USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 668 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 9 ASN : amide:sc= -2.32! C(o=-3.2!,f=-6.3!) USER MOD Set 1.2: A 36 CYS SG : rot 27:sc= -0.838 USER MOD Single : A 1 GLY N :NH3+ 176:sc= 0 (180deg=-0.0298) USER MOD Single : A 2 SER OG : rot 180:sc= -0.131 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -165:sc= -2.08 (180deg=-2.83) USER MOD Single : A 13 SER OG : rot -56:sc= 0.641 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -24:sc= 1.1 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.245) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 100:sc= -0.161 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.3) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 91:sc= 0.0411 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc=-0.000745 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.636 -25.259 -3.403 1.00 0.00 N ATOM 2 CA GLY A 1 7.790 -24.852 -4.557 1.00 0.00 C ATOM 3 C GLY A 1 6.322 -24.752 -4.194 1.00 0.00 C ATOM 4 O GLY A 1 5.454 -25.155 -4.969 1.00 0.00 O ATOM 0 H1 GLY A 1 9.620 -25.379 -3.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.595 -24.525 -2.667 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.285 -26.158 -3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.134 -23.889 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.913 -25.573 -5.365 1.00 0.00 H new ATOM 10 N SER A 2 6.043 -24.213 -3.011 1.00 0.00 N ATOM 11 CA SER A 2 4.670 -24.061 -2.546 1.00 0.00 C ATOM 12 C SER A 2 4.527 -22.822 -1.668 1.00 0.00 C ATOM 13 O SER A 2 3.705 -22.789 -0.752 1.00 0.00 O ATOM 14 CB SER A 2 4.231 -25.303 -1.768 1.00 0.00 C ATOM 15 OG SER A 2 4.814 -26.476 -2.310 1.00 0.00 O ATOM 0 H SER A 2 6.750 -23.875 -2.358 1.00 0.00 H new ATOM 0 HA SER A 2 4.029 -23.942 -3.420 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.518 -25.201 -0.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.145 -25.387 -1.794 1.00 0.00 H new ATOM 0 HG SER A 2 4.519 -27.256 -1.795 1.00 0.00 H new ATOM 21 N SER A 3 5.330 -21.803 -1.957 1.00 0.00 N ATOM 22 CA SER A 3 5.294 -20.561 -1.194 1.00 0.00 C ATOM 23 C SER A 3 5.619 -20.813 0.274 1.00 0.00 C ATOM 24 O SER A 3 5.876 -21.947 0.677 1.00 0.00 O ATOM 25 CB SER A 3 3.918 -19.902 -1.318 1.00 0.00 C ATOM 26 OG SER A 3 4.034 -18.493 -1.421 1.00 0.00 O ATOM 0 H SER A 3 6.013 -21.813 -2.714 1.00 0.00 H new ATOM 0 HA SER A 3 6.049 -19.891 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.402 -20.293 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.310 -20.157 -0.450 1.00 0.00 H new ATOM 0 HG SER A 3 3.141 -18.096 -1.501 1.00 0.00 H new ATOM 32 N GLY A 4 5.606 -19.748 1.069 1.00 0.00 N ATOM 33 CA GLY A 4 5.901 -19.877 2.485 1.00 0.00 C ATOM 34 C GLY A 4 5.341 -18.728 3.300 1.00 0.00 C ATOM 35 O GLY A 4 5.645 -17.565 3.038 1.00 0.00 O ATOM 0 H GLY A 4 5.397 -18.799 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.489 -20.816 2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.981 -19.926 2.625 1.00 0.00 H new ATOM 39 N SER A 5 4.521 -19.056 4.294 1.00 0.00 N ATOM 40 CA SER A 5 3.918 -18.044 5.152 1.00 0.00 C ATOM 41 C SER A 5 4.055 -18.425 6.623 1.00 0.00 C ATOM 42 O SER A 5 4.515 -19.518 6.950 1.00 0.00 O ATOM 43 CB SER A 5 2.441 -17.858 4.797 1.00 0.00 C ATOM 44 OG SER A 5 2.284 -16.933 3.735 1.00 0.00 O ATOM 0 H SER A 5 4.260 -20.015 4.524 1.00 0.00 H new ATOM 0 HA SER A 5 4.445 -17.104 4.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.008 -18.818 4.514 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.895 -17.507 5.673 1.00 0.00 H new ATOM 0 HG SER A 5 1.332 -16.833 3.526 1.00 0.00 H new ATOM 50 N SER A 6 3.651 -17.516 7.504 1.00 0.00 N ATOM 51 CA SER A 6 3.730 -17.758 8.940 1.00 0.00 C ATOM 52 C SER A 6 2.991 -16.671 9.715 1.00 0.00 C ATOM 53 O SER A 6 1.976 -16.935 10.360 1.00 0.00 O ATOM 54 CB SER A 6 5.190 -17.818 9.390 1.00 0.00 C ATOM 55 OG SER A 6 5.375 -18.799 10.396 1.00 0.00 O ATOM 0 H SER A 6 3.266 -16.606 7.249 1.00 0.00 H new ATOM 0 HA SER A 6 3.254 -18.716 9.148 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.828 -18.044 8.536 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.497 -16.843 9.768 1.00 0.00 H new ATOM 0 HG SER A 6 6.317 -18.818 10.665 1.00 0.00 H new ATOM 61 N GLY A 7 3.508 -15.449 9.648 1.00 0.00 N ATOM 62 CA GLY A 7 2.886 -14.341 10.348 1.00 0.00 C ATOM 63 C GLY A 7 1.943 -13.552 9.461 1.00 0.00 C ATOM 64 O GLY A 7 0.726 -13.709 9.543 1.00 0.00 O ATOM 0 H GLY A 7 4.347 -15.206 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.337 -14.721 11.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.660 -13.677 10.732 1.00 0.00 H new ATOM 68 N GLY A 8 2.508 -12.700 8.610 1.00 0.00 N ATOM 69 CA GLY A 8 1.695 -11.897 7.717 1.00 0.00 C ATOM 70 C GLY A 8 2.530 -11.027 6.797 1.00 0.00 C ATOM 71 O GLY A 8 2.195 -10.850 5.626 1.00 0.00 O ATOM 0 H GLY A 8 3.514 -12.552 8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.063 -12.553 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.030 -11.265 8.306 1.00 0.00 H new ATOM 75 N ASN A 9 3.618 -10.482 7.330 1.00 0.00 N ATOM 76 CA ASN A 9 4.503 -9.625 6.550 1.00 0.00 C ATOM 77 C ASN A 9 5.252 -10.434 5.495 1.00 0.00 C ATOM 78 O ASN A 9 6.452 -10.681 5.623 1.00 0.00 O ATOM 79 CB ASN A 9 5.498 -8.913 7.469 1.00 0.00 C ATOM 80 CG ASN A 9 4.814 -7.985 8.452 1.00 0.00 C ATOM 81 OD1 ASN A 9 4.152 -7.024 8.059 1.00 0.00 O ATOM 82 ND2 ASN A 9 4.972 -8.267 9.740 1.00 0.00 N ATOM 0 H ASN A 9 3.908 -10.618 8.298 1.00 0.00 H new ATOM 0 HA ASN A 9 3.892 -8.879 6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.077 -9.656 8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.203 -8.342 6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.536 -7.677 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.529 -9.074 10.021 1.00 0.00 H new ATOM 89 N LEU A 10 4.537 -10.843 4.452 1.00 0.00 N ATOM 90 CA LEU A 10 5.134 -11.624 3.375 1.00 0.00 C ATOM 91 C LEU A 10 5.966 -10.736 2.456 1.00 0.00 C ATOM 92 O LEU A 10 7.155 -10.981 2.247 1.00 0.00 O ATOM 93 CB LEU A 10 4.046 -12.336 2.569 1.00 0.00 C ATOM 94 CG LEU A 10 4.421 -13.730 2.065 1.00 0.00 C ATOM 95 CD1 LEU A 10 5.513 -13.639 1.011 1.00 0.00 C ATOM 96 CD2 LEU A 10 4.865 -14.613 3.222 1.00 0.00 C ATOM 0 H LEU A 10 3.544 -10.647 4.330 1.00 0.00 H new ATOM 0 HA LEU A 10 5.791 -12.370 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.152 -12.418 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.785 -11.715 1.712 1.00 0.00 H new ATOM 0 HG LEU A 10 3.540 -14.181 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.768 -14.640 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.159 -13.042 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.397 -13.169 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.128 -15.601 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.733 -14.167 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.052 -14.704 3.943 1.00 0.00 H new ATOM 108 N MET A 11 5.333 -9.703 1.908 1.00 0.00 N ATOM 109 CA MET A 11 6.016 -8.778 1.011 1.00 0.00 C ATOM 110 C MET A 11 6.830 -7.758 1.800 1.00 0.00 C ATOM 111 O MET A 11 7.908 -7.345 1.371 1.00 0.00 O ATOM 112 CB MET A 11 5.002 -8.058 0.119 1.00 0.00 C ATOM 113 CG MET A 11 4.613 -8.848 -1.119 1.00 0.00 C ATOM 114 SD MET A 11 2.866 -8.675 -1.535 1.00 0.00 S ATOM 115 CE MET A 11 2.163 -10.048 -0.623 1.00 0.00 C ATOM 0 H MET A 11 4.350 -9.486 2.069 1.00 0.00 H new ATOM 0 HA MET A 11 6.697 -9.354 0.384 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.105 -7.845 0.701 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.418 -7.098 -0.188 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.218 -8.515 -1.962 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.842 -9.902 -0.959 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.151 -10.241 -0.979 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.777 -10.936 -0.773 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.133 -9.802 0.439 1.00 0.00 H new ATOM 125 N LEU A 12 6.310 -7.358 2.954 1.00 0.00 N ATOM 126 CA LEU A 12 6.989 -6.387 3.805 1.00 0.00 C ATOM 127 C LEU A 12 8.348 -6.914 4.254 1.00 0.00 C ATOM 128 O LEU A 12 9.317 -6.162 4.347 1.00 0.00 O ATOM 129 CB LEU A 12 6.129 -6.055 5.026 1.00 0.00 C ATOM 130 CG LEU A 12 4.927 -5.152 4.745 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.186 -4.834 6.034 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.374 -3.872 4.055 1.00 0.00 C ATOM 0 H LEU A 12 5.419 -7.691 3.323 1.00 0.00 H new ATOM 0 HA LEU A 12 7.145 -5.479 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.770 -6.987 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.758 -5.574 5.775 1.00 0.00 H new ATOM 0 HG LEU A 12 4.245 -5.682 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.334 -4.191 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.834 -5.760 6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.858 -4.323 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.507 -3.241 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.076 -3.339 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.861 -4.118 3.111 1.00 0.00 H new ATOM 144 N SER A 13 8.410 -8.213 4.531 1.00 0.00 N ATOM 145 CA SER A 13 9.650 -8.842 4.970 1.00 0.00 C ATOM 146 C SER A 13 10.730 -8.723 3.900 1.00 0.00 C ATOM 147 O SER A 13 11.894 -8.461 4.206 1.00 0.00 O ATOM 148 CB SER A 13 9.408 -10.315 5.305 1.00 0.00 C ATOM 149 OG SER A 13 8.916 -11.020 4.178 1.00 0.00 O ATOM 0 H SER A 13 7.616 -8.850 4.459 1.00 0.00 H new ATOM 0 HA SER A 13 9.993 -8.324 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.337 -10.771 5.646 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.695 -10.392 6.126 1.00 0.00 H new ATOM 0 HG SER A 13 8.102 -10.584 3.849 1.00 0.00 H new ATOM 155 N ALA A 14 10.337 -8.916 2.646 1.00 0.00 N ATOM 156 CA ALA A 14 11.272 -8.830 1.530 1.00 0.00 C ATOM 157 C ALA A 14 11.598 -7.377 1.199 1.00 0.00 C ATOM 158 O ALA A 14 12.742 -7.043 0.888 1.00 0.00 O ATOM 159 CB ALA A 14 10.704 -9.537 0.310 1.00 0.00 C ATOM 0 H ALA A 14 9.377 -9.133 2.377 1.00 0.00 H new ATOM 0 HA ALA A 14 12.198 -9.325 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 14 11.413 -9.465 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.528 -10.586 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.763 -9.067 0.023 1.00 0.00 H new ATOM 165 N LEU A 15 10.586 -6.519 1.265 1.00 0.00 N ATOM 166 CA LEU A 15 10.766 -5.101 0.972 1.00 0.00 C ATOM 167 C LEU A 15 11.622 -4.429 2.040 1.00 0.00 C ATOM 168 O LEU A 15 12.643 -3.813 1.734 1.00 0.00 O ATOM 169 CB LEU A 15 9.408 -4.403 0.875 1.00 0.00 C ATOM 170 CG LEU A 15 8.539 -4.837 -0.306 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.079 -4.499 -0.047 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.022 -4.181 -1.591 1.00 0.00 C ATOM 0 H LEU A 15 9.633 -6.780 1.519 1.00 0.00 H new ATOM 0 HA LEU A 15 11.280 -5.015 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.857 -4.584 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.573 -3.328 0.809 1.00 0.00 H new ATOM 0 HG LEU A 15 8.625 -5.918 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.476 -4.815 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.739 -5.016 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.974 -3.423 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.393 -4.501 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.966 -3.097 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.054 -4.475 -1.784 1.00 0.00 H new ATOM 184 N GLY A 16 11.198 -4.551 3.294 1.00 0.00 N ATOM 185 CA GLY A 16 11.937 -3.949 4.389 1.00 0.00 C ATOM 186 C GLY A 16 11.209 -2.770 5.000 1.00 0.00 C ATOM 187 O GLY A 16 11.837 -1.804 5.436 1.00 0.00 O ATOM 0 H GLY A 16 10.356 -5.056 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.116 -4.700 5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.913 -3.623 4.029 1.00 0.00 H new ATOM 191 N LEU A 17 9.884 -2.846 5.033 1.00 0.00 N ATOM 192 CA LEU A 17 9.069 -1.775 5.596 1.00 0.00 C ATOM 193 C LEU A 17 7.909 -2.342 6.408 1.00 0.00 C ATOM 194 O LEU A 17 7.559 -3.514 6.274 1.00 0.00 O ATOM 195 CB LEU A 17 8.534 -0.873 4.483 1.00 0.00 C ATOM 196 CG LEU A 17 8.422 0.608 4.846 1.00 0.00 C ATOM 197 CD1 LEU A 17 9.803 1.235 4.962 1.00 0.00 C ATOM 198 CD2 LEU A 17 7.583 1.347 3.814 1.00 0.00 C ATOM 0 H LEU A 17 9.350 -3.639 4.676 1.00 0.00 H new ATOM 0 HA LEU A 17 9.700 -1.185 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.185 -0.970 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.549 -1.234 4.186 1.00 0.00 H new ATOM 0 HG LEU A 17 7.927 0.690 5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.703 2.289 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.371 0.723 5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.325 1.143 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.514 2.400 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.050 1.257 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.583 0.914 3.780 1.00 0.00 H new ATOM 210 N ARG A 18 7.317 -1.502 7.251 1.00 0.00 N ATOM 211 CA ARG A 18 6.197 -1.919 8.085 1.00 0.00 C ATOM 212 C ARG A 18 4.904 -1.246 7.633 1.00 0.00 C ATOM 213 O ARG A 18 4.930 -0.266 6.888 1.00 0.00 O ATOM 214 CB ARG A 18 6.475 -1.587 9.554 1.00 0.00 C ATOM 215 CG ARG A 18 6.352 -2.785 10.481 1.00 0.00 C ATOM 216 CD ARG A 18 7.703 -3.435 10.736 1.00 0.00 C ATOM 217 NE ARG A 18 7.677 -4.313 11.903 1.00 0.00 N ATOM 218 CZ ARG A 18 8.629 -5.201 12.183 1.00 0.00 C ATOM 219 NH1 ARG A 18 9.681 -5.331 11.385 1.00 0.00 N ATOM 220 NH2 ARG A 18 8.528 -5.961 13.265 1.00 0.00 N ATOM 0 H ARG A 18 7.595 -0.528 7.374 1.00 0.00 H new ATOM 0 HA ARG A 18 6.080 -2.998 7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.479 -1.172 9.641 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.781 -0.812 9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.914 -2.470 11.428 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.672 -3.516 10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.001 -4.008 9.858 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.456 -2.661 10.882 1.00 0.00 H new ATOM 0 HE ARG A 18 6.884 -4.242 12.540 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.764 -4.749 10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.407 -6.013 11.605 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.722 -5.865 13.882 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.257 -6.641 13.480 1.00 0.00 H new ATOM 234 N LEU A 19 3.774 -1.779 8.088 1.00 0.00 N ATOM 235 CA LEU A 19 2.472 -1.229 7.730 1.00 0.00 C ATOM 236 C LEU A 19 2.294 0.170 8.311 1.00 0.00 C ATOM 237 O LEU A 19 2.871 0.501 9.347 1.00 0.00 O ATOM 238 CB LEU A 19 1.354 -2.146 8.228 1.00 0.00 C ATOM 239 CG LEU A 19 1.348 -3.550 7.620 1.00 0.00 C ATOM 240 CD1 LEU A 19 0.636 -4.528 8.541 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.692 -3.532 6.248 1.00 0.00 C ATOM 0 H LEU A 19 3.734 -2.590 8.705 1.00 0.00 H new ATOM 0 HA LEU A 19 2.420 -1.161 6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.434 -2.236 9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.395 -1.672 8.018 1.00 0.00 H new ATOM 0 HG LEU A 19 2.380 -3.880 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.642 -5.521 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.149 -4.562 9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.394 -4.203 8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.696 -4.538 5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.336 -3.182 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.245 -2.863 5.589 1.00 0.00 H new ATOM 253 N GLY A 20 1.493 0.987 7.636 1.00 0.00 N ATOM 254 CA GLY A 20 1.254 2.342 8.100 1.00 0.00 C ATOM 255 C GLY A 20 2.135 3.359 7.402 1.00 0.00 C ATOM 256 O GLY A 20 1.697 4.471 7.108 1.00 0.00 O ATOM 0 H GLY A 20 1.005 0.736 6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.208 2.599 7.936 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.430 2.391 9.175 1.00 0.00 H new ATOM 260 N ASP A 21 3.379 2.976 7.136 1.00 0.00 N ATOM 261 CA ASP A 21 4.326 3.864 6.468 1.00 0.00 C ATOM 262 C ASP A 21 3.814 4.262 5.087 1.00 0.00 C ATOM 263 O ASP A 21 3.075 3.513 4.447 1.00 0.00 O ATOM 264 CB ASP A 21 5.693 3.187 6.347 1.00 0.00 C ATOM 265 CG ASP A 21 6.743 3.844 7.221 1.00 0.00 C ATOM 266 OD1 ASP A 21 7.143 4.986 6.911 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.165 3.217 8.215 1.00 0.00 O ATOM 0 H ASP A 21 3.756 2.058 7.372 1.00 0.00 H new ATOM 0 HA ASP A 21 4.430 4.767 7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.601 2.136 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.019 3.217 5.307 1.00 0.00 H new ATOM 272 N ARG A 22 4.212 5.446 4.633 1.00 0.00 N ATOM 273 CA ARG A 22 3.795 5.944 3.328 1.00 0.00 C ATOM 274 C ARG A 22 4.737 5.454 2.233 1.00 0.00 C ATOM 275 O ARG A 22 5.909 5.176 2.486 1.00 0.00 O ATOM 276 CB ARG A 22 3.745 7.474 3.334 1.00 0.00 C ATOM 277 CG ARG A 22 2.333 8.037 3.357 1.00 0.00 C ATOM 278 CD ARG A 22 2.337 9.540 3.581 1.00 0.00 C ATOM 279 NE ARG A 22 2.916 9.900 4.873 1.00 0.00 N ATOM 280 CZ ARG A 22 2.272 9.784 6.032 1.00 0.00 C ATOM 281 NH1 ARG A 22 1.030 9.318 6.066 1.00 0.00 N ATOM 282 NH2 ARG A 22 2.873 10.134 7.161 1.00 0.00 N ATOM 0 H ARG A 22 4.823 6.078 5.150 1.00 0.00 H new ATOM 0 HA ARG A 22 2.797 5.558 3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.289 7.843 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.263 7.850 2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.834 7.810 2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.759 7.552 4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.901 10.024 2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.316 9.918 3.523 1.00 0.00 H new ATOM 0 HE ARG A 22 3.870 10.261 4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.563 9.046 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.542 9.232 6.957 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.828 10.492 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.380 10.045 8.050 1.00 0.00 H new ATOM 296 N VAL A 23 4.217 5.352 1.014 1.00 0.00 N ATOM 297 CA VAL A 23 5.012 4.896 -0.120 1.00 0.00 C ATOM 298 C VAL A 23 4.734 5.741 -1.359 1.00 0.00 C ATOM 299 O VAL A 23 3.855 6.602 -1.351 1.00 0.00 O ATOM 300 CB VAL A 23 4.730 3.419 -0.447 1.00 0.00 C ATOM 301 CG1 VAL A 23 5.317 2.513 0.625 1.00 0.00 C ATOM 302 CG2 VAL A 23 3.234 3.180 -0.596 1.00 0.00 C ATOM 0 H VAL A 23 3.249 5.579 0.786 1.00 0.00 H new ATOM 0 HA VAL A 23 6.059 5.003 0.164 1.00 0.00 H new ATOM 0 HB VAL A 23 5.209 3.179 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.108 1.473 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.395 2.663 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.869 2.753 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.055 2.130 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.730 3.438 0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.845 3.801 -1.403 1.00 0.00 H new ATOM 312 N LEU A 24 5.489 5.487 -2.423 1.00 0.00 N ATOM 313 CA LEU A 24 5.325 6.223 -3.671 1.00 0.00 C ATOM 314 C LEU A 24 4.798 5.313 -4.775 1.00 0.00 C ATOM 315 O LEU A 24 5.506 4.428 -5.255 1.00 0.00 O ATOM 316 CB LEU A 24 6.655 6.845 -4.100 1.00 0.00 C ATOM 317 CG LEU A 24 6.536 8.047 -5.038 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.960 9.246 -4.299 1.00 0.00 C ATOM 319 CD2 LEU A 24 7.891 8.389 -5.639 1.00 0.00 C ATOM 0 H LEU A 24 6.221 4.777 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 24 4.598 7.017 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.199 7.153 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.255 6.079 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 24 5.856 7.786 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.883 10.092 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.970 8.997 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.614 9.510 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.788 9.247 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.593 8.631 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.265 7.535 -6.204 1.00 0.00 H new ATOM 331 N LEU A 25 3.548 5.534 -5.171 1.00 0.00 N ATOM 332 CA LEU A 25 2.926 4.733 -6.218 1.00 0.00 C ATOM 333 C LEU A 25 3.308 5.252 -7.600 1.00 0.00 C ATOM 334 O LEU A 25 3.177 6.442 -7.886 1.00 0.00 O ATOM 335 CB LEU A 25 1.405 4.741 -6.060 1.00 0.00 C ATOM 336 CG LEU A 25 0.898 4.416 -4.653 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.622 4.381 -4.629 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.472 3.091 -4.174 1.00 0.00 C ATOM 0 H LEU A 25 2.947 6.261 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 25 3.289 3.710 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.030 5.724 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.979 4.021 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 25 1.233 5.201 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.965 4.148 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.013 5.353 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.979 3.617 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.101 2.875 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.166 2.295 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.560 3.152 -4.153 1.00 0.00 H new ATOM 350 N ASP A 26 3.780 4.351 -8.456 1.00 0.00 N ATOM 351 CA ASP A 26 4.181 4.717 -9.808 1.00 0.00 C ATOM 352 C ASP A 26 5.302 5.753 -9.785 1.00 0.00 C ATOM 353 O ASP A 26 5.456 6.535 -10.724 1.00 0.00 O ATOM 354 CB ASP A 26 2.983 5.261 -10.588 1.00 0.00 C ATOM 355 CG ASP A 26 2.279 4.186 -11.392 1.00 0.00 C ATOM 356 OD1 ASP A 26 2.936 3.560 -12.250 1.00 0.00 O ATOM 357 OD2 ASP A 26 1.070 3.969 -11.163 1.00 0.00 O ATOM 0 H ASP A 26 3.894 3.362 -8.236 1.00 0.00 H new ATOM 0 HA ASP A 26 4.552 3.820 -10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.275 5.713 -9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.319 6.051 -11.259 1.00 0.00 H new ATOM 362 N GLY A 27 6.082 5.754 -8.708 1.00 0.00 N ATOM 363 CA GLY A 27 7.178 6.698 -8.585 1.00 0.00 C ATOM 364 C GLY A 27 6.723 8.139 -8.721 1.00 0.00 C ATOM 365 O GLY A 27 7.472 8.990 -9.203 1.00 0.00 O ATOM 0 H GLY A 27 5.974 5.118 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.662 6.563 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.926 6.483 -9.349 1.00 0.00 H new ATOM 369 N GLN A 28 5.495 8.414 -8.295 1.00 0.00 N ATOM 370 CA GLN A 28 4.944 9.761 -8.372 1.00 0.00 C ATOM 371 C GLN A 28 3.872 9.974 -7.307 1.00 0.00 C ATOM 372 O GLN A 28 4.055 10.757 -6.376 1.00 0.00 O ATOM 373 CB GLN A 28 4.357 10.015 -9.763 1.00 0.00 C ATOM 374 CG GLN A 28 4.615 11.418 -10.285 1.00 0.00 C ATOM 375 CD GLN A 28 3.554 12.409 -9.848 1.00 0.00 C ATOM 376 OE1 GLN A 28 2.519 12.553 -10.498 1.00 0.00 O ATOM 377 NE2 GLN A 28 3.807 13.098 -8.741 1.00 0.00 N ATOM 0 H GLN A 28 4.863 7.722 -7.893 1.00 0.00 H new ATOM 0 HA GLN A 28 5.753 10.469 -8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.777 9.293 -10.463 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.282 9.840 -9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.590 11.758 -9.935 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.658 11.394 -11.374 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.679 12.946 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.130 13.779 -8.398 1.00 0.00 H new ATOM 386 N LYS A 29 2.754 9.270 -7.451 1.00 0.00 N ATOM 387 CA LYS A 29 1.653 9.381 -6.502 1.00 0.00 C ATOM 388 C LYS A 29 2.101 8.987 -5.099 1.00 0.00 C ATOM 389 O LYS A 29 3.104 8.294 -4.929 1.00 0.00 O ATOM 390 CB LYS A 29 0.481 8.502 -6.942 1.00 0.00 C ATOM 391 CG LYS A 29 -0.264 9.042 -8.151 1.00 0.00 C ATOM 392 CD LYS A 29 0.186 8.361 -9.434 1.00 0.00 C ATOM 393 CE LYS A 29 0.317 9.356 -10.576 1.00 0.00 C ATOM 394 NZ LYS A 29 -0.092 8.763 -11.880 1.00 0.00 N ATOM 0 H LYS A 29 2.587 8.616 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 29 1.329 10.422 -6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.853 7.503 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.217 8.399 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.335 8.893 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.099 10.116 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.144 7.867 -9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.530 7.585 -9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.298 10.232 -10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.349 9.700 -10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.012 9.473 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.511 7.943 -12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.085 8.458 -11.827 1.00 0.00 H new ATOM 408 N THR A 30 1.352 9.433 -4.096 1.00 0.00 N ATOM 409 CA THR A 30 1.673 9.127 -2.706 1.00 0.00 C ATOM 410 C THR A 30 0.534 8.361 -2.042 1.00 0.00 C ATOM 411 O THR A 30 -0.633 8.731 -2.167 1.00 0.00 O ATOM 412 CB THR A 30 1.958 10.414 -1.931 1.00 0.00 C ATOM 413 OG1 THR A 30 1.180 11.486 -2.436 1.00 0.00 O ATOM 414 CG2 THR A 30 3.410 10.836 -1.985 1.00 0.00 C ATOM 0 H THR A 30 0.518 10.008 -4.219 1.00 0.00 H new ATOM 0 HA THR A 30 2.565 8.500 -2.694 1.00 0.00 H new ATOM 0 HB THR A 30 1.699 10.191 -0.896 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.375 12.300 -1.926 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.543 11.756 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.033 10.051 -1.557 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.701 11.006 -3.022 1.00 0.00 H new ATOM 422 N GLY A 31 0.880 7.290 -1.335 1.00 0.00 N ATOM 423 CA GLY A 31 -0.124 6.489 -0.661 1.00 0.00 C ATOM 424 C GLY A 31 0.373 5.918 0.652 1.00 0.00 C ATOM 425 O GLY A 31 1.579 5.785 0.861 1.00 0.00 O ATOM 0 H GLY A 31 1.839 6.963 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.007 7.100 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.432 5.673 -1.315 1.00 0.00 H new ATOM 429 N THR A 32 -0.558 5.580 1.538 1.00 0.00 N ATOM 430 CA THR A 32 -0.207 5.020 2.839 1.00 0.00 C ATOM 431 C THR A 32 -0.545 3.535 2.900 1.00 0.00 C ATOM 432 O THR A 32 -1.662 3.128 2.584 1.00 0.00 O ATOM 433 CB THR A 32 -0.941 5.768 3.954 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.011 7.153 3.667 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.287 5.612 5.310 1.00 0.00 C ATOM 0 H THR A 32 -1.560 5.684 1.380 1.00 0.00 H new ATOM 0 HA THR A 32 0.868 5.136 2.979 1.00 0.00 H new ATOM 0 HB THR A 32 -1.935 5.323 3.995 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.485 7.613 4.391 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.857 6.167 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.263 4.557 5.583 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.731 6.000 5.270 1.00 0.00 H new ATOM 443 N LEU A 33 0.429 2.729 3.310 1.00 0.00 N ATOM 444 CA LEU A 33 0.236 1.287 3.413 1.00 0.00 C ATOM 445 C LEU A 33 -0.651 0.941 4.605 1.00 0.00 C ATOM 446 O LEU A 33 -0.583 1.587 5.651 1.00 0.00 O ATOM 447 CB LEU A 33 1.586 0.579 3.544 1.00 0.00 C ATOM 448 CG LEU A 33 1.549 -0.933 3.310 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.193 -1.242 1.863 1.00 0.00 C ATOM 450 CD2 LEU A 33 2.885 -1.560 3.679 1.00 0.00 C ATOM 0 H LEU A 33 1.360 3.050 3.576 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.259 0.945 2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.283 1.024 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.983 0.767 4.542 1.00 0.00 H new ATOM 0 HG LEU A 33 0.778 -1.363 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.172 -2.322 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.213 -0.825 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.939 -0.801 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.842 -2.635 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.673 -1.125 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.098 -1.369 4.731 1.00 0.00 H new ATOM 462 N ARG A 34 -1.484 -0.081 4.439 1.00 0.00 N ATOM 463 CA ARG A 34 -2.386 -0.512 5.502 1.00 0.00 C ATOM 464 C ARG A 34 -2.402 -2.033 5.619 1.00 0.00 C ATOM 465 O ARG A 34 -2.282 -2.582 6.714 1.00 0.00 O ATOM 466 CB ARG A 34 -3.800 0.006 5.240 1.00 0.00 C ATOM 467 CG ARG A 34 -3.856 1.493 4.929 1.00 0.00 C ATOM 468 CD ARG A 34 -5.092 2.143 5.529 1.00 0.00 C ATOM 469 NE ARG A 34 -5.047 2.159 6.990 1.00 0.00 N ATOM 470 CZ ARG A 34 -5.800 2.954 7.746 1.00 0.00 C ATOM 471 NH1 ARG A 34 -6.655 3.801 7.185 1.00 0.00 N ATOM 472 NH2 ARG A 34 -5.696 2.905 9.067 1.00 0.00 N ATOM 0 H ARG A 34 -1.554 -0.626 3.580 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.023 -0.098 6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.232 -0.547 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.420 -0.198 6.113 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.962 1.981 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.855 1.640 3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.181 3.164 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.981 1.605 5.199 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.400 1.523 7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.737 3.845 6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.230 4.408 7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.039 2.258 9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.273 3.514 9.647 1.00 0.00 H new ATOM 486 N PHE A 35 -2.552 -2.707 4.483 1.00 0.00 N ATOM 487 CA PHE A 35 -2.585 -4.165 4.458 1.00 0.00 C ATOM 488 C PHE A 35 -1.486 -4.720 3.558 1.00 0.00 C ATOM 489 O PHE A 35 -0.945 -4.007 2.713 1.00 0.00 O ATOM 490 CB PHE A 35 -3.950 -4.657 3.977 1.00 0.00 C ATOM 491 CG PHE A 35 -4.084 -6.153 3.975 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.720 -6.894 2.863 1.00 0.00 C ATOM 493 CD2 PHE A 35 -4.574 -6.819 5.088 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.841 -8.269 2.858 1.00 0.00 C ATOM 495 CE2 PHE A 35 -4.698 -8.195 5.089 1.00 0.00 C ATOM 496 CZ PHE A 35 -4.331 -8.922 3.973 1.00 0.00 C ATOM 0 H PHE A 35 -2.653 -2.267 3.568 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.414 -4.524 5.473 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.725 -4.232 4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.127 -4.283 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.337 -6.389 1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.862 -6.256 5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.553 -8.834 1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.082 -8.702 5.962 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.427 -9.998 3.972 1.00 0.00 H new ATOM 506 N CYS A 36 -1.159 -5.993 3.747 1.00 0.00 N ATOM 507 CA CYS A 36 -0.124 -6.644 2.953 1.00 0.00 C ATOM 508 C CYS A 36 -0.351 -8.151 2.890 1.00 0.00 C ATOM 509 O CYS A 36 -0.600 -8.793 3.911 1.00 0.00 O ATOM 510 CB CYS A 36 1.258 -6.349 3.537 1.00 0.00 C ATOM 511 SG CYS A 36 1.504 -6.985 5.211 1.00 0.00 S ATOM 0 H CYS A 36 -1.596 -6.596 4.444 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.176 -6.245 1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.016 -6.778 2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.415 -5.270 3.543 1.00 0.00 H new ATOM 0 HG CYS A 36 0.733 -8.015 5.402 1.00 0.00 H new ATOM 517 N GLY A 37 -0.265 -8.708 1.687 1.00 0.00 N ATOM 518 CA GLY A 37 -0.464 -10.136 1.515 1.00 0.00 C ATOM 519 C GLY A 37 -1.205 -10.468 0.234 1.00 0.00 C ATOM 520 O GLY A 37 -1.221 -9.673 -0.705 1.00 0.00 O ATOM 0 H GLY A 37 -0.061 -8.197 0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.504 -10.637 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.022 -10.527 2.366 1.00 0.00 H new ATOM 524 N THR A 38 -1.820 -11.646 0.198 1.00 0.00 N ATOM 525 CA THR A 38 -2.566 -12.082 -0.977 1.00 0.00 C ATOM 526 C THR A 38 -4.020 -11.628 -0.897 1.00 0.00 C ATOM 527 O THR A 38 -4.533 -11.343 0.184 1.00 0.00 O ATOM 528 CB THR A 38 -2.502 -13.604 -1.112 1.00 0.00 C ATOM 529 OG1 THR A 38 -3.311 -14.228 -0.131 1.00 0.00 O ATOM 530 CG2 THR A 38 -1.101 -14.159 -0.973 1.00 0.00 C ATOM 0 H THR A 38 -1.816 -12.315 0.968 1.00 0.00 H new ATOM 0 HA THR A 38 -2.109 -11.627 -1.856 1.00 0.00 H new ATOM 0 HB THR A 38 -2.862 -13.821 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.259 -15.201 -0.234 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.127 -15.244 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.463 -13.734 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.703 -13.900 0.008 1.00 0.00 H new ATOM 538 N THR A 39 -4.678 -11.562 -2.051 1.00 0.00 N ATOM 539 CA THR A 39 -6.073 -11.141 -2.112 1.00 0.00 C ATOM 540 C THR A 39 -6.970 -12.297 -2.545 1.00 0.00 C ATOM 541 O THR A 39 -6.488 -13.376 -2.887 1.00 0.00 O ATOM 542 CB THR A 39 -6.232 -9.967 -3.079 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.894 -10.355 -4.398 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.375 -8.774 -2.716 1.00 0.00 C ATOM 0 H THR A 39 -4.268 -11.795 -2.955 1.00 0.00 H new ATOM 0 HA THR A 39 -6.375 -10.823 -1.114 1.00 0.00 H new ATOM 0 HB THR A 39 -7.280 -9.675 -3.011 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.293 -11.128 -4.368 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.535 -7.977 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.647 -8.420 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.325 -9.065 -2.723 1.00 0.00 H new ATOM 552 N GLU A 40 -8.278 -12.062 -2.527 1.00 0.00 N ATOM 553 CA GLU A 40 -9.243 -13.084 -2.919 1.00 0.00 C ATOM 554 C GLU A 40 -9.414 -13.120 -4.434 1.00 0.00 C ATOM 555 O GLU A 40 -9.353 -14.183 -5.051 1.00 0.00 O ATOM 556 CB GLU A 40 -10.593 -12.824 -2.245 1.00 0.00 C ATOM 557 CG GLU A 40 -11.258 -14.083 -1.712 1.00 0.00 C ATOM 558 CD GLU A 40 -12.668 -13.830 -1.215 1.00 0.00 C ATOM 559 OE1 GLU A 40 -12.978 -12.669 -0.876 1.00 0.00 O ATOM 560 OE2 GLU A 40 -13.460 -14.794 -1.162 1.00 0.00 O ATOM 0 H GLU A 40 -8.694 -11.174 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.863 -14.052 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.450 -12.122 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.261 -12.345 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.283 -14.837 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.657 -14.491 -0.899 1.00 0.00 H new ATOM 567 N PHE A 41 -9.628 -11.950 -5.027 1.00 0.00 N ATOM 568 CA PHE A 41 -9.808 -11.847 -6.471 1.00 0.00 C ATOM 569 C PHE A 41 -8.550 -12.295 -7.209 1.00 0.00 C ATOM 570 O PHE A 41 -8.624 -12.831 -8.315 1.00 0.00 O ATOM 571 CB PHE A 41 -10.157 -10.409 -6.862 1.00 0.00 C ATOM 572 CG PHE A 41 -9.276 -9.380 -6.213 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.029 -9.086 -6.739 1.00 0.00 C ATOM 574 CD2 PHE A 41 -9.698 -8.706 -5.078 1.00 0.00 C ATOM 575 CE1 PHE A 41 -7.217 -8.138 -6.144 1.00 0.00 C ATOM 576 CE2 PHE A 41 -8.890 -7.758 -4.479 1.00 0.00 C ATOM 577 CZ PHE A 41 -7.648 -7.474 -5.012 1.00 0.00 C ATOM 0 H PHE A 41 -9.681 -11.061 -4.531 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.630 -12.504 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.084 -10.307 -7.945 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.194 -10.209 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.687 -9.603 -7.624 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.668 -8.924 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.247 -7.917 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.230 -7.240 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.015 -6.734 -4.545 1.00 0.00 H new ATOM 587 N ALA A 42 -7.395 -12.072 -6.589 1.00 0.00 N ATOM 588 CA ALA A 42 -6.122 -12.453 -7.187 1.00 0.00 C ATOM 589 C ALA A 42 -5.201 -13.095 -6.154 1.00 0.00 C ATOM 590 O ALA A 42 -5.125 -12.645 -5.012 1.00 0.00 O ATOM 591 CB ALA A 42 -5.450 -11.240 -7.813 1.00 0.00 C ATOM 0 H ALA A 42 -7.316 -11.630 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.320 -13.189 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.500 -11.539 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.096 -10.825 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.272 -10.487 -7.046 1.00 0.00 H new ATOM 597 N SER A 43 -4.505 -14.150 -6.566 1.00 0.00 N ATOM 598 CA SER A 43 -3.589 -14.855 -5.676 1.00 0.00 C ATOM 599 C SER A 43 -2.139 -14.512 -6.004 1.00 0.00 C ATOM 600 O SER A 43 -1.590 -14.983 -7.000 1.00 0.00 O ATOM 601 CB SER A 43 -3.804 -16.365 -5.781 1.00 0.00 C ATOM 602 OG SER A 43 -5.149 -16.710 -5.499 1.00 0.00 O ATOM 0 H SER A 43 -4.558 -14.535 -7.509 1.00 0.00 H new ATOM 0 HA SER A 43 -3.797 -14.536 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.541 -16.704 -6.783 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.140 -16.879 -5.086 1.00 0.00 H new ATOM 0 HG SER A 43 -5.260 -17.681 -5.575 1.00 0.00 H new ATOM 608 N GLY A 44 -1.526 -13.689 -5.160 1.00 0.00 N ATOM 609 CA GLY A 44 -0.146 -13.298 -5.378 1.00 0.00 C ATOM 610 C GLY A 44 0.298 -12.188 -4.444 1.00 0.00 C ATOM 611 O GLY A 44 -0.151 -12.116 -3.299 1.00 0.00 O ATOM 0 H GLY A 44 -1.960 -13.286 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.500 -14.165 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.023 -12.971 -6.410 1.00 0.00 H new ATOM 615 N GLN A 45 1.180 -11.323 -4.931 1.00 0.00 N ATOM 616 CA GLN A 45 1.684 -10.213 -4.131 1.00 0.00 C ATOM 617 C GLN A 45 0.793 -8.985 -4.284 1.00 0.00 C ATOM 618 O GLN A 45 0.698 -8.404 -5.366 1.00 0.00 O ATOM 619 CB GLN A 45 3.118 -9.870 -4.541 1.00 0.00 C ATOM 620 CG GLN A 45 4.171 -10.665 -3.788 1.00 0.00 C ATOM 621 CD GLN A 45 4.481 -11.994 -4.447 1.00 0.00 C ATOM 622 OE1 GLN A 45 5.484 -12.134 -5.148 1.00 0.00 O ATOM 623 NE2 GLN A 45 3.620 -12.981 -4.225 1.00 0.00 N ATOM 0 H GLN A 45 1.561 -11.369 -5.876 1.00 0.00 H new ATOM 0 HA GLN A 45 1.676 -10.519 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.234 -10.049 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.290 -8.806 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.085 -10.076 -3.720 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.828 -10.841 -2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.802 -12.821 -3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.777 -13.898 -4.642 1.00 0.00 H new ATOM 632 N TRP A 46 0.140 -8.594 -3.194 1.00 0.00 N ATOM 633 CA TRP A 46 -0.743 -7.434 -3.207 1.00 0.00 C ATOM 634 C TRP A 46 -0.664 -6.675 -1.887 1.00 0.00 C ATOM 635 O TRP A 46 -0.550 -7.277 -0.819 1.00 0.00 O ATOM 636 CB TRP A 46 -2.185 -7.870 -3.474 1.00 0.00 C ATOM 637 CG TRP A 46 -2.439 -8.232 -4.906 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.414 -9.484 -5.451 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.754 -7.334 -5.975 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.696 -9.417 -6.794 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.908 -8.109 -7.140 1.00 0.00 C ATOM 642 CE3 TRP A 46 -2.923 -5.949 -6.061 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.222 -7.545 -8.374 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.234 -5.390 -7.286 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.381 -6.187 -8.428 1.00 0.00 C ATOM 0 H TRP A 46 0.206 -9.064 -2.291 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.418 -6.768 -4.007 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.421 -8.726 -2.843 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.860 -7.065 -3.185 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.204 -10.393 -4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.740 -10.213 -7.430 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.812 -5.327 -5.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.336 -8.157 -9.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.366 -4.321 -7.364 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.625 -5.720 -9.371 1.00 0.00 H new ATOM 656 N VAL A 47 -0.727 -5.350 -1.968 1.00 0.00 N ATOM 657 CA VAL A 47 -0.662 -4.509 -0.780 1.00 0.00 C ATOM 658 C VAL A 47 -1.646 -3.347 -0.873 1.00 0.00 C ATOM 659 O VAL A 47 -1.673 -2.621 -1.866 1.00 0.00 O ATOM 660 CB VAL A 47 0.755 -3.947 -0.566 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.715 -5.056 -0.160 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.246 -3.241 -1.820 1.00 0.00 C ATOM 0 H VAL A 47 -0.823 -4.836 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.927 -5.141 0.068 1.00 0.00 H new ATOM 0 HB VAL A 47 0.717 -3.217 0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.711 -4.639 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.372 -5.512 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.750 -5.812 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.249 -2.851 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.268 -3.947 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.573 -2.418 -2.062 1.00 0.00 H new ATOM 672 N GLY A 48 -2.454 -3.177 0.169 1.00 0.00 N ATOM 673 CA GLY A 48 -3.428 -2.101 0.183 1.00 0.00 C ATOM 674 C GLY A 48 -2.802 -0.758 0.503 1.00 0.00 C ATOM 675 O GLY A 48 -2.086 -0.619 1.495 1.00 0.00 O ATOM 0 H GLY A 48 -2.452 -3.764 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.920 -2.047 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.200 -2.323 0.919 1.00 0.00 H new ATOM 679 N VAL A 49 -3.071 0.233 -0.340 1.00 0.00 N ATOM 680 CA VAL A 49 -2.529 1.572 -0.142 1.00 0.00 C ATOM 681 C VAL A 49 -3.583 2.639 -0.420 1.00 0.00 C ATOM 682 O VAL A 49 -4.297 2.576 -1.420 1.00 0.00 O ATOM 683 CB VAL A 49 -1.310 1.824 -1.049 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.624 3.129 -0.673 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.336 0.658 -0.972 1.00 0.00 C ATOM 0 H VAL A 49 -3.661 0.134 -1.166 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.217 1.635 0.901 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.658 1.908 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.235 3.290 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.326 3.955 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.289 3.078 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.519 0.854 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.007 0.538 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.835 -0.255 -1.297 1.00 0.00 H new ATOM 695 N GLU A 50 -3.674 3.619 0.474 1.00 0.00 N ATOM 696 CA GLU A 50 -4.640 4.701 0.326 1.00 0.00 C ATOM 697 C GLU A 50 -4.016 5.893 -0.392 1.00 0.00 C ATOM 698 O GLU A 50 -3.075 6.508 0.109 1.00 0.00 O ATOM 699 CB GLU A 50 -5.166 5.133 1.695 1.00 0.00 C ATOM 700 CG GLU A 50 -6.542 5.778 1.643 1.00 0.00 C ATOM 701 CD GLU A 50 -6.574 7.142 2.306 1.00 0.00 C ATOM 702 OE1 GLU A 50 -5.720 7.987 1.966 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.455 7.364 3.164 1.00 0.00 O ATOM 0 H GLU A 50 -3.091 3.686 1.308 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.471 4.333 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.206 4.263 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.461 5.835 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.854 5.877 0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.264 5.124 2.132 1.00 0.00 H new ATOM 710 N LEU A 51 -4.547 6.214 -1.567 1.00 0.00 N ATOM 711 CA LEU A 51 -4.041 7.333 -2.354 1.00 0.00 C ATOM 712 C LEU A 51 -4.279 8.657 -1.633 1.00 0.00 C ATOM 713 O LEU A 51 -5.325 8.861 -1.018 1.00 0.00 O ATOM 714 CB LEU A 51 -4.712 7.361 -3.729 1.00 0.00 C ATOM 715 CG LEU A 51 -4.367 6.184 -4.642 1.00 0.00 C ATOM 716 CD1 LEU A 51 -5.465 5.969 -5.673 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.029 6.415 -5.327 1.00 0.00 C ATOM 0 H LEU A 51 -5.327 5.716 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.967 7.198 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.793 7.387 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.433 8.286 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.289 5.285 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.202 5.127 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.406 5.758 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.575 6.867 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.800 5.567 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.079 7.324 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.248 6.519 -4.574 1.00 0.00 H new ATOM 729 N ASP A 52 -3.301 9.553 -1.716 1.00 0.00 N ATOM 730 CA ASP A 52 -3.405 10.857 -1.072 1.00 0.00 C ATOM 731 C ASP A 52 -4.418 11.738 -1.796 1.00 0.00 C ATOM 732 O ASP A 52 -5.240 12.404 -1.164 1.00 0.00 O ATOM 733 CB ASP A 52 -2.037 11.544 -1.042 1.00 0.00 C ATOM 734 CG ASP A 52 -1.501 11.703 0.368 1.00 0.00 C ATOM 735 OD1 ASP A 52 -1.855 10.876 1.234 1.00 0.00 O ATOM 736 OD2 ASP A 52 -0.727 12.655 0.606 1.00 0.00 O ATOM 0 H ASP A 52 -2.429 9.400 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.748 10.706 -0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.329 10.964 -1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.116 12.525 -1.511 1.00 0.00 H new ATOM 741 N GLU A 53 -4.354 11.737 -3.122 1.00 0.00 N ATOM 742 CA GLU A 53 -5.267 12.535 -3.933 1.00 0.00 C ATOM 743 C GLU A 53 -6.693 11.998 -3.832 1.00 0.00 C ATOM 744 O GLU A 53 -6.905 10.844 -3.461 1.00 0.00 O ATOM 745 CB GLU A 53 -4.813 12.540 -5.395 1.00 0.00 C ATOM 746 CG GLU A 53 -3.698 13.531 -5.682 1.00 0.00 C ATOM 747 CD GLU A 53 -2.697 13.005 -6.691 1.00 0.00 C ATOM 748 OE1 GLU A 53 -3.036 12.948 -7.891 1.00 0.00 O ATOM 749 OE2 GLU A 53 -1.570 12.652 -6.281 1.00 0.00 O ATOM 0 H GLU A 53 -3.679 11.192 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.254 13.557 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.477 11.539 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.667 12.772 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.130 14.460 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.181 13.770 -4.753 1.00 0.00 H new ATOM 756 N PRO A 54 -7.694 12.832 -4.162 1.00 0.00 N ATOM 757 CA PRO A 54 -9.104 12.435 -4.105 1.00 0.00 C ATOM 758 C PRO A 54 -9.471 11.437 -5.201 1.00 0.00 C ATOM 759 O PRO A 54 -10.320 11.715 -6.049 1.00 0.00 O ATOM 760 CB PRO A 54 -9.853 13.753 -4.308 1.00 0.00 C ATOM 761 CG PRO A 54 -8.909 14.608 -5.080 1.00 0.00 C ATOM 762 CD PRO A 54 -7.530 14.227 -4.615 1.00 0.00 C ATOM 0 HA PRO A 54 -9.348 11.931 -3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.785 13.599 -4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.113 14.212 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.019 14.442 -6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.103 15.665 -4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.799 14.305 -5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.185 14.874 -3.808 1.00 0.00 H new ATOM 770 N GLU A 55 -8.826 10.275 -5.177 1.00 0.00 N ATOM 771 CA GLU A 55 -9.082 9.235 -6.166 1.00 0.00 C ATOM 772 C GLU A 55 -9.026 7.852 -5.525 1.00 0.00 C ATOM 773 O GLU A 55 -8.285 7.631 -4.567 1.00 0.00 O ATOM 774 CB GLU A 55 -8.067 9.323 -7.306 1.00 0.00 C ATOM 775 CG GLU A 55 -8.250 10.543 -8.193 1.00 0.00 C ATOM 776 CD GLU A 55 -8.903 10.207 -9.520 1.00 0.00 C ATOM 777 OE1 GLU A 55 -9.998 9.607 -9.507 1.00 0.00 O ATOM 778 OE2 GLU A 55 -8.318 10.545 -10.572 1.00 0.00 O ATOM 0 H GLU A 55 -8.121 10.030 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.083 9.390 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.062 9.338 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.143 8.425 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.858 11.280 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.279 11.003 -8.376 1.00 0.00 H new ATOM 785 N GLY A 56 -9.813 6.924 -6.059 1.00 0.00 N ATOM 786 CA GLY A 56 -9.835 5.575 -5.526 1.00 0.00 C ATOM 787 C GLY A 56 -10.932 4.725 -6.135 1.00 0.00 C ATOM 788 O GLY A 56 -11.554 5.119 -7.122 1.00 0.00 O ATOM 0 H GLY A 56 -10.436 7.082 -6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.870 5.101 -5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.971 5.618 -4.445 1.00 0.00 H new ATOM 792 N LYS A 57 -11.170 3.558 -5.546 1.00 0.00 N ATOM 793 CA LYS A 57 -12.200 2.650 -6.038 1.00 0.00 C ATOM 794 C LYS A 57 -12.803 1.839 -4.895 1.00 0.00 C ATOM 795 O LYS A 57 -14.023 1.700 -4.796 1.00 0.00 O ATOM 796 CB LYS A 57 -11.617 1.708 -7.093 1.00 0.00 C ATOM 797 CG LYS A 57 -11.693 2.259 -8.508 1.00 0.00 C ATOM 798 CD LYS A 57 -10.632 1.642 -9.403 1.00 0.00 C ATOM 799 CE LYS A 57 -11.115 1.525 -10.840 1.00 0.00 C ATOM 800 NZ LYS A 57 -11.730 2.791 -11.325 1.00 0.00 N ATOM 0 H LYS A 57 -10.664 3.219 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.990 3.249 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.575 1.501 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.149 0.757 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.681 2.062 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.567 3.341 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.728 2.250 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.366 0.655 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.277 1.259 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.843 0.717 -10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.813 2.762 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.675 2.901 -10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.132 3.596 -11.048 1.00 0.00 H new ATOM 814 N ASN A 58 -11.943 1.303 -4.035 1.00 0.00 N ATOM 815 CA ASN A 58 -12.393 0.506 -2.901 1.00 0.00 C ATOM 816 C ASN A 58 -12.430 1.343 -1.626 1.00 0.00 C ATOM 817 O ASN A 58 -11.619 2.251 -1.444 1.00 0.00 O ATOM 818 CB ASN A 58 -11.475 -0.703 -2.704 1.00 0.00 C ATOM 819 CG ASN A 58 -11.290 -1.502 -3.979 1.00 0.00 C ATOM 820 OD1 ASN A 58 -12.260 -1.942 -4.595 1.00 0.00 O ATOM 821 ND2 ASN A 58 -10.039 -1.694 -4.381 1.00 0.00 N ATOM 0 H ASN A 58 -10.931 1.407 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.403 0.157 -3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.503 -0.363 -2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.890 -1.349 -1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.853 -2.225 -5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.265 -1.311 -3.839 1.00 0.00 H new ATOM 828 N ASP A 59 -13.377 1.030 -0.747 1.00 0.00 N ATOM 829 CA ASP A 59 -13.520 1.752 0.511 1.00 0.00 C ATOM 830 C ASP A 59 -12.958 0.939 1.672 1.00 0.00 C ATOM 831 O ASP A 59 -13.430 1.044 2.803 1.00 0.00 O ATOM 832 CB ASP A 59 -14.991 2.082 0.769 1.00 0.00 C ATOM 833 CG ASP A 59 -15.643 2.779 -0.408 1.00 0.00 C ATOM 834 OD1 ASP A 59 -14.984 3.641 -1.027 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.813 2.462 -0.712 1.00 0.00 O ATOM 0 H ASP A 59 -14.056 0.281 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.954 2.681 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.533 1.162 0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.069 2.717 1.652 1.00 0.00 H new ATOM 840 N GLY A 60 -11.945 0.127 1.383 1.00 0.00 N ATOM 841 CA GLY A 60 -11.336 -0.693 2.414 1.00 0.00 C ATOM 842 C GLY A 60 -11.882 -2.107 2.429 1.00 0.00 C ATOM 843 O GLY A 60 -11.178 -3.048 2.797 1.00 0.00 O ATOM 0 H GLY A 60 -11.536 0.023 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.258 -0.725 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.504 -0.232 3.387 1.00 0.00 H new ATOM 847 N SER A 61 -13.140 -2.258 2.027 1.00 0.00 N ATOM 848 CA SER A 61 -13.781 -3.567 1.995 1.00 0.00 C ATOM 849 C SER A 61 -13.986 -4.039 0.560 1.00 0.00 C ATOM 850 O SER A 61 -14.567 -3.328 -0.261 1.00 0.00 O ATOM 851 CB SER A 61 -15.125 -3.517 2.725 1.00 0.00 C ATOM 852 OG SER A 61 -14.972 -3.024 4.044 1.00 0.00 O ATOM 0 H SER A 61 -13.736 -1.489 1.719 1.00 0.00 H new ATOM 0 HA SER A 61 -13.126 -4.277 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.818 -2.881 2.174 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.563 -4.515 2.755 1.00 0.00 H new ATOM 0 HG SER A 61 -15.845 -3.001 4.488 1.00 0.00 H new ATOM 858 N VAL A 62 -13.504 -5.241 0.263 1.00 0.00 N ATOM 859 CA VAL A 62 -13.634 -5.807 -1.075 1.00 0.00 C ATOM 860 C VAL A 62 -14.082 -7.264 -1.013 1.00 0.00 C ATOM 861 O VAL A 62 -13.453 -8.089 -0.351 1.00 0.00 O ATOM 862 CB VAL A 62 -12.307 -5.722 -1.853 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.511 -6.136 -3.302 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.728 -4.319 -1.767 1.00 0.00 C ATOM 0 H VAL A 62 -13.020 -5.842 0.930 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.389 -5.218 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.595 -6.412 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.563 -6.070 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.878 -7.162 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.239 -5.474 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.791 -4.277 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.434 -3.607 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.543 -4.065 -0.723 1.00 0.00 H new ATOM 874 N GLY A 63 -15.172 -7.572 -1.706 1.00 0.00 N ATOM 875 CA GLY A 63 -15.685 -8.929 -1.717 1.00 0.00 C ATOM 876 C GLY A 63 -16.033 -9.431 -0.328 1.00 0.00 C ATOM 877 O GLY A 63 -16.021 -10.636 -0.076 1.00 0.00 O ATOM 0 H GLY A 63 -15.710 -6.906 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.572 -8.973 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.943 -9.591 -2.163 1.00 0.00 H new ATOM 881 N GLY A 64 -16.343 -8.505 0.573 1.00 0.00 N ATOM 882 CA GLY A 64 -16.691 -8.879 1.931 1.00 0.00 C ATOM 883 C GLY A 64 -15.510 -8.797 2.877 1.00 0.00 C ATOM 884 O GLY A 64 -15.671 -8.482 4.057 1.00 0.00 O ATOM 0 H GLY A 64 -16.359 -7.502 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.487 -8.227 2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.085 -9.895 1.935 1.00 0.00 H new ATOM 888 N VAL A 65 -14.319 -9.083 2.360 1.00 0.00 N ATOM 889 CA VAL A 65 -13.106 -9.040 3.167 1.00 0.00 C ATOM 890 C VAL A 65 -12.731 -7.606 3.521 1.00 0.00 C ATOM 891 O VAL A 65 -12.625 -6.747 2.646 1.00 0.00 O ATOM 892 CB VAL A 65 -11.922 -9.702 2.437 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.724 -9.828 3.365 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.326 -11.062 1.888 1.00 0.00 C ATOM 0 H VAL A 65 -14.169 -9.347 1.386 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.316 -9.594 4.082 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.636 -9.067 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.898 -10.298 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.420 -8.837 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.994 -10.439 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.477 -11.514 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.640 -11.707 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.151 -10.941 1.186 1.00 0.00 H new ATOM 904 N ARG A 66 -12.531 -7.353 4.811 1.00 0.00 N ATOM 905 CA ARG A 66 -12.167 -6.021 5.281 1.00 0.00 C ATOM 906 C ARG A 66 -10.652 -5.875 5.384 1.00 0.00 C ATOM 907 O ARG A 66 -9.946 -6.835 5.695 1.00 0.00 O ATOM 908 CB ARG A 66 -12.811 -5.743 6.641 1.00 0.00 C ATOM 909 CG ARG A 66 -12.638 -4.309 7.114 1.00 0.00 C ATOM 910 CD ARG A 66 -13.970 -3.677 7.489 1.00 0.00 C ATOM 911 NE ARG A 66 -13.824 -2.677 8.544 1.00 0.00 N ATOM 912 CZ ARG A 66 -13.701 -2.974 9.835 1.00 0.00 C ATOM 913 NH1 ARG A 66 -13.705 -4.240 10.236 1.00 0.00 N ATOM 914 NH2 ARG A 66 -13.573 -2.004 10.729 1.00 0.00 N ATOM 0 H ARG A 66 -12.615 -8.052 5.549 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.536 -5.295 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.875 -5.972 6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.380 -6.416 7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.970 -4.288 7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.164 -3.721 6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.412 -3.212 6.608 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.660 -4.454 7.819 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.816 -1.693 8.275 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.803 -4.991 9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.610 -4.461 11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.569 -1.030 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.479 -2.232 11.719 1.00 0.00 H new ATOM 928 N TYR A 67 -10.159 -4.670 5.119 1.00 0.00 N ATOM 929 CA TYR A 67 -8.727 -4.401 5.182 1.00 0.00 C ATOM 930 C TYR A 67 -8.446 -3.135 5.985 1.00 0.00 C ATOM 931 O TYR A 67 -7.565 -3.118 6.845 1.00 0.00 O ATOM 932 CB TYR A 67 -8.151 -4.261 3.771 1.00 0.00 C ATOM 933 CG TYR A 67 -8.375 -5.477 2.901 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.648 -5.814 2.460 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.313 -6.289 2.522 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.858 -6.925 1.664 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.514 -7.400 1.726 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.787 -7.714 1.300 1.00 0.00 C ATOM 939 OH TYR A 67 -8.992 -8.821 0.509 1.00 0.00 O ATOM 0 H TYR A 67 -10.729 -3.865 4.859 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.246 -5.242 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.600 -3.392 3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.081 -4.068 3.842 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.488 -5.198 2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.314 -6.048 2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.854 -7.173 1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.678 -8.020 1.439 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.136 -9.267 0.343 1.00 0.00 H new ATOM 949 N PHE A 68 -9.199 -2.079 5.699 1.00 0.00 N ATOM 950 CA PHE A 68 -9.030 -0.809 6.396 1.00 0.00 C ATOM 951 C PHE A 68 -10.260 0.075 6.220 1.00 0.00 C ATOM 952 O PHE A 68 -11.243 -0.329 5.600 1.00 0.00 O ATOM 953 CB PHE A 68 -7.788 -0.081 5.877 1.00 0.00 C ATOM 954 CG PHE A 68 -7.744 0.041 4.381 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.399 -1.045 3.593 1.00 0.00 C ATOM 956 CD2 PHE A 68 -8.050 1.242 3.762 1.00 0.00 C ATOM 957 CE1 PHE A 68 -7.358 -0.935 2.216 1.00 0.00 C ATOM 958 CE2 PHE A 68 -8.012 1.358 2.385 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.666 0.268 1.612 1.00 0.00 C ATOM 0 H PHE A 68 -9.932 -2.077 4.990 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.904 -1.019 7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.752 0.916 6.316 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.898 -0.611 6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.159 -1.989 4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.321 2.098 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -7.085 -1.789 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.253 2.300 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.636 0.356 0.536 1.00 0.00 H new ATOM 969 N ILE A 69 -10.199 1.283 6.772 1.00 0.00 N ATOM 970 CA ILE A 69 -11.309 2.224 6.676 1.00 0.00 C ATOM 971 C ILE A 69 -10.833 3.588 6.190 1.00 0.00 C ATOM 972 O ILE A 69 -10.165 4.321 6.921 1.00 0.00 O ATOM 973 CB ILE A 69 -12.020 2.395 8.032 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.331 1.028 8.646 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.293 3.210 7.863 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.283 0.553 9.627 1.00 0.00 C ATOM 0 H ILE A 69 -9.393 1.633 7.290 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.013 1.809 5.955 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.356 2.932 8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.295 1.077 9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.428 0.293 7.847 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.784 3.322 8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.045 4.194 7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.964 2.698 7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.569 -0.422 10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.321 0.471 9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.202 1.267 10.447 1.00 0.00 H new ATOM 988 N CYS A 70 -11.180 3.924 4.952 1.00 0.00 N ATOM 989 CA CYS A 70 -10.789 5.202 4.368 1.00 0.00 C ATOM 990 C CYS A 70 -11.999 5.924 3.779 1.00 0.00 C ATOM 991 O CYS A 70 -13.027 5.307 3.504 1.00 0.00 O ATOM 992 CB CYS A 70 -9.731 4.987 3.283 1.00 0.00 C ATOM 993 SG CYS A 70 -10.310 4.020 1.869 1.00 0.00 S ATOM 0 H CYS A 70 -11.731 3.329 4.334 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.368 5.822 5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.387 5.959 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.870 4.485 3.725 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.615 4.821 0.891 1.00 0.00 H new ATOM 999 N PRO A 71 -11.890 7.249 3.578 1.00 0.00 N ATOM 1000 CA PRO A 71 -12.981 8.055 3.020 1.00 0.00 C ATOM 1001 C PRO A 71 -13.516 7.477 1.712 1.00 0.00 C ATOM 1002 O PRO A 71 -12.916 6.573 1.131 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.329 9.418 2.775 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.198 9.475 3.743 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.698 8.064 3.879 1.00 0.00 C ATOM 0 HA PRO A 71 -13.841 8.094 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.976 9.509 1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.035 10.231 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.409 10.136 3.383 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.527 9.867 4.705 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.884 7.857 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.319 7.867 4.882 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.658 7.996 1.228 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.272 7.528 -0.018 1.00 0.00 C ATOM 1015 C PRO A 72 -14.288 7.526 -1.183 1.00 0.00 C ATOM 1016 O PRO A 72 -13.773 8.572 -1.576 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.392 8.540 -0.267 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.726 9.073 1.083 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.438 9.078 1.857 1.00 0.00 C ATOM 0 HA PRO A 72 -15.621 6.499 0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.066 9.335 -0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.257 8.067 -0.731 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.143 10.078 1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.474 8.450 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.927 10.038 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.605 8.889 2.917 1.00 0.00 H new ATOM 1027 N LYS A 73 -14.029 6.343 -1.731 1.00 0.00 N ATOM 1028 CA LYS A 73 -13.106 6.204 -2.851 1.00 0.00 C ATOM 1029 C LYS A 73 -11.711 6.689 -2.468 1.00 0.00 C ATOM 1030 O LYS A 73 -11.468 7.892 -2.365 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.618 6.988 -4.061 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.956 6.494 -4.584 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.711 7.595 -5.311 1.00 0.00 C ATOM 1034 CE LYS A 73 -15.327 7.657 -6.781 1.00 0.00 C ATOM 1035 NZ LYS A 73 -16.418 8.227 -7.616 1.00 0.00 N ATOM 0 H LYS A 73 -14.446 5.467 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.045 5.147 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.709 8.040 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.880 6.928 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.796 5.654 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.559 6.125 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.784 7.423 -5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.502 8.555 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.428 8.262 -6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.084 6.655 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.117 8.252 -8.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.269 7.635 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.633 9.193 -7.295 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.799 5.746 -2.259 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.428 6.076 -1.887 1.00 0.00 C ATOM 1051 C GLN A 74 -8.578 4.815 -1.760 1.00 0.00 C ATOM 1052 O GLN A 74 -7.409 4.802 -2.141 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.409 6.857 -0.570 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.538 8.102 -0.614 1.00 0.00 C ATOM 1055 CD GLN A 74 -9.112 9.244 0.201 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -10.221 9.710 -0.058 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.356 9.702 1.192 1.00 0.00 N ATOM 0 H GLN A 74 -10.984 4.746 -2.341 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.003 6.698 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.428 7.146 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.053 6.203 0.226 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.543 7.858 -0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.421 8.422 -1.649 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.442 9.285 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.689 10.470 1.774 1.00 0.00 H new ATOM 1066 N GLY A 75 -9.176 3.756 -1.221 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.458 2.506 -1.053 1.00 0.00 C ATOM 1068 C GLY A 75 -8.173 1.820 -2.374 1.00 0.00 C ATOM 1069 O GLY A 75 -9.095 1.432 -3.092 1.00 0.00 O ATOM 0 H GLY A 75 -10.143 3.742 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.518 2.697 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.041 1.838 -0.418 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.893 1.671 -2.697 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.487 1.028 -3.941 1.00 0.00 C ATOM 1075 C LEU A 76 -5.387 0.002 -3.690 1.00 0.00 C ATOM 1076 O LEU A 76 -4.362 0.312 -3.082 1.00 0.00 O ATOM 1077 CB LEU A 76 -6.006 2.074 -4.948 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.765 1.548 -6.364 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -5.926 2.665 -7.383 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -4.383 0.922 -6.470 1.00 0.00 C ATOM 0 H LEU A 76 -6.118 1.987 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.354 0.511 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.743 2.876 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.080 2.513 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.508 0.780 -6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.751 2.272 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.937 3.069 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.206 3.456 -7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.228 0.553 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.626 1.670 -6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.304 0.094 -5.766 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.605 -1.221 -4.161 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.632 -2.293 -3.987 1.00 0.00 C ATOM 1094 C PHE A 77 -3.737 -2.420 -5.215 1.00 0.00 C ATOM 1095 O PHE A 77 -4.222 -2.514 -6.342 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.346 -3.619 -3.722 1.00 0.00 C ATOM 1097 CG PHE A 77 -5.994 -3.694 -2.369 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -7.276 -3.206 -2.173 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -5.320 -4.250 -1.293 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -7.874 -3.272 -0.928 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -5.913 -4.317 -0.047 1.00 0.00 C ATOM 1102 CZ PHE A 77 -7.192 -3.829 0.136 1.00 0.00 C ATOM 0 H PHE A 77 -6.448 -1.495 -4.667 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.007 -2.047 -3.129 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.106 -3.772 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.628 -4.434 -3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.814 -2.769 -3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.320 -4.635 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -8.874 -2.888 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.376 -4.751 0.784 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.658 -3.883 1.109 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.427 -2.424 -4.988 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.464 -2.540 -6.076 1.00 0.00 C ATOM 1114 C ALA A 78 -0.314 -3.465 -5.693 1.00 0.00 C ATOM 1115 O ALA A 78 0.030 -3.592 -4.518 1.00 0.00 O ATOM 1116 CB ALA A 78 -0.933 -1.167 -6.460 1.00 0.00 C ATOM 0 H ALA A 78 -2.009 -2.348 -4.061 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.975 -2.973 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.215 -1.269 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.760 -0.534 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.443 -0.712 -5.599 1.00 0.00 H new ATOM 1122 N SER A 79 0.278 -4.110 -6.694 1.00 0.00 N ATOM 1123 CA SER A 79 1.390 -5.024 -6.463 1.00 0.00 C ATOM 1124 C SER A 79 2.626 -4.268 -5.982 1.00 0.00 C ATOM 1125 O SER A 79 2.866 -3.132 -6.388 1.00 0.00 O ATOM 1126 CB SER A 79 1.717 -5.797 -7.742 1.00 0.00 C ATOM 1127 OG SER A 79 0.609 -6.569 -8.170 1.00 0.00 O ATOM 0 H SER A 79 0.006 -4.016 -7.672 1.00 0.00 H new ATOM 0 HA SER A 79 1.092 -5.729 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.003 -5.099 -8.529 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.573 -6.449 -7.567 1.00 0.00 H new ATOM 0 HG SER A 79 0.844 -7.052 -8.990 1.00 0.00 H new ATOM 1133 N VAL A 80 3.402 -4.907 -5.114 1.00 0.00 N ATOM 1134 CA VAL A 80 4.613 -4.297 -4.576 1.00 0.00 C ATOM 1135 C VAL A 80 5.575 -3.903 -5.692 1.00 0.00 C ATOM 1136 O VAL A 80 6.348 -2.954 -5.552 1.00 0.00 O ATOM 1137 CB VAL A 80 5.334 -5.246 -3.603 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.500 -5.466 -2.350 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.646 -6.571 -4.283 1.00 0.00 C ATOM 0 H VAL A 80 3.214 -5.848 -4.767 1.00 0.00 H new ATOM 0 HA VAL A 80 4.303 -3.402 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 80 6.276 -4.784 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.028 -6.140 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.333 -4.511 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.541 -5.905 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.156 -7.230 -3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.718 -7.039 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.288 -6.395 -5.146 1.00 0.00 H new ATOM 1149 N SER A 81 5.526 -4.639 -6.798 1.00 0.00 N ATOM 1150 CA SER A 81 6.395 -4.366 -7.937 1.00 0.00 C ATOM 1151 C SER A 81 6.169 -2.956 -8.471 1.00 0.00 C ATOM 1152 O SER A 81 7.085 -2.328 -9.001 1.00 0.00 O ATOM 1153 CB SER A 81 6.150 -5.390 -9.047 1.00 0.00 C ATOM 1154 OG SER A 81 5.832 -6.661 -8.508 1.00 0.00 O ATOM 0 H SER A 81 4.894 -5.429 -6.929 1.00 0.00 H new ATOM 0 HA SER A 81 7.429 -4.444 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.336 -5.049 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.037 -5.470 -9.675 1.00 0.00 H new ATOM 0 HG SER A 81 4.861 -6.738 -8.403 1.00 0.00 H new ATOM 1160 N LYS A 82 4.943 -2.463 -8.329 1.00 0.00 N ATOM 1161 CA LYS A 82 4.598 -1.127 -8.799 1.00 0.00 C ATOM 1162 C LYS A 82 4.523 -0.142 -7.636 1.00 0.00 C ATOM 1163 O LYS A 82 3.680 0.756 -7.622 1.00 0.00 O ATOM 1164 CB LYS A 82 3.263 -1.155 -9.546 1.00 0.00 C ATOM 1165 CG LYS A 82 3.228 -2.154 -10.691 1.00 0.00 C ATOM 1166 CD LYS A 82 2.486 -1.597 -11.896 1.00 0.00 C ATOM 1167 CE LYS A 82 1.646 -2.667 -12.575 1.00 0.00 C ATOM 1168 NZ LYS A 82 0.290 -2.775 -11.971 1.00 0.00 N ATOM 0 H LYS A 82 4.172 -2.969 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 82 5.381 -0.796 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.467 -1.395 -8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.054 -0.159 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.247 -2.415 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.745 -3.073 -10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.844 -0.774 -11.581 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.202 -1.188 -12.609 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.553 -2.436 -13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.154 -3.629 -12.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.251 -3.515 -12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.377 -3.020 -10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.205 -1.865 -12.064 1.00 0.00 H new ATOM 1182 N ILE A 83 5.411 -0.314 -6.663 1.00 0.00 N ATOM 1183 CA ILE A 83 5.447 0.560 -5.497 1.00 0.00 C ATOM 1184 C ILE A 83 6.872 0.730 -4.982 1.00 0.00 C ATOM 1185 O ILE A 83 7.635 -0.233 -4.911 1.00 0.00 O ATOM 1186 CB ILE A 83 4.562 0.016 -4.358 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.169 -0.328 -4.884 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.472 1.029 -3.226 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.254 -0.919 -3.833 1.00 0.00 C ATOM 0 H ILE A 83 6.116 -1.051 -6.659 1.00 0.00 H new ATOM 0 HA ILE A 83 5.060 1.528 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 83 5.017 -0.895 -3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.709 0.574 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.265 -1.034 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.844 0.630 -2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.470 1.228 -2.836 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.038 1.956 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.283 -1.138 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.692 -1.839 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.127 -0.206 -3.018 1.00 0.00 H new ATOM 1201 N SER A 84 7.223 1.961 -4.622 1.00 0.00 N ATOM 1202 CA SER A 84 8.557 2.257 -4.113 1.00 0.00 C ATOM 1203 C SER A 84 8.480 2.956 -2.760 1.00 0.00 C ATOM 1204 O SER A 84 7.680 3.873 -2.568 1.00 0.00 O ATOM 1205 CB SER A 84 9.323 3.130 -5.108 1.00 0.00 C ATOM 1206 OG SER A 84 8.437 3.920 -5.882 1.00 0.00 O ATOM 0 H SER A 84 6.602 2.769 -4.673 1.00 0.00 H new ATOM 0 HA SER A 84 9.087 1.313 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.016 3.777 -4.570 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.921 2.499 -5.765 1.00 0.00 H new ATOM 0 HG SER A 84 8.952 4.470 -6.509 1.00 0.00 H new ATOM 1212 N LYS A 85 9.316 2.518 -1.824 1.00 0.00 N ATOM 1213 CA LYS A 85 9.342 3.102 -0.488 1.00 0.00 C ATOM 1214 C LYS A 85 9.676 4.590 -0.551 1.00 0.00 C ATOM 1215 O LYS A 85 10.663 4.989 -1.169 1.00 0.00 O ATOM 1216 CB LYS A 85 10.364 2.376 0.388 1.00 0.00 C ATOM 1217 CG LYS A 85 11.768 2.366 -0.194 1.00 0.00 C ATOM 1218 CD LYS A 85 12.574 1.179 0.311 1.00 0.00 C ATOM 1219 CE LYS A 85 13.644 1.612 1.302 1.00 0.00 C ATOM 1220 NZ LYS A 85 13.053 2.183 2.544 1.00 0.00 N ATOM 0 H LYS A 85 9.984 1.761 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 85 8.351 2.988 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.390 2.850 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.035 1.348 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.711 2.332 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.279 3.292 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.906 0.460 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.042 0.671 -0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.269 0.757 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.293 2.353 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.815 2.466 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.477 3.015 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.454 1.468 3.004 1.00 0.00 H new ATOM 1234 N ALA A 86 8.845 5.404 0.092 1.00 0.00 N ATOM 1235 CA ALA A 86 9.053 6.847 0.110 1.00 0.00 C ATOM 1236 C ALA A 86 10.316 7.211 0.880 1.00 0.00 C ATOM 1237 O ALA A 86 11.034 6.336 1.365 1.00 0.00 O ATOM 1238 CB ALA A 86 7.844 7.545 0.715 1.00 0.00 C ATOM 0 H ALA A 86 8.023 5.089 0.607 1.00 0.00 H new ATOM 0 HA ALA A 86 9.178 7.184 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.012 8.622 0.723 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.959 7.320 0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.694 7.194 1.736 1.00 0.00 H new ATOM 1244 N VAL A 87 10.584 8.508 0.990 1.00 0.00 N ATOM 1245 CA VAL A 87 11.759 8.990 1.700 1.00 0.00 C ATOM 1246 C VAL A 87 11.758 8.520 3.153 1.00 0.00 C ATOM 1247 O VAL A 87 10.727 8.548 3.823 1.00 0.00 O ATOM 1248 CB VAL A 87 11.837 10.528 1.663 1.00 0.00 C ATOM 1249 CG1 VAL A 87 10.645 11.146 2.381 1.00 0.00 C ATOM 1250 CG2 VAL A 87 13.144 11.011 2.269 1.00 0.00 C ATOM 0 H VAL A 87 10.000 9.245 0.594 1.00 0.00 H new ATOM 0 HA VAL A 87 12.631 8.576 1.194 1.00 0.00 H new ATOM 0 HB VAL A 87 11.806 10.848 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.721 12.233 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.723 10.829 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 87 10.637 10.819 3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.181 12.100 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.209 10.679 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.981 10.601 1.703 1.00 0.00 H new ATOM 1260 N ASP A 88 12.920 8.087 3.630 1.00 0.00 N ATOM 1261 CA ASP A 88 13.053 7.610 5.002 1.00 0.00 C ATOM 1262 C ASP A 88 13.396 8.759 5.946 1.00 0.00 C ATOM 1263 O ASP A 88 14.447 9.387 5.819 1.00 0.00 O ATOM 1264 CB ASP A 88 14.130 6.528 5.086 1.00 0.00 C ATOM 1265 CG ASP A 88 13.918 5.591 6.259 1.00 0.00 C ATOM 1266 OD1 ASP A 88 12.813 5.019 6.369 1.00 0.00 O ATOM 1267 OD2 ASP A 88 14.856 5.429 7.066 1.00 0.00 O ATOM 0 H ASP A 88 13.783 8.056 3.087 1.00 0.00 H new ATOM 0 HA ASP A 88 12.097 7.185 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.135 5.952 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 88 15.109 7.000 5.173 1.00 0.00 H new ATOM 1272 N ALA A 89 12.502 9.027 6.892 1.00 0.00 N ATOM 1273 CA ALA A 89 12.709 10.100 7.857 1.00 0.00 C ATOM 1274 C ALA A 89 13.209 9.549 9.189 1.00 0.00 C ATOM 1275 O ALA A 89 14.359 9.766 9.569 1.00 0.00 O ATOM 1276 CB ALA A 89 11.422 10.885 8.057 1.00 0.00 C ATOM 0 H ALA A 89 11.627 8.516 7.011 1.00 0.00 H new ATOM 0 HA ALA A 89 13.472 10.771 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.591 11.683 8.780 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.108 11.317 7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.643 10.219 8.428 1.00 0.00 H new ATOM 1282 N SER A 90 12.336 8.838 9.894 1.00 0.00 N ATOM 1283 CA SER A 90 12.688 8.256 11.184 1.00 0.00 C ATOM 1284 C SER A 90 13.640 7.078 11.008 1.00 0.00 C ATOM 1285 O SER A 90 13.424 6.215 10.158 1.00 0.00 O ATOM 1286 CB SER A 90 11.428 7.803 11.924 1.00 0.00 C ATOM 1287 OG SER A 90 11.534 8.056 13.315 1.00 0.00 O ATOM 0 H SER A 90 11.379 8.651 9.594 1.00 0.00 H new ATOM 0 HA SER A 90 13.192 9.021 11.774 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.559 8.324 11.522 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.267 6.738 11.756 1.00 0.00 H new ATOM 0 HG SER A 90 10.716 7.759 13.765 1.00 0.00 H new ATOM 1293 N GLY A 91 14.693 7.049 11.818 1.00 0.00 N ATOM 1294 CA GLY A 91 15.662 5.972 11.736 1.00 0.00 C ATOM 1295 C GLY A 91 17.083 6.451 11.967 1.00 0.00 C ATOM 1296 O GLY A 91 17.569 6.433 13.098 1.00 0.00 O ATOM 0 H GLY A 91 14.893 7.752 12.530 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.415 5.208 12.473 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.595 5.501 10.755 1.00 0.00 H new ATOM 1300 N PRO A 92 17.782 6.889 10.905 1.00 0.00 N ATOM 1301 CA PRO A 92 19.161 7.374 11.012 1.00 0.00 C ATOM 1302 C PRO A 92 19.316 8.447 12.085 1.00 0.00 C ATOM 1303 O PRO A 92 18.328 8.954 12.616 1.00 0.00 O ATOM 1304 CB PRO A 92 19.442 7.958 9.626 1.00 0.00 C ATOM 1305 CG PRO A 92 18.518 7.231 8.713 1.00 0.00 C ATOM 1306 CD PRO A 92 17.280 6.945 9.519 1.00 0.00 C ATOM 0 HA PRO A 92 19.850 6.581 11.302 1.00 0.00 H new ATOM 0 HB2 PRO A 92 19.256 9.032 9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.482 7.809 9.337 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.282 7.833 7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 92 18.971 6.307 8.353 1.00 0.00 H new ATOM 0 HD2 PRO A 92 16.530 7.726 9.394 1.00 0.00 H new ATOM 0 HD3 PRO A 92 16.815 6.005 9.222 1.00 0.00 H new ATOM 1314 N SER A 93 20.561 8.788 12.398 1.00 0.00 N ATOM 1315 CA SER A 93 20.846 9.801 13.407 1.00 0.00 C ATOM 1316 C SER A 93 22.329 10.156 13.420 1.00 0.00 C ATOM 1317 O SER A 93 22.696 11.329 13.481 1.00 0.00 O ATOM 1318 CB SER A 93 20.414 9.309 14.790 1.00 0.00 C ATOM 1319 OG SER A 93 21.056 8.090 15.120 1.00 0.00 O ATOM 0 H SER A 93 21.389 8.377 11.967 1.00 0.00 H new ATOM 0 HA SER A 93 20.280 10.698 13.155 1.00 0.00 H new ATOM 0 HB2 SER A 93 20.653 10.064 15.539 1.00 0.00 H new ATOM 0 HB3 SER A 93 19.333 9.171 14.809 1.00 0.00 H new ATOM 0 HG SER A 93 20.765 7.797 16.009 1.00 0.00 H new ATOM 1325 N SER A 94 23.177 9.133 13.362 1.00 0.00 N ATOM 1326 CA SER A 94 24.620 9.337 13.367 1.00 0.00 C ATOM 1327 C SER A 94 25.114 9.761 11.988 1.00 0.00 C ATOM 1328 O SER A 94 24.442 9.539 10.981 1.00 0.00 O ATOM 1329 CB SER A 94 25.335 8.059 13.808 1.00 0.00 C ATOM 1330 OG SER A 94 25.203 7.855 15.204 1.00 0.00 O ATOM 0 H SER A 94 22.889 8.156 13.311 1.00 0.00 H new ATOM 0 HA SER A 94 24.847 10.134 14.075 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.922 7.204 13.272 1.00 0.00 H new ATOM 0 HB3 SER A 94 26.391 8.120 13.545 1.00 0.00 H new ATOM 0 HG SER A 94 25.667 7.031 15.460 1.00 0.00 H new ATOM 1336 N GLY A 95 26.294 10.373 11.949 1.00 0.00 N ATOM 1337 CA GLY A 95 26.859 10.818 10.689 1.00 0.00 C ATOM 1338 C GLY A 95 27.168 12.302 10.684 1.00 0.00 C ATOM 1339 O GLY A 95 27.787 12.776 9.709 1.00 0.00 O ATOM 1340 OXT GLY A 95 26.790 12.991 11.656 1.00 0.00 O ATOM 0 H GLY A 95 26.869 10.568 12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 95 27.773 10.259 10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 95 26.162 10.592 9.882 1.00 0.00 H new TER 1344 GLY A 95