0 HB THR A 50 -6.850 -12.148 9.674 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.624 -10.930 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.769 -11.335 12.000 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.176 -11.301 11.206 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.095 -9.792 11.423 1.00 0.00 H new ATOM 281 N GLN A 51 -4.565 -8.719 9.519 1.00 0.00 N ATOM 282 CA GLN A 51 -4.104 -7.363 9.797 1.00 0.00 C ATOM 283 C GLN A 51 -3.819 -6.581 8.514 1.00 0.00 C ATOM 284 O GLN A 51 -4.025 -5.369 8.497 1.00 0.00 O ATOM 285 CB GLN A 51 -2.867 -7.383 10.709 1.00 0.00 C ATOM 286 CG GLN A 51 -3.210 -7.765 12.156 1.00 0.00 C ATOM 287 CD GLN A 51 -2.066 -7.403 13.100 1.00 0.00 C ATOM 288 OE1 GLN A 51 -1.150 -8.171 13.333 1.00 0.00 O ATOM 289 NE2 GLN A 51 -2.069 -6.206 13.656 1.00 0.00 N ATOM 0 H GLN A 51 -3.904 -9.443 9.800 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.911 -6.848 10.318 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.139 -8.091 10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.395 -6.400 10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.120 -7.251 12.466 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.412 -8.834 12.216 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.833 -5.557 13.466 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.308 -5.930 14.276 1.00 0.00 H new ATOM 298 N ALA A 52 -3.410 -7.258 7.432 1.00 0.00 N ATOM 299 CA ALA A 52 -3.098 -6.620 6.157 1.00 0.00 C ATOM 300 C ALA A 52 -4.311 -5.869 5.582 1.00 0.00 C ATOM 301 O ALA A 52 -4.191 -4.700 5.208 1.00 0.00 O ATOM 302 CB ALA A 52 -2.574 -7.682 5.181 1.00 0.00 C ATOM 0 H ALA A 52 -3.287 -8.271 7.423 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.324 -5.869 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.338 -7.213 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.675 -8.141 5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.336 -8.447 5.032 1.00 0.00 H new ATOM 308 N ILE A 53 -5.482 -6.529 5.557 1.00 0.00 N ATOM 309 CA ILE A 53 -6.740 -5.943 5.077 1.00 0.00 C ATOM 310 C ILE A 53 -7.088 -4.702 5.905 1.00 0.00 C ATOM 311 O ILE A 53 -7.283 -3.625 5.344 1.00 0.00 O ATOM 312 CB ILE A 53 -7.899 -6.975 5.077 1.00 0.00 C ATOM 313 CG1 ILE A 53 -7.533 -8.269 4.309 1.00 0.00 C ATOM 314 CG2 ILE A 53 -9.159 -6.355 4.449 1.00 0.00 C ATOM 315 CD1 ILE A 53 -7.227 -9.423 5.266 1.00 0.00 C ATOM 0 H ILE A 53 -5.580 -7.494 5.873 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.600 -5.639 4.040 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.088 -7.242 6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.357 -8.549 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.667 -8.083 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.966 -7.088 4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.460 -5.480 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.945 -6.058 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.974 -10.314 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.386 -9.153 5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.102 -9.625 5.884 1.00 0.00 H new ATOM 327 N LEU A 54 -7.115 -4.847 7.239 1.00 0.00 N ATOM 328 CA LEU A 54 -7.418 -3.767 8.182 1.00 0.00 C ATOM 329 C LEU A 54 -6.484 -2.574 7.953 1.00 0.00 C ATOM 330 O LEU A 54 -6.963 -1.456 7.760 1.00 0.00 O ATOM 331 CB LEU A 54 -7.292 -4.254 9.641 1.00 0.00 C ATOM 332 CG LEU A 54 -8.098 -5.517 10.003 1.00 0.00 C ATOM 333 CD1 LEU A 54 -7.555 -6.152 11.292 1.00 0.00 C ATOM 334 CD2 LEU A 54 -9.609 -5.263 10.110 1.00 0.00 C ATOM 0 H LEU A 54 -6.923 -5.737 7.698 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.447 -3.453 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.240 -4.446 9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.605 -3.445 10.302 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.967 -6.217 9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.136 -7.042 11.532 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.510 -6.428 11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.633 -5.437 12.111 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.117 -6.193 10.367 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.799 -4.519 10.884 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.985 -4.897 9.155 1.00 0.00 H new ATOM 346 N PHE A 55 -5.164 -2.825 7.951 1.00 0.00 N ATOM 347 CA PHE A 55 -4.122 -1.822 7.752 1.00 0.00 C ATOM 348 C PHE A 55 -4.292 -1.086 6.423 1.00 0.00 C ATOM 349 O PHE A 55 -4.283 0.143 6.419 1.00 0.00 O ATOM 350 CB PHE A 55 -2.728 -2.457 7.860 1.00 0.00 C ATOM 351 CG PHE A 55 -1.634 -1.442 8.128 1.00 0.00 C ATOM 352 CD1 PHE A 55 -1.458 -0.946 9.435 1.00 0.00 C ATOM 353 CD2 PHE A 55 -0.798 -0.984 7.090 1.00 0.00 C ATOM 354 CE1 PHE A 55 -0.449 -0.006 9.707 1.00 0.00 C ATOM 355 CE2 PHE A 55 0.210 -0.040 7.364 1.00 0.00 C ATOM 356 CZ PHE A 55 0.385 0.448 8.671 1.00 0.00 C ATOM 0 H PHE A 55 -4.788 -3.763 8.093 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.221 -1.081 8.545 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.733 -3.197 8.660 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.504 -2.989 6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.101 -1.290 10.232 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.930 -1.357 6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.315 0.367 10.712 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.851 0.310 6.568 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.160 1.171 8.879 1.00 0.00 H new ATOM 366 N GLY A 56 -4.504 -1.815 5.321 1.00 0.00 N ATOM 367 CA GLY A 56 -4.811 -1.232 4.016 1.00 0.00 C ATOM 368 C GLY A 56 -6.018 -0.291 4.069 1.00 0.00 C ATOM 369 O GLY A 56 -5.900 0.866 3.665 1.00 0.00 O ATOM 0 H GLY A 56 -4.466 -2.834 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.942 -0.684 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.007 -2.031 3.301 1.00 0.00 H new ATOM 373 N VAL A 57 -7.155 -0.758 4.608 1.00 0.00 N ATOM 374 CA VAL A 57 -8.403 0.022 4.717 1.00 0.00 C ATOM 375 C VAL A 57 -8.156 1.351 5.434 1.00 0.00 C ATOM 376 O VAL A 57 -8.357 2.420 4.845 1.00 0.00 O ATOM 377 CB VAL A 57 -9.513 -0.783 5.430 1.00 0.00 C ATOM 378 CG1 VAL A 57 -10.775 0.066 5.652 1.00 0.00 C ATOM 379 CG2 VAL A 57 -9.911 -2.048 4.655 1.00 0.00 C ATOM 0 H VAL A 57 -7.237 -1.702 4.987 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.745 0.236 3.704 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.090 -1.075 6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.533 -0.534 6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.528 0.931 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.160 0.404 4.690 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.694 -2.577 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.280 -1.769 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.042 -2.697 4.547 1.00 0.00 H new ATOM 389 N ARG A 58 -7.703 1.289 6.697 1.00 0.00 N ATOM 390 CA ARG A 58 -7.413 2.496 7.483 1.00 0.00 C ATOM 391 C ARG A 58 -6.364 3.372 6.804 1.00 0.00 C ATOM 392 O ARG A 58 -6.535 4.583 6.815 1.00 0.00 O ATOM 393 CB ARG A 58 -7.038 2.168 8.939 1.00 0.00 C ATOM 394 CG ARG A 58 -5.729 1.377 9.068 1.00 0.00 C ATOM 395 CD ARG A 58 -5.410 0.968 10.506 1.00 0.00 C ATOM 396 NE ARG A 58 -4.473 1.916 11.132 1.00 0.00 N ATOM 397 CZ ARG A 58 -3.983 1.845 12.362 1.00 0.00 C ATOM 398 NH1 ARG A 58 -4.372 0.913 13.204 1.00 0.00 N ATOM 399 NH2 ARG A 58 -3.090 2.717 12.765 1.00 0.00 N ATOM 0 H ARG A 58 -7.530 0.415 7.194 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.335 3.075 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.949 3.097 9.502 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.846 1.596 9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.790 0.483 8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.908 1.979 8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.331 0.925 11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.979 -0.033 10.515 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.171 2.706 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.066 0.223 12.916 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.980 0.880 14.145 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.772 3.451 12.132 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.714 2.661 13.711 1.00 0.00 H new ATOM 413 N SER A 59 -5.327 2.786 6.192 1.00 0.00 N ATOM 414 CA SER A 59 -4.277 3.514 5.474 1.00 0.00 C ATOM 415 C SER A 59 -4.870 4.372 4.354 1.00 0.00 C ATOM 416 O SER A 59 -4.631 5.576 4.327 1.00 0.00 O ATOM 417 CB SER A 59 -3.222 2.538 4.940 1.00 0.00 C ATOM 418 OG SER A 59 -2.185 3.227 4.277 1.00 0.00 O ATOM 0 H SER A 59 -5.193 1.775 6.183 1.00 0.00 H new ATOM 0 HA SER A 59 -3.785 4.191 6.172 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.808 1.957 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.689 1.831 4.255 1.00 0.00 H new ATOM 0 HG SER A 59 -1.524 2.584 3.947 1.00 0.00 H new ATOM 424 N GLY A 60 -5.704 3.787 3.483 1.00 0.00 N ATOM 425 CA GLY A 60 -6.382 4.517 2.409 1.00 0.00 C ATOM 426 C GLY A 60 -7.272 5.652 2.914 1.00 0.00 C ATOM 427 O GLY A 60 -7.144 6.793 2.462 1.00 0.00 O ATOM 0 H GLY A 60 -5.926 2.792 3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.634 4.926 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.989 3.819 1.832 1.00 0.00 H new ATOM 431 N ALA A 61 -8.171 5.345 3.856 1.00 0.00 N ATOM 432 CA ALA A 61 -9.084 6.335 4.420 1.00 0.00 C ATOM 433 C ALA A 61 -8.333 7.463 5.153 1.00 0.00 C ATOM 434 O ALA A 61 -8.607 8.640 4.909 1.00 0.00 O ATOM 435 CB ALA A 61 -10.089 5.624 5.333 1.00 0.00 C ATOM 0 H ALA A 61 -8.283 4.408 4.244 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.626 6.821 3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.775 6.356 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.653 4.893 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.555 5.117 6.137 1.00 0.00 H new ATOM 441 N ALA A 62 -7.359 7.110 6.008 1.00 0.00 N ATOM 442 CA ALA A 62 -6.494 8.047 6.725 1.00 0.00 C ATOM 443 C ALA A 62 -5.667 8.916 5.766 1.00 0.00 C ATOM 444 O ALA A 62 -5.521 10.118 5.992 1.00 0.00 O ATOM 445 CB ALA A 62 -5.584 7.291 7.697 1.00 0.00 C ATOM 0 H ALA A 62 -7.150 6.135 6.222 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.136 8.720 7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.946 8.000 8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.194 6.747 8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.964 6.587 7.142 1.00 0.00 H new ATOM 451 N ALA A 63 -5.165 8.335 4.673 1.00 0.00 N ATOM 452 CA ALA A 63 -4.482 9.075 3.626 1.00 0.00 C ATOM 453 C ALA A 63 -5.410 10.115 2.976 1.00 0.00 C ATOM 454 O ALA A 63 -5.058 11.292 2.939 1.00 0.00 O ATOM 455 CB ALA A 63 -3.868 8.090 2.633 1.00 0.00 C ATOM 0 H ALA A 63 -5.225 7.332 4.495 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.665 9.656 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.354 8.641 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.156 7.448 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.656 7.478 2.194 1.00 0.00 H new ATOM 461 N LEU A 64 -6.612 9.728 2.527 1.00 0.00 N ATOM 462 CA LEU A 64 -7.581 10.670 1.951 1.00 0.00 C ATOM 463 C LEU A 64 -7.900 11.848 2.887 1.00 0.00 C ATOM 464 O LEU A 64 -7.809 13.001 2.458 1.00 0.00 O ATOM 465 CB LEU A 64 -8.836 9.906 1.502 1.00 0.00 C ATOM 466 CG LEU A 64 -10.030 10.817 1.118 1.00 0.00 C ATOM 467 CD1 LEU A 64 -10.684 10.337 -0.178 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.082 10.868 2.236 1.00 0.00 C ATOM 0 H LEU A 64 -6.938 8.762 2.552 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.129 11.132 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.581 9.281 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.147 9.237 2.304 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.634 11.822 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.519 10.991 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.952 10.359 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.048 9.318 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.904 11.516 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.462 9.864 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.628 11.261 3.146 1.00 0.00 H new ATOM 480 N THR A 65 -8.267 11.581 4.148 1.00 0.00 N ATOM 481 CA THR A 65 -8.552 12.661 5.109 1.00 0.00 C ATOM 482 C THR A 65 -7.338 13.584 5.306 1.00 0.00 C ATOM 483 O THR A 65 -7.499 14.805 5.274 1.00 0.00 O ATOM 484 CB THR A 65 -9.128 12.137 6.435 1.00 0.00 C ATOM 485 OG1 THR A 65 -9.427 13.205 7.303 1.00 0.00 O ATOM 486 CG2 THR A 65 -8.193 11.198 7.178 1.00 0.00 C ATOM 0 H THR A 65 -8.373 10.639 4.525 1.00 0.00 H new ATOM 0 HA THR A 65 -9.340 13.274 4.671 1.00 0.00 H new ATOM 0 HB THR A 65 -10.024 11.583 6.155 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.794 12.853 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.667 10.869 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.976 10.331 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.264 11.719 7.411 1.00 0.00 H new ATOM 494 N LEU A 66 -6.109 13.050 5.409 1.00 0.00 N ATOM 495 CA LEU A 66 -4.909 13.887 5.542 1.00 0.00 C ATOM 496 C LEU A 66 -4.702 14.792 4.309 1.00 0.00 C ATOM 497 O LEU A 66 -4.353 15.964 4.464 1.00 0.00 O ATOM 498 CB LEU A 66 -3.677 13.025 5.926 1.00 0.00 C ATOM 499 CG LEU A 66 -2.658 12.736 4.801 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.661 13.894 4.618 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.887 11.432 5.027 1.00 0.00 C ATOM 0 H LEU A 66 -5.923 12.047 5.403 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.052 14.582 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.153 13.524 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.036 12.072 6.314 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.249 12.630 3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.963 13.650 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.203 14.804 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.110 14.050 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.185 11.278 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.339 11.491 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.587 10.598 5.067 1.00 0.00 H new ATOM 513 N ILE A 67 -4.947 14.268 3.097 1.00 0.00 N ATOM 514 CA ILE A 67 -4.779 14.997 1.834 1.00 0.00 C ATOM 515 C ILE A 67 -5.664 16.241 1.844 1.00 0.00 C ATOM 516 O ILE A 67 -5.157 17.355 1.699 1.00 0.00 O ATOM 517 CB ILE A 67 -5.090 14.088 0.626 1.00 0.00 C ATOM 518 CG1 ILE A 67 -4.034 12.983 0.451 1.00 0.00 C ATOM 519 CG2 ILE A 67 -5.193 14.872 -0.694 1.00 0.00 C ATOM 520 CD1 ILE A 67 -4.612 11.788 -0.321 1.00 0.00 C ATOM 0 H ILE A 67 -5.273 13.310 2.968 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.740 15.311 1.736 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.058 13.640 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.170 13.381 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.682 12.653 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.413 14.184 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.991 15.610 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.248 15.378 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.846 11.021 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.460 11.377 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.941 12.116 -1.307 1.00 0.00 H new ATOM 532 N VAL A 68 -6.977 16.060 2.049 1.00 0.00 N ATOM 533 CA VAL A 68 -7.911 17.190 2.127 1.00 0.00 C ATOM 534 C VAL A 68 -7.557 18.144 3.266 1.00 0.00 C ATOM 535 O VAL A 68 -7.542 19.351 3.041 1.00 0.00 O ATOM 536 CB VAL A 68 -9.392 16.773 2.174 1.00 0.00 C ATOM 537 CG1 VAL A 68 -9.784 16.023 0.895 1.00 0.00 C ATOM 538 CG2 VAL A 68 -9.756 15.908 3.381 1.00 0.00 C ATOM 0 H VAL A 68 -7.414 15.145 2.163 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.789 17.730 1.188 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.949 17.706 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.834 15.737 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.627 16.670 0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.169 15.129 0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.816 15.656 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.165 14.993 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.548 16.458 4.299 1.00 0.00 H new ATOM 548 N VAL A 69 -7.195 17.635 4.454 1.00 0.00 N ATOM 549 CA VAL A 69 -6.757 18.470 5.586 1.00 0.00 C ATOM 550 C VAL A 69 -5.610 19.389 5.170 1.00 0.00 C ATOM 551 O VAL A 69 -5.674 20.592 5.417 1.00 0.00 O ATOM 552 CB VAL A 69 -6.378 17.607 6.808 1.00 0.00 C ATOM 553 CG1 VAL A 69 -5.639 18.411 7.888 1.00 0.00 C ATOM 554 CG2 VAL A 69 -7.627 16.986 7.451 1.00 0.00 C ATOM 0 H VAL A 69 -7.197 16.636 4.658 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.596 19.099 5.885 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.715 16.829 6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.395 17.757 8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.720 18.823 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.276 19.224 8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.332 16.383 8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.300 17.779 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.136 16.355 6.722 1.00 0.00 H new ATOM 564 N TRP A 70 -4.584 18.866 4.492 1.00 0.00 N ATOM 565 CA TRP A 70 -3.508 19.704 3.972 1.00 0.00 C ATOM 566 C TRP A 70 -3.942 20.608 2.804 1.00 0.00 C ATOM 567 O TRP A 70 -3.424 21.712 2.703 1.00 0.00 O ATOM 568 CB TRP A 70 -2.300 18.839 3.609 1.00 0.00 C ATOM 569 CG TRP A 70 -1.151 19.628 3.064 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.180 20.222 3.791 1.00 0.00 C ATOM 571 CD2 TRP A 70 -0.889 19.988 1.677 1.00 0.00 C ATOM 572 NE1 TRP A 70 0.680 20.901 2.948 1.00 0.00 N ATOM 573 CE2 TRP A 70 0.285 20.794 1.631 1.00 0.00 C ATOM 574 CE3 TRP A 70 -1.547 19.728 0.457 1.00 0.00 C ATOM 575 CZ2 TRP A 70 0.798 21.301 0.426 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -1.053 20.243 -0.756 1.00 0.00 C ATOM 577 CH2 TRP A 70 0.121 21.020 -0.774 1.00 0.00 C ATOM 0 H TRP A 70 -4.479 17.871 4.293 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.223 20.392 4.768 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -1.971 18.296 4.495 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.603 18.095 2.873 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -0.089 20.174 4.866 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.503 21.416 3.261 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.443 19.125 0.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.698 21.897 0.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.577 20.041 -1.678 1.00 0.00 H new ATOM 0 HH2 TRP A 70 0.502 21.401 -1.710 1.00 0.00 H new ATOM 588 N ILE A 71 -4.907 20.220 1.961 1.00 0.00 N ATOM 589 CA ILE A 71 -5.428 21.066 0.866 1.00 0.00 C ATOM 590 C ILE A 71 -6.168 22.315 1.376 1.00 0.00 C ATOM 591 O ILE A 71 -6.089 23.362 0.737 1.00 0.00 O ATOM 592 CB ILE A 71 -6.322 20.227 -0.078 1.00 0.00 C ATOM 593 CG1 ILE A 71 -5.447 19.310 -0.960 1.00 0.00 C ATOM 594 CG2 ILE A 71 -7.234 21.080 -0.983 1.00 0.00 C ATOM 595 CD1 ILE A 71 -6.205 18.077 -1.458 1.00 0.00 C ATOM 0 H ILE A 71 -5.355 19.305 2.015 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.569 21.434 0.304 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.973 19.637 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.080 19.877 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.574 18.990 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.832 20.426 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.894 21.688 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.621 21.730 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.543 17.467 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.549 17.492 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.063 18.393 -2.051 1.00 0.00 H new ATOM 607 N THR A 72 -6.868 22.233 2.515 1.00 0.00 N ATOM 608 CA THR A 72 -7.632 23.360 3.086 1.00 0.00 C ATOM 609 C THR A 72 -6.969 23.942 4.338 1.00 0.00 C ATOM 610 O THR A 72 -6.573 25.112 4.335 1.00 0.00 O ATOM 611 CB THR A 72 -9.118 23.009 3.309 1.00 0.00 C ATOM 612 OG1 THR A 72 -9.704 23.953 4.171 1.00 0.00 O ATOM 613 CG2 THR A 72 -9.389 21.605 3.853 1.00 0.00 C ATOM 0 H THR A 72 -6.923 21.380 3.072 1.00 0.00 H new ATOM 0 HA THR A 72 -7.616 24.153 2.339 1.00 0.00 H new ATOM 0 HB THR A 72 -9.564 23.032 2.314 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.648 23.728 4.309 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.463 21.462 3.973 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.000 20.863 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.898 21.488 4.819 1.00 0.00 H new ATOM 621 N SER A 73 -6.797 23.127 5.387 1.00 0.00 N ATOM 622 CA SER A 73 -6.227 23.544 6.668 1.00 0.00 C ATOM 623 C SER A 73 -4.723 23.812 6.597 1.00 0.00 C ATOM 624 O SER A 73 -4.221 24.517 7.468 1.00 0.00 O ATOM 625 CB SER A 73 -6.471 22.475 7.742 1.00 0.00 C ATOM 626 OG SER A 73 -6.467 23.083 9.018 1.00 0.00 O ATOM 0 H SER A 73 -7.056 22.141 5.365 1.00 0.00 H new ATOM 0 HA SER A 73 -6.730 24.476 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.425 21.978 7.566 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.698 21.708 7.690 1.00 0.00 H new ATOM 0 HG SER A 73 -5.691 23.677 9.095 1.00 0.00 H new ATOM 632 N ARG A 74 -4.023 23.246 5.596 1.00 0.00 N ATOM 633 CA ARG A 74 -2.580 23.396 5.338 1.00 0.00 C ATOM 634 C ARG A 74 -1.745 23.237 6.617 1.00 0.00 C ATOM 635 O ARG A 74 -0.957 24.107 6.974 1.00 0.00 O ATOM 636 CB ARG A 74 -2.299 24.723 4.589 1.00 0.00 C ATOM 637 CG ARG A 74 -2.432 24.636 3.064 1.00 0.00 C ATOM 638 CD ARG A 74 -3.875 24.627 2.539 1.00 0.00 C ATOM 639 NE ARG A 74 -4.503 25.959 2.562 1.00 0.00 N ATOM 640 CZ ARG A 74 -4.210 26.977 1.759 1.00 0.00 C ATOM 641 NH1 ARG A 74 -3.314 26.861 0.801 1.00 0.00 N ATOM 642 NH2 ARG A 74 -4.802 28.138 1.902 1.00 0.00 N ATOM 0 H ARG A 74 -4.473 22.640 4.910 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.263 22.584 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.986 25.485 4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.291 25.057 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.905 25.480 2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.931 23.731 2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.882 24.245 1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.470 23.940 3.140 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.231 26.115 3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.827 25.975 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.107 27.657 0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.497 28.269 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.567 28.910 1.279 1.00 0.00 H new ATOM 656 N SER A 75 -1.894 22.085 7.287 1.00 0.00 N ATOM 657 CA SER A 75 -1.223 21.782 8.560 1.00 0.00 C ATOM 658 C SER A 75 0.284 22.045 8.510 1.00 0.00 C ATOM 659 O SER A 75 0.748 22.987 9.151 1.00 0.00 O ATOM 660 CB SER A 75 -1.510 20.343 9.011 1.00 0.00 C ATOM 661 OG SER A 75 -2.634 20.325 9.860 1.00 0.00 O ATOM 0 H SER A 75 -2.492 21.328 6.956 1.00 0.00 H new ATOM 0 HA SER A 75 -1.640 22.466 9.299 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.688 19.709 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.643 19.935 9.531 1.00 0.00 H new ATOM 0 HG SER A 75 -2.815 19.405 10.144 1.00 0.00 H new ATOM 667 N ARG A 76 1.038 21.205 7.784 1.00 0.00 N ATOM 668 CA ARG A 76 2.468 21.370 7.500 1.00 0.00 C ATOM 669 C ARG A 76 2.822 20.714 6.168 1.00 0.00 C ATOM 670 O ARG A 76 2.143 19.786 5.738 1.00 0.00 O ATOM 671 CB ARG A 76 3.324 20.746 8.630 1.00 0.00 C ATOM 672 CG ARG A 76 3.310 21.517 9.963 1.00 0.00 C ATOM 673 CD ARG A 76 3.942 22.914 9.820 1.00 0.00 C ATOM 674 NE ARG A 76 3.453 23.874 10.824 1.00 0.00 N ATOM 675 CZ ARG A 76 3.720 25.176 10.846 1.00 0.00 C ATOM 676 NH1 ARG A 76 4.529 25.726 9.968 1.00 0.00 N ATOM 677 NH2 ARG A 76 3.185 25.963 11.752 1.00 0.00 N ATOM 0 H ARG A 76 0.651 20.360 7.363 1.00 0.00 H new ATOM 0 HA ARG A 76 2.683 22.437 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.972 19.730 8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.355 20.669 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.283 21.616 10.315 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.852 20.948 10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.025 22.827 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.732 23.301 8.823 1.00 0.00 H new ATOM 0 HE ARG A 76 2.858 23.508 11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.968 25.151 9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.718 26.728 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.553 25.577 12.454 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.401 26.960 11.754 1.00 0.00 H new ATOM 691 N LYS A 77 3.897 21.196 5.533 1.00 0.00 N ATOM 692 CA LYS A 77 4.478 20.630 4.311 1.00 0.00 C ATOM 693 C LYS A 77 5.110 19.272 4.639 1.00 0.00 C ATOM 694 O LYS A 77 6.268 19.192 5.049 1.00 0.00 O ATOM 695 CB LYS A 77 5.504 21.597 3.691 1.00 0.00 C ATOM 696 CG LYS A 77 4.942 23.002 3.412 1.00 0.00 C ATOM 697 CD LYS A 77 6.030 23.882 2.778 1.00 0.00 C ATOM 698 CE LYS A 77 5.514 25.263 2.356 1.00 0.00 C ATOM 699 NZ LYS A 77 5.189 26.122 3.521 1.00 0.00 N ATOM 0 H LYS A 77 4.402 22.017 5.867 1.00 0.00 H new ATOM 0 HA LYS A 77 3.693 20.483 3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.359 21.684 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.873 21.171 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.082 22.934 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.591 23.454 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.848 24.007 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.440 23.372 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.266 25.757 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.625 25.143 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.844 27.045 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.452 25.664 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.042 26.260 4.099 1.00 0.00 H new ATOM 713 N THR A 78 4.309 18.214 4.523 1.00 0.00 N ATOM 714 CA THR A 78 4.710 16.821 4.711 1.00 0.00 C ATOM 715 C THR A 78 5.877 16.450 3.786 1.00 0.00 C ATOM 716 O THR A 78 6.003 17.008 2.693 1.00 0.00 O ATOM 717 CB THR A 78 3.508 15.879 4.477 1.00 0.00 C ATOM 718 OG1 THR A 78 2.465 16.528 3.779 1.00 0.00 O ATOM 719 CG2 THR A 78 2.911 15.401 5.800 1.00 0.00 C ATOM 0 H THR A 78 3.322 18.308 4.285 1.00 0.00 H new ATOM 0 HA THR A 78 5.050 16.703 5.740 1.00 0.00 H new ATOM 0 HB THR A 78 3.897 15.041 3.898 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.665 15.962 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.067 14.740 5.601 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.669 14.861 6.367 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.570 16.261 6.377 1.00 0.00 H new ATOM 727 N PRO A 79 6.744 15.505 4.197 1.00 0.00 N ATOM 728 CA PRO A 79 7.919 15.138 3.416 1.00 0.00 C ATOM 729 C PRO A 79 7.511 14.466 2.102 1.00 0.00 C ATOM 730 O PRO A 79 6.501 13.761 2.037 1.00 0.00 O ATOM 731 CB PRO A 79 8.739 14.208 4.320 1.00 0.00 C ATOM 732 CG PRO A 79 7.694 13.606 5.253 1.00 0.00 C ATOM 733 CD PRO A 79 6.662 14.714 5.415 1.00 0.00 C ATOM 0 HA PRO A 79 8.508 16.007 3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.253 13.439 3.744 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.502 14.756 4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.250 12.706 4.827 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.130 13.324 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.662 14.302 5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.875 15.323 6.293 1.00 0.00 H new ATOM 741 N ILE A 80 8.354 14.622 1.073 1.00 0.00 N ATOM 742 CA ILE A 80 8.167 14.008 -0.248 1.00 0.00 C ATOM 743 C ILE A 80 7.817 12.518 -0.144 1.00 0.00 C ATOM 744 O ILE A 80 6.864 12.073 -0.774 1.00 0.00 O ATOM 745 CB ILE A 80 9.395 14.236 -1.163 1.00 0.00 C ATOM 746 CG1 ILE A 80 10.742 13.926 -0.463 1.00 0.00 C ATOM 747 CG2 ILE A 80 9.393 15.677 -1.705 1.00 0.00 C ATOM 748 CD1 ILE A 80 11.927 13.756 -1.421 1.00 0.00 C ATOM 0 H ILE A 80 9.200 15.188 1.136 1.00 0.00 H new ATOM 0 HA ILE A 80 7.316 14.507 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 80 9.305 13.531 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.968 14.731 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.631 13.015 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.261 15.825 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.483 15.848 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.433 16.379 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.830 13.542 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.726 12.931 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.068 14.674 -1.991 1.00 0.00 H new ATOM 760 N PHE A 81 8.515 11.771 0.722 1.00 0.00 N ATOM 761 CA PHE A 81 8.279 10.352 0.970 1.00 0.00 C ATOM 762 C PHE A 81 6.844 10.052 1.408 1.00 0.00 C ATOM 763 O PHE A 81 6.238 9.127 0.871 1.00 0.00 O ATOM 764 CB PHE A 81 9.291 9.829 2.005 1.00 0.00 C ATOM 765 CG PHE A 81 10.593 9.340 1.398 1.00 0.00 C ATOM 766 CD1 PHE A 81 10.567 8.283 0.467 1.00 0.00 C ATOM 767 CD2 PHE A 81 11.827 9.909 1.772 1.00 0.00 C ATOM 768 CE1 PHE A 81 11.761 7.806 -0.097 1.00 0.00 C ATOM 769 CE2 PHE A 81 13.023 9.424 1.212 1.00 0.00 C ATOM 770 CZ PHE A 81 12.991 8.374 0.277 1.00 0.00 C ATOM 0 H PHE A 81 9.278 12.152 1.281 1.00 0.00 H new ATOM 0 HA PHE A 81 8.421 9.829 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.510 10.623 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.834 9.014 2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.624 7.838 0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.854 10.717 2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 81 11.734 7.003 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 81 13.968 9.859 1.501 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.910 8.005 -0.153 1.00 0.00 H new ATOM 780 N ILE A 82 6.289 10.841 2.337 1.00 0.00 N ATOM 781 CA ILE A 82 4.895 10.716 2.773 1.00 0.00 C ATOM 782 C ILE A 82 3.976 10.920 1.561 1.00 0.00 C ATOM 783 O ILE A 82 3.171 10.042 1.262 1.00 0.00 O ATOM 784 CB ILE A 82 4.602 11.677 3.956 1.00 0.00 C ATOM 785 CG1 ILE A 82 4.906 11.071 5.349 1.00 0.00 C ATOM 786 CG2 ILE A 82 3.142 12.164 3.992 1.00 0.00 C ATOM 787 CD1 ILE A 82 6.191 10.244 5.498 1.00 0.00 C ATOM 0 H ILE A 82 6.799 11.588 2.809 1.00 0.00 H new ATOM 0 HA ILE A 82 4.700 9.716 3.161 1.00 0.00 H new ATOM 0 HB ILE A 82 5.278 12.510 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.947 11.888 6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.064 10.438 5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.002 12.832 4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.914 12.698 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.475 11.307 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.275 9.883 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.158 9.394 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.054 10.866 5.261 1.00 0.00 H new ATOM 799 N ILE A 83 4.109 12.041 0.838 1.00 0.00 N ATOM 800 CA ILE A 83 3.214 12.364 -0.285 1.00 0.00 C ATOM 801 C ILE A 83 3.296 11.316 -1.410 1.00 0.00 C ATOM 802 O ILE A 83 2.266 10.859 -1.914 1.00 0.00 O ATOM 803 CB ILE A 83 3.495 13.780 -0.832 1.00 0.00 C ATOM 804 CG1 ILE A 83 3.466 14.888 0.244 1.00 0.00 C ATOM 805 CG2 ILE A 83 2.493 14.112 -1.956 1.00 0.00 C ATOM 806 CD1 ILE A 83 2.134 15.037 0.993 1.00 0.00 C ATOM 0 H ILE A 83 4.830 12.742 1.011 1.00 0.00 H new ATOM 0 HA ILE A 83 2.196 12.343 0.104 1.00 0.00 H new ATOM 0 HB ILE A 83 4.514 13.762 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.253 14.687 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.706 15.839 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.695 15.112 -2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.597 13.386 -2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.478 14.072 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.216 15.840 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.342 15.274 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.897 14.103 1.503 1.00 0.00 H new ATOM 818 N ASN A 84 4.515 10.905 -1.779 1.00 0.00 N ATOM 819 CA ASN A 84 4.769 9.833 -2.739 1.00 0.00 C ATOM 820 C ASN A 84 4.075 8.529 -2.330 1.00 0.00 C ATOM 821 O ASN A 84 3.361 7.941 -3.147 1.00 0.00 O ATOM 822 CB ASN A 84 6.286 9.621 -2.894 1.00 0.00 C ATOM 823 CG ASN A 84 6.869 10.486 -3.999 1.00 0.00 C ATOM 824 OD1 ASN A 84 7.255 11.626 -3.809 1.00 0.00 O ATOM 825 ND2 ASN A 84 6.936 9.947 -5.199 1.00 0.00 N ATOM 0 H ASN A 84 5.369 11.320 -1.408 1.00 0.00 H new ATOM 0 HA ASN A 84 4.350 10.131 -3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.783 9.852 -1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.486 8.572 -3.111 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.314 10.485 -5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.610 8.992 -5.348 1.00 0.00 H new ATOM 832 N GLN A 85 4.266 8.094 -1.074 1.00 0.00 N ATOM 833 CA GLN A 85 3.584 6.921 -0.533 1.00 0.00 C ATOM 834 C GLN A 85 2.068 7.067 -0.633 1.00 0.00 C ATOM 835 O GLN A 85 1.423 6.151 -1.133 1.00 0.00 O ATOM 836 CB GLN A 85 3.993 6.653 0.922 1.00 0.00 C ATOM 837 CG GLN A 85 5.352 5.947 1.013 1.00 0.00 C ATOM 838 CD GLN A 85 5.690 5.515 2.438 1.00 0.00 C ATOM 839 OE1 GLN A 85 4.835 5.216 3.258 1.00 0.00 O ATOM 840 NE2 GLN A 85 6.960 5.413 2.772 1.00 0.00 N ATOM 0 H GLN A 85 4.896 8.548 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 85 3.891 6.067 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.037 7.596 1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.232 6.040 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.348 5.072 0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.131 6.615 0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.686 5.659 2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.218 5.088 3.704 1.00 0.00 H new ATOM 849 N VAL A 86 1.509 8.205 -0.197 1.00 0.00 N ATOM 850 CA VAL A 86 0.067 8.482 -0.255 1.00 0.00 C ATOM 851 C VAL A 86 -0.469 8.233 -1.664 1.00 0.00 C ATOM 852 O VAL A 86 -1.354 7.397 -1.822 1.00 0.00 O ATOM 853 CB VAL A 86 -0.258 9.909 0.231 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.749 10.225 0.060 1.00 0.00 C ATOM 855 CG2 VAL A 86 0.134 10.138 1.698 1.00 0.00 C ATOM 0 H VAL A 86 2.051 8.967 0.210 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.436 7.794 0.425 1.00 0.00 H new ATOM 0 HB VAL A 86 0.337 10.579 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.949 11.237 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.019 10.146 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.340 9.517 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.117 11.159 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.408 9.437 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.206 9.981 1.817 1.00 0.00 H new ATOM 865 N SER A 87 0.087 8.909 -2.680 1.00 0.00 N ATOM 866 CA SER A 87 -0.346 8.746 -4.072 1.00 0.00 C ATOM 867 C SER A 87 -0.294 7.280 -4.518 1.00 0.00 C ATOM 868 O SER A 87 -1.315 6.722 -4.926 1.00 0.00 O ATOM 869 CB SER A 87 0.492 9.623 -5.006 1.00 0.00 C ATOM 870 OG SER A 87 -0.219 9.826 -6.209 1.00 0.00 O ATOM 0 H SER A 87 0.845 9.580 -2.559 1.00 0.00 H new ATOM 0 HA SER A 87 -1.386 9.069 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.708 10.580 -4.531 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.450 9.146 -5.211 1.00 0.00 H new ATOM 0 HG SER A 87 0.311 10.388 -6.811 1.00 0.00 H new ATOM 876 N LEU A 88 0.877 6.637 -4.382 1.00 0.00 N ATOM 877 CA LEU A 88 1.062 5.222 -4.713 1.00 0.00 C ATOM 878 C LEU A 88 0.008 4.345 -4.028 1.00 0.00 C ATOM 879 O LEU A 88 -0.782 3.704 -4.722 1.00 0.00 O ATOM 880 CB LEU A 88 2.493 4.771 -4.357 1.00 0.00 C ATOM 881 CG LEU A 88 3.530 5.096 -5.449 1.00 0.00 C ATOM 882 CD1 LEU A 88 4.937 4.817 -4.909 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.309 4.272 -6.732 1.00 0.00 C ATOM 0 H LEU A 88 1.724 7.090 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 88 0.926 5.102 -5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.795 5.250 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.492 3.696 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 88 3.415 6.148 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.674 5.046 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.121 5.440 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.018 3.766 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.065 4.538 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.386 3.210 -6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.319 4.484 -7.135 1.00 0.00 H new ATOM 895 N PHE A 89 -0.032 4.339 -2.689 1.00 0.00 N ATOM 896 CA PHE A 89 -0.984 3.548 -1.909 1.00 0.00 C ATOM 897 C PHE A 89 -2.425 3.769 -2.376 1.00 0.00 C ATOM 898 O PHE A 89 -3.107 2.788 -2.650 1.00 0.00 O ATOM 899 CB PHE A 89 -0.832 3.821 -0.402 1.00 0.00 C ATOM 900 CG PHE A 89 0.261 3.012 0.279 1.00 0.00 C ATOM 901 CD1 PHE A 89 0.159 1.609 0.338 1.00 0.00 C ATOM 902 CD2 PHE A 89 1.358 3.650 0.890 1.00 0.00 C ATOM 903 CE1 PHE A 89 1.156 0.851 0.977 1.00 0.00 C ATOM 904 CE2 PHE A 89 2.359 2.894 1.526 1.00 0.00 C ATOM 905 CZ PHE A 89 2.260 1.493 1.566 1.00 0.00 C ATOM 0 H PHE A 89 0.604 4.891 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.750 2.497 -2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.625 4.881 -0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.782 3.611 0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.689 1.113 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.431 4.727 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.074 -0.225 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.203 3.390 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.031 0.910 2.048 1.00 0.00 H new ATOM 915 N LEU A 90 -2.872 5.021 -2.526 1.00 0.00 N ATOM 916 CA LEU A 90 -4.210 5.368 -3.025 1.00 0.00 C ATOM 917 C LEU A 90 -4.564 4.633 -4.326 1.00 0.00 C ATOM 918 O LEU A 90 -5.565 3.912 -4.376 1.00 0.00 O ATOM 919 CB LEU A 90 -4.286 6.888 -3.242 1.00 0.00 C ATOM 920 CG LEU A 90 -4.942 7.700 -2.119 1.00 0.00 C ATOM 921 CD1 LEU A 90 -4.516 7.325 -0.696 1.00 0.00 C ATOM 922 CD2 LEU A 90 -4.639 9.177 -2.381 1.00 0.00 C ATOM 0 H LEU A 90 -2.304 5.838 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.937 5.052 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.274 7.264 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.834 7.075 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.008 7.475 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.039 7.960 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.765 6.281 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.441 7.467 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.092 9.786 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.560 9.332 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.049 9.466 -3.349 1.00 0.00 H new ATOM 934 N ILE A 91 -3.757 4.818 -5.379 1.00 0.00 N ATOM 935 CA ILE A 91 -4.002 4.176 -6.677 1.00 0.00 C ATOM 936 C ILE A 91 -3.948 2.650 -6.549 1.00 0.00 C ATOM 937 O ILE A 91 -4.845 1.965 -7.052 1.00 0.00 O ATOM 938 CB ILE A 91 -3.011 4.683 -7.745 1.00 0.00 C ATOM 939 CG1 ILE A 91 -3.229 6.188 -8.054 1.00 0.00 C ATOM 940 CG2 ILE A 91 -3.168 3.876 -9.050 1.00 0.00 C ATOM 941 CD1 ILE A 91 -1.980 7.064 -7.874 1.00 0.00 C ATOM 0 H ILE A 91 -2.926 5.409 -5.357 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.005 4.449 -7.004 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.006 4.549 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.582 6.287 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.020 6.568 -7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.462 4.246 -9.794 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.969 2.823 -8.853 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.184 3.988 -9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.224 8.099 -8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.636 7.000 -6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.192 6.715 -8.541 1.00 0.00 H new ATOM 953 N ILE A 92 -2.919 2.122 -5.871 1.00 0.00 N ATOM 954 CA ILE A 92 -2.743 0.683 -5.638 1.00 0.00 C ATOM 955 C ILE A 92 -3.994 0.102 -4.967 1.00 0.00 C ATOM 956 O ILE A 92 -4.500 -0.924 -5.423 1.00 0.00 O ATOM 957 CB ILE A 92 -1.460 0.410 -4.819 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.189 0.820 -5.601 1.00 0.00 C ATOM 959 CG2 ILE A 92 -1.350 -1.077 -4.434 1.00 0.00 C ATOM 960 CD1 ILE A 92 1.020 1.062 -4.686 1.00 0.00 C ATOM 0 H ILE A 92 -2.176 2.691 -5.464 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.618 0.179 -6.597 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.533 1.014 -3.915 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.057 0.040 -6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.395 1.726 -6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.438 -1.237 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.213 -1.362 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.321 -1.686 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.882 1.347 -5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.790 1.862 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.248 0.149 -4.135 1.00 0.00 H new ATOM 972 N LEU A 93 -4.524 0.780 -3.939 1.00 0.00 N ATOM 973 CA LEU A 93 -5.778 0.435 -3.277 1.00 0.00 C ATOM 974 C LEU A 93 -6.953 0.431 -4.252 1.00 0.00 C ATOM 975 O LEU A 93 -7.631 -0.587 -4.352 1.00 0.00 O ATOM 976 CB LEU A 93 -6.076 1.394 -2.108 1.00 0.00 C ATOM 977 CG LEU A 93 -5.676 0.826 -0.737 1.00 0.00 C ATOM 978 CD1 LEU A 93 -4.199 1.038 -0.401 1.00 0.00 C ATOM 979 CD2 LEU A 93 -6.513 1.528 0.325 1.00 0.00 C ATOM 0 H LEU A 93 -4.076 1.604 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.656 -0.574 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.546 2.332 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.141 1.626 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.849 -0.250 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.984 0.613 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.581 0.547 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.978 2.105 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.249 1.143 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.320 2.600 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.570 1.344 0.135 1.00 0.00 H new ATOM 991 N HIS A 94 -7.215 1.543 -4.952 1.00 0.00 N ATOM 992 CA HIS A 94 -8.358 1.636 -5.864 1.00 0.00 C ATOM 993 C HIS A 94 -8.319 0.526 -6.927 1.00 0.00 C ATOM 994 O HIS A 94 -9.317 -0.164 -7.142 1.00 0.00 O ATOM 995 CB HIS A 94 -8.401 3.034 -6.502 1.00 0.00 C ATOM 996 CG HIS A 94 -9.723 3.418 -7.134 1.00 0.00 C ATOM 997 ND1 HIS A 94 -9.977 4.624 -7.749 1.00 0.00 N ATOM 998 CD2 HIS A 94 -10.888 2.692 -7.163 1.00 0.00 C ATOM 999 CE1 HIS A 94 -11.263 4.622 -8.142 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -11.855 3.466 -7.810 1.00 0.00 N ATOM 0 H HIS A 94 -6.649 2.390 -4.903 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.275 1.490 -5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.155 3.771 -5.738 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.623 3.092 -7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.031 1.701 -6.758 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.751 5.438 -8.654 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.823 3.203 -7.994 1.00 0.00 H new ATOM 1008 N SER A 95 -7.146 0.317 -7.541 1.00 0.00 N ATOM 1009 CA SER A 95 -6.901 -0.746 -8.513 1.00 0.00 C ATOM 1010 C SER A 95 -7.134 -2.135 -7.904 1.00 0.00 C ATOM 1011 O SER A 95 -7.917 -2.909 -8.453 1.00 0.00 O ATOM 1012 CB SER A 95 -5.478 -0.601 -9.069 1.00 0.00 C ATOM 1013 OG SER A 95 -5.295 -1.399 -10.220 1.00 0.00 O ATOM 0 H SER A 95 -6.326 0.898 -7.368 1.00 0.00 H new ATOM 0 HA SER A 95 -7.613 -0.649 -9.333 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.285 0.444 -9.313 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.755 -0.889 -8.305 1.00 0.00 H new ATOM 0 HG SER A 95 -4.381 -1.286 -10.554 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.514 -2.437 -6.752 1.00 0.00 N ATOM 1020 CA ALA A 96 -6.688 -3.698 -6.031 1.00 0.00 C ATOM 1021 C ALA A 96 -8.150 -3.965 -5.641 1.00 0.00 C ATOM 1022 O ALA A 96 -8.625 -5.085 -5.824 1.00 0.00 O ATOM 1023 CB ALA A 96 -5.782 -3.701 -4.794 1.00 0.00 C ATOM 0 H ALA A 96 -5.867 -1.797 -6.291 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.403 -4.509 -6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.908 -4.639 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.742 -3.598 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.051 -2.868 -4.144 1.00 0.00 H new ATOM 1029 N LEU A 97 -8.862 -2.956 -5.123 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.281 -3.030 -4.774 1.00 0.00 C ATOM 1031 C LEU A 97 -11.125 -3.442 -5.983 1.00 0.00 C ATOM 1032 O LEU A 97 -11.821 -4.460 -5.924 1.00 0.00 O ATOM 1033 CB LEU A 97 -10.765 -1.675 -4.223 1.00 0.00 C ATOM 1034 CG LEU A 97 -10.393 -1.393 -2.757 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -10.841 0.028 -2.402 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -11.050 -2.406 -1.809 1.00 0.00 C ATOM 0 H LEU A 97 -8.453 -2.042 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.401 -3.790 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.353 -0.880 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.849 -1.627 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.313 -1.488 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.584 0.242 -1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.339 0.742 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.920 0.113 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.767 -2.179 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.134 -2.347 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.716 -3.412 -2.063 1.00 0.00 H new ATOM 1048 N TYR A 98 -11.047 -2.666 -7.074 1.00 0.00 N ATOM 1049 CA TYR A 98 -11.790 -2.947 -8.301 1.00 0.00 C ATOM 1050 C TYR A 98 -11.407 -4.319 -8.873 1.00 0.00 C ATOM 1051 O TYR A 98 -12.285 -5.117 -9.182 1.00 0.00 O ATOM 1052 CB TYR A 98 -11.587 -1.821 -9.330 1.00 0.00 C ATOM 1053 CG TYR A 98 -12.880 -1.304 -9.936 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -13.517 -2.029 -10.960 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -13.440 -0.092 -9.484 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -14.699 -1.538 -11.549 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -14.620 0.407 -10.070 1.00 0.00 C ATOM 1058 CZ TYR A 98 -15.247 -0.311 -11.115 1.00 0.00 C ATOM 1059 OH TYR A 98 -16.363 0.179 -11.724 1.00 0.00 O ATOM 0 H TYR A 98 -10.467 -1.829 -7.126 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.852 -2.983 -8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.065 -0.993 -8.850 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.942 -2.184 -10.130 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.098 -2.966 -11.296 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -12.963 0.456 -8.685 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.186 -2.100 -12.332 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -15.045 1.337 -9.722 1.00 0.00 H new ATOM 0 HH TYR A 98 -16.615 1.030 -11.309 1.00 0.00 H new ATOM 1069 N PHE A 99 -10.106 -4.633 -8.955 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.609 -5.929 -9.416 1.00 0.00 C ATOM 1071 C PHE A 99 -10.208 -7.099 -8.628 1.00 0.00 C ATOM 1072 O PHE A 99 -10.783 -8.003 -9.232 1.00 0.00 O ATOM 1073 CB PHE A 99 -8.078 -5.955 -9.346 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.494 -7.315 -9.675 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -7.576 -7.817 -10.987 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -6.924 -8.106 -8.657 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -7.085 -9.100 -11.285 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -6.426 -9.385 -8.957 1.00 0.00 C ATOM 1079 CZ PHE A 99 -6.508 -9.882 -10.269 1.00 0.00 C ATOM 0 H PHE A 99 -9.363 -3.983 -8.699 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.926 -6.054 -10.451 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.675 -5.215 -10.038 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.760 -5.661 -8.346 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.017 -7.215 -11.767 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.870 -7.729 -7.646 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.151 -9.484 -12.292 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.980 -9.987 -8.179 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.127 -10.866 -10.497 1.00 0.00 H new ATOM 1089 N LYS A 100 -10.105 -7.084 -7.290 1.00 0.00 N ATOM 1090 CA LYS A 100 -10.690 -8.120 -6.430 1.00 0.00 C ATOM 1091 C LYS A 100 -12.198 -8.230 -6.641 1.00 0.00 C ATOM 1092 O LYS A 100 -12.705 -9.340 -6.789 1.00 0.00 O ATOM 1093 CB LYS A 100 -10.360 -7.847 -4.959 1.00 0.00 C ATOM 1094 CG LYS A 100 -8.865 -8.033 -4.649 1.00 0.00 C ATOM 1095 CD LYS A 100 -8.524 -7.374 -3.308 1.00 0.00 C ATOM 1096 CE LYS A 100 -7.009 -7.325 -3.096 1.00 0.00 C ATOM 1097 NZ LYS A 100 -6.664 -6.570 -1.866 1.00 0.00 N ATOM 0 H LYS A 100 -9.614 -6.353 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.249 -9.077 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.657 -6.829 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.945 -8.516 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.621 -9.095 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.262 -7.593 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.932 -6.364 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.992 -7.930 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.616 -8.339 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.533 -6.858 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.631 -6.553 -1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.020 -5.596 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.099 -7.031 -1.042 1.00 0.00 H new ATOM 1111 N TYR A 101 -12.905 -7.098 -6.711 1.00 0.00 N ATOM 1112 CA TYR A 101 -14.343 -7.073 -6.978 1.00 0.00 C ATOM 1113 C TYR A 101 -14.697 -7.703 -8.338 1.00 0.00 C ATOM 1114 O TYR A 101 -15.648 -8.479 -8.428 1.00 0.00 O ATOM 1115 CB TYR A 101 -14.846 -5.628 -6.852 1.00 0.00 C ATOM 1116 CG TYR A 101 -16.355 -5.519 -6.811 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -17.091 -5.426 -8.009 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -17.022 -5.541 -5.571 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -18.497 -5.380 -7.970 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -18.427 -5.476 -5.527 1.00 0.00 C ATOM 1121 CZ TYR A 101 -19.168 -5.409 -6.726 1.00 0.00 C ATOM 1122 OH TYR A 101 -20.528 -5.406 -6.681 1.00 0.00 O ATOM 0 H TYR A 101 -12.494 -6.173 -6.584 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.852 -7.690 -6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -14.432 -5.185 -5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -14.470 -5.045 -7.693 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -16.576 -5.390 -8.958 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -16.455 -5.608 -4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.062 -5.323 -8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -18.938 -5.477 -4.576 1.00 0.00 H new ATOM 0 HH TYR A 101 -20.824 -5.430 -5.747 1.00 0.00 H new ATOM 1132 N LEU A 102 -13.901 -7.426 -9.381 1.00 0.00 N ATOM 1133 CA LEU A 102 -14.050 -8.019 -10.711 1.00 0.00 C ATOM 1134 C LEU A 102 -13.722 -9.519 -10.725 1.00 0.00 C ATOM 1135 O LEU A 102 -14.491 -10.292 -11.295 1.00 0.00 O ATOM 1136 CB LEU A 102 -13.187 -7.250 -11.732 1.00 0.00 C ATOM 1137 CG LEU A 102 -13.693 -5.831 -12.064 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -12.730 -5.173 -13.059 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -15.107 -5.834 -12.651 1.00 0.00 C ATOM 0 H LEU A 102 -13.122 -6.771 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 102 -15.099 -7.931 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.170 -7.177 -11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.138 -7.829 -12.654 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.730 -5.269 -11.131 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.083 -4.170 -13.297 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.735 -5.113 -12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.686 -5.768 -13.971 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -15.414 -4.810 -12.866 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.117 -6.417 -13.572 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.798 -6.276 -11.933 1.00 0.00 H new ATOM 1151 N LEU A 103 -12.617 -9.942 -10.089 1.00 0.00 N ATOM 1152 CA LEU A 103 -12.225 -11.354 -10.003 1.00 0.00 C ATOM 1153 C LEU A 103 -13.203 -12.172 -9.130 1.00 0.00 C ATOM 1154 O LEU A 103 -13.388 -13.361 -9.377 1.00 0.00 O ATOM 1155 CB LEU A 103 -10.734 -11.484 -9.594 1.00 0.00 C ATOM 1156 CG LEU A 103 -10.460 -11.894 -8.130 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -10.492 -13.422 -7.943 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -9.104 -11.373 -7.644 1.00 0.00 C ATOM 0 H LEU A 103 -11.969 -9.310 -9.619 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.303 -11.803 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.262 -12.217 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.244 -10.528 -9.779 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.258 -11.445 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.294 -13.665 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.474 -13.803 -8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.730 -13.882 -8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.945 -11.680 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.311 -11.782 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.089 -10.285 -7.705 1.00 0.00 H new ATOM 1170 N SER A 104 -13.857 -11.545 -8.142 1.00 0.00 N ATOM 1171 CA SER A 104 -14.784 -12.195 -7.208 1.00 0.00 C ATOM 1172 C SER A 104 -15.974 -12.845 -7.921 1.00 0.00 C ATOM 1173 O SER A 104 -16.178 -14.044 -7.796 1.00 0.00 O ATOM 1174 CB SER A 104 -15.272 -11.185 -6.164 1.00 0.00 C ATOM 1175 OG SER A 104 -16.093 -11.824 -5.206 1.00 0.00 O ATOM 0 H SER A 104 -13.752 -10.546 -7.967 1.00 0.00 H new ATOM 0 HA SER A 104 -14.236 -12.996 -6.711 1.00 0.00 H new ATOM 0 HB2 SER A 104 -14.418 -10.722 -5.670 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.828 -10.386 -6.654 1.00 0.00 H new ATOM 0 HG SER A 104 -16.396 -11.167 -4.545 1.00 0.00 H new ATOM 1181 N ASN A 105 -16.752 -12.075 -8.693 1.00 0.00 N ATOM 1182 CA ASN A 105 -17.894 -12.595 -9.463 1.00 0.00 C ATOM 1183 C ASN A 105 -17.465 -13.388 -10.721 1.00 0.00 C ATOM 1184 O ASN A 105 -18.301 -13.953 -11.427 1.00 0.00 O ATOM 1185 CB ASN A 105 -18.803 -11.405 -9.832 1.00 0.00 C ATOM 1186 CG ASN A 105 -20.284 -11.751 -9.984 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -20.773 -12.810 -9.624 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -21.068 -10.815 -10.479 1.00 0.00 N ATOM 0 H ASN A 105 -16.608 -11.071 -8.803 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.436 -13.311 -8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.701 -10.637 -9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.448 -10.971 -10.767 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -22.072 -10.979 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.671 -9.926 -10.783 1.00 0.00 H new ATOM 1195 N TYR A 106 -16.163 -13.400 -11.029 1.00 0.00 N ATOM 1196 CA TYR A 106 -15.539 -14.236 -12.054 1.00 0.00 C ATOM 1197 C TYR A 106 -15.516 -15.722 -11.633 1.00 0.00 C ATOM 1198 O TYR A 106 -16.087 -16.116 -10.612 1.00 0.00 O ATOM 1199 CB TYR A 106 -14.129 -13.686 -12.355 1.00 0.00 C ATOM 1200 CG TYR A 106 -13.918 -13.189 -13.766 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -14.557 -12.002 -14.172 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -13.047 -13.858 -14.649 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -14.344 -11.490 -15.464 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -12.830 -13.350 -15.945 1.00 0.00 C ATOM 1205 CZ TYR A 106 -13.484 -12.166 -16.356 1.00 0.00 C ATOM 1206 OH TYR A 106 -13.282 -11.666 -17.606 1.00 0.00 O ATOM 0 H TYR A 106 -15.490 -12.802 -10.550 1.00 0.00 H new ATOM 0 HA TYR A 106 -16.129 -14.196 -12.969 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -13.921 -12.869 -11.664 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -13.400 -14.470 -12.151 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -15.213 -11.483 -13.489 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -12.546 -14.761 -14.332 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -14.838 -10.581 -15.774 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.165 -13.864 -16.623 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.663 -12.248 -18.095 1.00 0.00 H new ATOM 1216 N SER A 107 -14.858 -16.560 -12.446 1.00 0.00 N ATOM 1217 CA SER A 107 -14.743 -18.013 -12.262 1.00 0.00 C ATOM 1218 C SER A 107 -14.294 -18.419 -10.847 1.00 0.00 C ATOM 1219 O SER A 107 -13.104 -18.497 -10.540 1.00 0.00 O ATOM 1220 CB SER A 107 -13.804 -18.610 -13.316 1.00 0.00 C ATOM 1221 OG SER A 107 -13.917 -20.018 -13.320 1.00 0.00 O ATOM 0 H SER A 107 -14.373 -16.232 -13.281 1.00 0.00 H new ATOM 0 HA SER A 107 -15.746 -18.420 -12.391 1.00 0.00 H new ATOM 0 HB2 SER A 107 -14.051 -18.214 -14.301 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.775 -18.320 -13.105 1.00 0.00 H new ATOM 0 HG SER A 107 -13.315 -20.393 -13.997 1.00 0.00 H new ATOM 1227 N SER A 108 -15.271 -18.706 -9.982 1.00 0.00 N ATOM 1228 CA SER A 108 -15.064 -19.071 -8.574 1.00 0.00 C ATOM 1229 C SER A 108 -15.127 -20.587 -8.342 1.00 0.00 C ATOM 1230 O SER A 108 -15.127 -21.041 -7.198 1.00 0.00 O ATOM 1231 CB SER A 108 -16.094 -18.358 -7.695 1.00 0.00 C ATOM 1232 OG SER A 108 -16.004 -16.961 -7.863 1.00 0.00 O ATOM 0 H SER A 108 -16.256 -18.691 -10.247 1.00 0.00 H new ATOM 0 HA SER A 108 -14.059 -18.750 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 108 -17.097 -18.697 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 108 -15.929 -18.616 -6.649 1.00 0.00 H new ATOM 0 HG SER A 108 -16.164 -16.734 -8.803 1.00 0.00 H new ATOM 1238 N VAL A 109 -15.212 -21.360 -9.430 1.00 0.00 N ATOM 1239 CA VAL A 109 -15.354 -22.816 -9.465 1.00 0.00 C ATOM 1240 C VAL A 109 -14.993 -23.330 -10.867 1.00 0.00 C ATOM 1241 O VAL A 109 -15.502 -22.823 -11.868 1.00 0.00 O ATOM 1242 CB VAL A 109 -16.777 -23.229 -9.023 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -17.922 -22.543 -9.797 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -16.944 -24.752 -9.037 1.00 0.00 C ATOM 0 H VAL A 109 -15.181 -20.959 -10.367 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.664 -23.277 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.866 -22.866 -7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -18.881 -22.896 -9.417 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.854 -21.463 -9.665 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -17.841 -22.785 -10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -17.955 -25.010 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -16.772 -25.128 -10.046 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.224 -25.203 -8.354 1.00 0.00 H new ATOM 1254 N THR A 110 -14.054 -24.284 -10.921 1.00 0.00 N ATOM 1255 CA THR A 110 -13.616 -24.992 -12.138 1.00 0.00 C ATOM 1256 C THR A 110 -14.672 -25.962 -12.683 1.00 0.00 C ATOM 1257 O THR A 110 -14.716 -26.075 -13.929 1.00 0.00 O ATOM 1258 CB THR A 110 -12.275 -25.699 -11.881 1.00 0.00 C ATOM 1259 OG1 THR A 110 -11.741 -26.175 -13.093 1.00 0.00 O ATOM 1260 CG2 THR A 110 -12.346 -26.847 -10.867 1.00 0.00 C ATOM 0 H THR A 110 -13.557 -24.598 -10.087 1.00 0.00 H new ATOM 0 HA THR A 110 -13.477 -24.243 -12.918 1.00 0.00 H new ATOM 0 HB THR A 110 -11.626 -24.943 -11.439 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.886 -26.623 -12.921 1.00 0.00 H new ATOM 0 HG21 THR A 110 -11.357 -27.288 -10.747 1.00 0.00 H new ATOM 0 HG22 THR A 110 -12.691 -26.464 -9.907 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.041 -27.606 -11.225 1.00 0.00 H new TER 1268 THR A 110