USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 268 hydrogens (11 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 NoAdj-H: A 13 ASNHD21 : A 13 ASN ND2 : A 101 4N2 C1 :(H bumps) USER MOD Set 1.1: A 20 ASN : amide:sc= 1.94 K(o=2.3,f=-5.1!) USER MOD Set 1.2: A 23 THR OG1 : rot -57:sc= 0.382 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -131:sc= 0 (180deg=-0.0212) USER MOD Single : A 15 THR OG1 : rot 85:sc= 1.08 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc=-0.00124 X(o=-0.0012,f=-0.21) USER MOD Single : A 24 ASN : amide:sc= 0.604 K(o=0.6,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.961 K(o=0.96,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.447 5.370 -23.885 1.00 0.00 N ATOM 2 CA LYS A 1 -14.266 5.678 -23.030 1.00 0.00 C ATOM 3 C LYS A 1 -13.282 4.502 -22.977 1.00 0.00 C ATOM 4 O LYS A 1 -12.191 4.605 -23.541 1.00 0.00 O ATOM 5 CB LYS A 1 -14.685 6.188 -21.632 1.00 0.00 C ATOM 6 CG LYS A 1 -13.490 6.735 -20.828 1.00 0.00 C ATOM 7 CD LYS A 1 -13.924 7.193 -19.428 1.00 0.00 C ATOM 8 CE LYS A 1 -12.734 7.649 -18.570 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.148 8.930 -19.049 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.090 6.188 -23.897 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.130 5.165 -24.854 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.947 4.542 -23.502 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.726 6.501 -23.497 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.435 6.971 -21.743 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.153 5.375 -21.076 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.724 5.964 -20.740 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -13.040 7.571 -21.364 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.637 8.012 -19.521 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.440 6.376 -18.924 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -13.058 7.765 -17.536 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.966 6.876 -18.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.349 9.196 -18.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.813 8.814 -20.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.872 9.676 -19.017 1.00 0.00 H new ATOM 25 N LEU A 2 -13.640 3.388 -22.324 1.00 0.00 N ATOM 26 CA LEU A 2 -12.864 2.136 -22.313 1.00 0.00 C ATOM 27 C LEU A 2 -13.354 1.155 -23.413 1.00 0.00 C ATOM 28 O LEU A 2 -14.464 1.340 -23.928 1.00 0.00 O ATOM 29 CB LEU A 2 -12.909 1.484 -20.910 1.00 0.00 C ATOM 30 CG LEU A 2 -12.370 2.262 -19.691 1.00 0.00 C ATOM 31 CD1 LEU A 2 -11.145 3.121 -20.003 1.00 0.00 C ATOM 32 CD2 LEU A 2 -13.434 3.123 -19.013 1.00 0.00 C ATOM 0 H LEU A 2 -14.498 3.329 -21.775 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.826 2.378 -22.540 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -13.948 1.230 -20.701 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.357 0.546 -20.968 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.062 1.479 -18.998 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.823 3.638 -19.099 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.337 2.485 -20.365 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.400 3.854 -20.768 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.993 3.645 -18.164 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.821 3.852 -19.725 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.249 2.488 -18.666 1.00 0.00 H new ATOM 44 N PRO A 3 -12.578 0.111 -23.781 1.00 0.00 N ATOM 45 CA PRO A 3 -13.012 -0.924 -24.729 1.00 0.00 C ATOM 46 C PRO A 3 -14.134 -1.824 -24.158 1.00 0.00 C ATOM 47 O PRO A 3 -14.424 -1.764 -22.957 1.00 0.00 O ATOM 48 CB PRO A 3 -11.756 -1.740 -25.084 1.00 0.00 C ATOM 49 CG PRO A 3 -10.583 -0.985 -24.461 1.00 0.00 C ATOM 50 CD PRO A 3 -11.216 -0.160 -23.350 1.00 0.00 C ATOM 0 HA PRO A 3 -13.449 -0.464 -25.615 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.823 -2.754 -24.689 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.637 -1.826 -26.164 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.832 -1.670 -24.069 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.084 -0.350 -25.193 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.206 -0.704 -22.406 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.665 0.767 -23.190 1.00 0.00 H new ATOM 58 N PRO A 4 -14.753 -2.701 -24.976 1.00 0.00 N ATOM 59 CA PRO A 4 -15.825 -3.601 -24.542 1.00 0.00 C ATOM 60 C PRO A 4 -15.481 -4.448 -23.306 1.00 0.00 C ATOM 61 O PRO A 4 -14.422 -5.076 -23.224 1.00 0.00 O ATOM 62 CB PRO A 4 -16.152 -4.475 -25.757 1.00 0.00 C ATOM 63 CG PRO A 4 -15.824 -3.544 -26.920 1.00 0.00 C ATOM 64 CD PRO A 4 -14.579 -2.814 -26.418 1.00 0.00 C ATOM 0 HA PRO A 4 -16.683 -3.015 -24.212 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.549 -5.383 -25.780 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -17.197 -4.786 -25.766 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -15.628 -4.096 -27.839 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.641 -2.854 -27.131 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.673 -3.369 -26.662 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.486 -1.832 -26.881 1.00 0.00 H new ATOM 72 N GLY A 5 -16.402 -4.466 -22.339 1.00 0.00 N ATOM 73 CA GLY A 5 -16.297 -5.213 -21.080 1.00 0.00 C ATOM 74 C GLY A 5 -15.454 -4.564 -19.973 1.00 0.00 C ATOM 75 O GLY A 5 -15.526 -5.028 -18.835 1.00 0.00 O ATOM 0 H GLY A 5 -17.274 -3.942 -22.413 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.303 -5.375 -20.693 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.877 -6.195 -21.299 1.00 0.00 H new ATOM 79 N TRP A 6 -14.682 -3.507 -20.251 1.00 0.00 N ATOM 80 CA TRP A 6 -13.863 -2.809 -19.247 1.00 0.00 C ATOM 81 C TRP A 6 -14.661 -1.767 -18.444 1.00 0.00 C ATOM 82 O TRP A 6 -15.479 -1.026 -18.992 1.00 0.00 O ATOM 83 CB TRP A 6 -12.655 -2.141 -19.910 1.00 0.00 C ATOM 84 CG TRP A 6 -11.608 -3.044 -20.490 1.00 0.00 C ATOM 85 CD1 TRP A 6 -11.564 -3.438 -21.781 1.00 0.00 C ATOM 86 CD2 TRP A 6 -10.432 -3.644 -19.854 1.00 0.00 C ATOM 87 NE1 TRP A 6 -10.432 -4.190 -22.007 1.00 0.00 N ATOM 88 CE2 TRP A 6 -9.709 -4.374 -20.849 1.00 0.00 C ATOM 89 CE3 TRP A 6 -9.881 -3.626 -18.550 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -8.520 -5.061 -20.567 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -8.679 -4.306 -18.260 1.00 0.00 C ATOM 92 CH2 TRP A 6 -8.005 -5.029 -19.261 1.00 0.00 C ATOM 0 H TRP A 6 -14.606 -3.107 -21.186 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.523 -3.568 -18.542 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -13.022 -1.493 -20.706 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -12.176 -1.499 -19.171 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -12.307 -3.199 -22.527 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -10.163 -4.564 -22.917 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -10.388 -3.084 -17.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -8.007 -5.608 -21.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -8.273 -4.271 -17.260 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -7.093 -5.558 -19.026 1.00 0.00 H new ATOM 103 N GLU A 7 -14.372 -1.669 -17.146 1.00 0.00 N ATOM 104 CA GLU A 7 -14.919 -0.675 -16.213 1.00 0.00 C ATOM 105 C GLU A 7 -13.893 -0.326 -15.112 1.00 0.00 C ATOM 106 O GLU A 7 -13.002 -1.125 -14.807 1.00 0.00 O ATOM 107 CB GLU A 7 -16.237 -1.224 -15.628 1.00 0.00 C ATOM 108 CG GLU A 7 -17.014 -0.202 -14.784 1.00 0.00 C ATOM 109 CD GLU A 7 -18.470 -0.638 -14.506 1.00 0.00 C ATOM 110 OE1 GLU A 7 -19.376 0.233 -14.509 1.00 0.00 O ATOM 111 OE2 GLU A 7 -18.731 -1.844 -14.258 1.00 0.00 O ATOM 0 H GLU A 7 -13.720 -2.309 -16.692 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.129 0.256 -16.740 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.873 -1.564 -16.446 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.015 -2.096 -15.013 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.497 -0.053 -13.836 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.019 0.759 -15.299 1.00 0.00 H new ATOM 118 N LYS A 8 -14.003 0.863 -14.500 1.00 0.00 N ATOM 119 CA LYS A 8 -13.170 1.270 -13.357 1.00 0.00 C ATOM 120 C LYS A 8 -13.502 0.469 -12.095 1.00 0.00 C ATOM 121 O LYS A 8 -14.661 0.145 -11.817 1.00 0.00 O ATOM 122 CB LYS A 8 -13.283 2.780 -13.090 1.00 0.00 C ATOM 123 CG LYS A 8 -12.459 3.552 -14.126 1.00 0.00 C ATOM 124 CD LYS A 8 -12.589 5.076 -14.007 1.00 0.00 C ATOM 125 CE LYS A 8 -11.875 5.597 -12.754 1.00 0.00 C ATOM 126 NZ LYS A 8 -11.975 7.075 -12.643 1.00 0.00 N ATOM 0 H LYS A 8 -14.676 1.574 -14.786 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.136 1.050 -13.624 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.327 3.090 -13.137 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.928 3.009 -12.085 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.410 3.277 -14.021 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.770 3.247 -15.125 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.167 5.550 -14.893 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.643 5.352 -13.970 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.310 5.135 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.826 5.304 -12.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.481 7.393 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.538 7.516 -13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.976 7.352 -12.589 1.00 0.00 H new ATOM 140 N ARG A 9 -12.457 0.187 -11.324 1.00 0.00 N ATOM 141 CA ARG A 9 -12.458 -0.590 -10.070 1.00 0.00 C ATOM 142 C ARG A 9 -11.406 -0.035 -9.091 1.00 0.00 C ATOM 143 O ARG A 9 -10.604 0.821 -9.467 1.00 0.00 O ATOM 144 CB ARG A 9 -12.253 -2.074 -10.443 1.00 0.00 C ATOM 145 CG ARG A 9 -12.672 -3.057 -9.339 1.00 0.00 C ATOM 146 CD ARG A 9 -12.791 -4.486 -9.887 1.00 0.00 C ATOM 147 NE ARG A 9 -13.113 -5.440 -8.808 1.00 0.00 N ATOM 148 CZ ARG A 9 -13.352 -6.733 -8.936 1.00 0.00 C ATOM 149 NH1 ARG A 9 -13.609 -7.458 -7.886 1.00 0.00 N ATOM 150 NH2 ARG A 9 -13.342 -7.337 -10.090 1.00 0.00 N ATOM 0 H ARG A 9 -11.521 0.512 -11.566 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.407 -0.504 -9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.822 -2.293 -11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.202 -2.237 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.941 -3.034 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.627 -2.746 -8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.566 -4.522 -10.653 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.855 -4.775 -10.366 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.156 -5.060 -7.862 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.626 -7.028 -6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.793 -8.456 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.144 -6.809 -10.940 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.532 -8.338 -10.144 1.00 0.00 H new ATOM 164 N MET A 10 -11.406 -0.475 -7.831 1.00 0.00 N ATOM 165 CA MET A 10 -10.546 0.095 -6.783 1.00 0.00 C ATOM 166 C MET A 10 -10.257 -0.908 -5.655 1.00 0.00 C ATOM 167 O MET A 10 -11.145 -1.640 -5.212 1.00 0.00 O ATOM 168 CB MET A 10 -11.217 1.363 -6.218 1.00 0.00 C ATOM 169 CG MET A 10 -10.282 2.202 -5.338 1.00 0.00 C ATOM 170 SD MET A 10 -11.067 3.603 -4.495 1.00 0.00 S ATOM 171 CE MET A 10 -11.965 2.724 -3.185 1.00 0.00 C ATOM 0 H MET A 10 -12.001 -1.237 -7.505 1.00 0.00 H new ATOM 0 HA MET A 10 -9.585 0.347 -7.231 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.574 1.976 -7.045 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.092 1.074 -5.635 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.835 1.551 -4.587 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.469 2.580 -5.957 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.998 3.070 -3.157 1.00 0.00 H new ATOM 0 HE2 MET A 10 -11.946 1.653 -3.387 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.490 2.921 -2.224 1.00 0.00 H new ATOM 181 N PHE A 11 -9.008 -0.925 -5.182 1.00 0.00 N ATOM 182 CA PHE A 11 -8.554 -1.704 -4.025 1.00 0.00 C ATOM 183 C PHE A 11 -9.008 -1.076 -2.694 1.00 0.00 C ATOM 184 O PHE A 11 -9.231 0.134 -2.602 1.00 0.00 O ATOM 185 CB PHE A 11 -7.021 -1.828 -4.065 1.00 0.00 C ATOM 186 CG PHE A 11 -6.471 -2.667 -5.205 1.00 0.00 C ATOM 187 CD1 PHE A 11 -5.949 -2.054 -6.361 1.00 0.00 C ATOM 188 CD2 PHE A 11 -6.443 -4.069 -5.093 1.00 0.00 C ATOM 189 CE1 PHE A 11 -5.411 -2.838 -7.398 1.00 0.00 C ATOM 190 CE2 PHE A 11 -5.902 -4.854 -6.127 1.00 0.00 C ATOM 191 CZ PHE A 11 -5.386 -4.238 -7.281 1.00 0.00 C ATOM 0 H PHE A 11 -8.259 -0.379 -5.608 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.006 -2.694 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.593 -0.828 -4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.682 -2.258 -3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.962 -0.978 -6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.839 -4.545 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.017 -2.363 -8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.883 -5.930 -6.035 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.971 -4.840 -8.076 1.00 0.00 H new ATOM 201 N ALA A 12 -9.070 -1.880 -1.626 1.00 0.00 N ATOM 202 CA ALA A 12 -9.472 -1.436 -0.283 1.00 0.00 C ATOM 203 C ALA A 12 -8.534 -0.375 0.343 1.00 0.00 C ATOM 204 O ALA A 12 -8.931 0.337 1.268 1.00 0.00 O ATOM 205 CB ALA A 12 -9.581 -2.681 0.607 1.00 0.00 C ATOM 0 H ALA A 12 -8.839 -2.873 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.432 -0.927 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.878 -2.384 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.327 -3.360 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.615 -3.185 0.648 1.00 0.00 H new ATOM 211 N ASN A 13 -7.308 -0.235 -0.179 1.00 0.00 N ATOM 212 CA ASN A 13 -6.342 0.808 0.196 1.00 0.00 C ATOM 213 C ASN A 13 -6.573 2.171 -0.507 1.00 0.00 C ATOM 214 O ASN A 13 -5.843 3.129 -0.240 1.00 0.00 O ATOM 215 CB ASN A 13 -4.914 0.260 -0.016 1.00 0.00 C ATOM 216 CG ASN A 13 -4.557 -0.044 -1.467 1.00 0.00 C ATOM 217 OD1 ASN A 13 -5.104 0.550 -2.393 1.00 0.00 O ATOM 218 ND2 ASN A 13 -3.655 -0.987 -1.678 1.00 0.00 N ATOM 0 H ASN A 13 -6.949 -0.864 -0.897 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.490 1.039 1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.200 0.984 0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.798 -0.651 0.571 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.219 -1.462 -0.887 1.00 0.00 H new ATOM 224 N GLY A 14 -7.566 2.273 -1.403 1.00 0.00 N ATOM 225 CA GLY A 14 -7.895 3.491 -2.156 1.00 0.00 C ATOM 226 C GLY A 14 -7.182 3.650 -3.508 1.00 0.00 C ATOM 227 O GLY A 14 -7.186 4.751 -4.065 1.00 0.00 O ATOM 0 H GLY A 14 -8.178 1.489 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.971 3.510 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.656 4.355 -1.536 1.00 0.00 H new ATOM 231 N THR A 15 -6.583 2.585 -4.058 1.00 0.00 N ATOM 232 CA THR A 15 -5.861 2.620 -5.350 1.00 0.00 C ATOM 233 C THR A 15 -6.784 2.191 -6.491 1.00 0.00 C ATOM 234 O THR A 15 -7.392 1.123 -6.428 1.00 0.00 O ATOM 235 CB THR A 15 -4.608 1.726 -5.325 1.00 0.00 C ATOM 236 OG1 THR A 15 -3.772 2.089 -4.250 1.00 0.00 O ATOM 237 CG2 THR A 15 -3.771 1.824 -6.602 1.00 0.00 C ATOM 0 H THR A 15 -6.582 1.664 -3.620 1.00 0.00 H new ATOM 0 HA THR A 15 -5.539 3.648 -5.516 1.00 0.00 H new ATOM 0 HB THR A 15 -4.977 0.705 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.073 1.637 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.903 1.170 -6.519 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.375 1.520 -7.457 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.438 2.853 -6.741 1.00 0.00 H new ATOM 245 N VAL A 16 -6.892 3.010 -7.542 1.00 0.00 N ATOM 246 CA VAL A 16 -7.833 2.827 -8.663 1.00 0.00 C ATOM 247 C VAL A 16 -7.169 2.095 -9.835 1.00 0.00 C ATOM 248 O VAL A 16 -5.993 2.315 -10.135 1.00 0.00 O ATOM 249 CB VAL A 16 -8.418 4.193 -9.090 1.00 0.00 C ATOM 250 CG1 VAL A 16 -9.274 4.132 -10.361 1.00 0.00 C ATOM 251 CG2 VAL A 16 -9.298 4.776 -7.976 1.00 0.00 C ATOM 0 H VAL A 16 -6.313 3.844 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.657 2.196 -8.329 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.549 4.820 -9.290 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.648 5.128 -10.596 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.668 3.767 -11.190 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.115 3.457 -10.201 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.700 5.737 -8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.119 4.091 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.700 4.914 -7.075 1.00 0.00 H new ATOM 261 N TYR A 17 -7.930 1.223 -10.497 1.00 0.00 N ATOM 262 CA TYR A 17 -7.517 0.421 -11.653 1.00 0.00 C ATOM 263 C TYR A 17 -8.705 0.143 -12.598 1.00 0.00 C ATOM 264 O TYR A 17 -9.824 0.613 -12.374 1.00 0.00 O ATOM 265 CB TYR A 17 -6.848 -0.873 -11.150 1.00 0.00 C ATOM 266 CG TYR A 17 -7.744 -1.893 -10.466 1.00 0.00 C ATOM 267 CD1 TYR A 17 -8.044 -1.767 -9.095 1.00 0.00 C ATOM 268 CD2 TYR A 17 -8.198 -3.024 -11.178 1.00 0.00 C ATOM 269 CE1 TYR A 17 -8.749 -2.788 -8.429 1.00 0.00 C ATOM 270 CE2 TYR A 17 -8.921 -4.037 -10.519 1.00 0.00 C ATOM 271 CZ TYR A 17 -9.171 -3.933 -9.134 1.00 0.00 C ATOM 272 OH TYR A 17 -9.806 -4.936 -8.469 1.00 0.00 O ATOM 0 H TYR A 17 -8.899 1.047 -10.230 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.790 0.978 -12.245 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.369 -1.359 -12.000 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.057 -0.596 -10.453 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.733 -0.886 -8.554 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.990 -3.113 -12.234 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.967 -2.693 -7.375 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.283 -4.891 -11.072 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.033 -5.653 -9.097 1.00 0.00 H new ATOM 282 N TYR A 18 -8.469 -0.619 -13.666 1.00 0.00 N ATOM 283 CA TYR A 18 -9.464 -1.016 -14.666 1.00 0.00 C ATOM 284 C TYR A 18 -9.583 -2.544 -14.722 1.00 0.00 C ATOM 285 O TYR A 18 -8.575 -3.254 -14.710 1.00 0.00 O ATOM 286 CB TYR A 18 -9.092 -0.428 -16.034 1.00 0.00 C ATOM 287 CG TYR A 18 -8.984 1.088 -16.038 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.094 1.875 -16.403 1.00 0.00 C ATOM 289 CD2 TYR A 18 -7.785 1.711 -15.641 1.00 0.00 C ATOM 290 CE1 TYR A 18 -10.013 3.278 -16.337 1.00 0.00 C ATOM 291 CE2 TYR A 18 -7.704 3.115 -15.563 1.00 0.00 C ATOM 292 CZ TYR A 18 -8.825 3.903 -15.903 1.00 0.00 C ATOM 293 OH TYR A 18 -8.769 5.259 -15.813 1.00 0.00 O ATOM 0 H TYR A 18 -7.542 -0.993 -13.868 1.00 0.00 H new ATOM 0 HA TYR A 18 -10.439 -0.620 -14.382 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -8.141 -0.852 -16.355 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -9.840 -0.732 -16.766 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.007 1.402 -16.733 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.923 1.109 -15.395 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.864 3.879 -16.620 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.787 3.588 -15.244 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.881 5.530 -15.498 1.00 0.00 H new ATOM 303 N PHE A 19 -10.813 -3.051 -14.793 1.00 0.00 N ATOM 304 CA PHE A 19 -11.138 -4.480 -14.794 1.00 0.00 C ATOM 305 C PHE A 19 -12.119 -4.821 -15.921 1.00 0.00 C ATOM 306 O PHE A 19 -13.065 -4.074 -16.175 1.00 0.00 O ATOM 307 CB PHE A 19 -11.678 -4.868 -13.408 1.00 0.00 C ATOM 308 CG PHE A 19 -12.352 -6.227 -13.334 1.00 0.00 C ATOM 309 CD1 PHE A 19 -11.577 -7.387 -13.147 1.00 0.00 C ATOM 310 CD2 PHE A 19 -13.754 -6.339 -13.444 1.00 0.00 C ATOM 311 CE1 PHE A 19 -12.194 -8.649 -13.075 1.00 0.00 C ATOM 312 CE2 PHE A 19 -14.371 -7.600 -13.357 1.00 0.00 C ATOM 313 CZ PHE A 19 -13.591 -8.757 -13.180 1.00 0.00 C ATOM 0 H PHE A 19 -11.641 -2.459 -14.854 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.239 -5.064 -14.989 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.853 -4.850 -12.696 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.391 -4.109 -13.088 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.504 -7.308 -13.058 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -14.355 -5.454 -13.595 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.593 -9.536 -12.939 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.446 -7.680 -13.426 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.065 -9.726 -13.125 1.00 0.00 H new ATOM 323 N ASN A 20 -11.900 -5.951 -16.593 1.00 0.00 N ATOM 324 CA ASN A 20 -12.746 -6.451 -17.672 1.00 0.00 C ATOM 325 C ASN A 20 -13.671 -7.569 -17.164 1.00 0.00 C ATOM 326 O ASN A 20 -13.207 -8.657 -16.822 1.00 0.00 O ATOM 327 CB ASN A 20 -11.857 -6.897 -18.840 1.00 0.00 C ATOM 328 CG ASN A 20 -12.690 -7.195 -20.070 1.00 0.00 C ATOM 329 OD1 ASN A 20 -13.322 -8.238 -20.168 1.00 0.00 O ATOM 330 ND2 ASN A 20 -12.727 -6.307 -21.032 1.00 0.00 N ATOM 0 H ASN A 20 -11.106 -6.560 -16.395 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.401 -5.658 -18.034 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.131 -6.117 -19.068 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.292 -7.785 -18.554 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.285 -6.483 -21.868 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.198 -5.439 -20.945 1.00 0.00 H new ATOM 337 N HIS A 21 -14.984 -7.325 -17.140 1.00 0.00 N ATOM 338 CA HIS A 21 -15.956 -8.255 -16.543 1.00 0.00 C ATOM 339 C HIS A 21 -16.234 -9.499 -17.407 1.00 0.00 C ATOM 340 O HIS A 21 -16.667 -10.530 -16.889 1.00 0.00 O ATOM 341 CB HIS A 21 -17.237 -7.487 -16.165 1.00 0.00 C ATOM 342 CG HIS A 21 -18.288 -7.399 -17.253 1.00 0.00 C ATOM 343 ND1 HIS A 21 -19.240 -8.383 -17.539 1.00 0.00 N ATOM 344 CD2 HIS A 21 -18.477 -6.350 -18.107 1.00 0.00 C ATOM 345 CE1 HIS A 21 -19.980 -7.904 -18.554 1.00 0.00 C ATOM 346 NE2 HIS A 21 -19.544 -6.686 -18.914 1.00 0.00 N ATOM 0 H HIS A 21 -15.405 -6.482 -17.531 1.00 0.00 H new ATOM 0 HA HIS A 21 -15.513 -8.662 -15.634 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -17.682 -7.964 -15.292 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -16.960 -6.475 -15.869 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -17.903 -5.436 -18.143 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -20.807 -8.424 -19.014 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -19.935 -6.108 -19.658 1.00 0.00 H new ATOM 354 N ILE A 22 -15.938 -9.422 -18.710 1.00 0.00 N ATOM 355 CA ILE A 22 -16.177 -10.490 -19.696 1.00 0.00 C ATOM 356 C ILE A 22 -15.036 -11.524 -19.682 1.00 0.00 C ATOM 357 O ILE A 22 -15.280 -12.727 -19.796 1.00 0.00 O ATOM 358 CB ILE A 22 -16.397 -9.863 -21.098 1.00 0.00 C ATOM 359 CG1 ILE A 22 -17.605 -8.893 -21.069 1.00 0.00 C ATOM 360 CG2 ILE A 22 -16.591 -10.948 -22.176 1.00 0.00 C ATOM 361 CD1 ILE A 22 -17.868 -8.140 -22.378 1.00 0.00 C ATOM 0 H ILE A 22 -15.513 -8.592 -19.122 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.083 -11.034 -19.428 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.502 -9.298 -21.360 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.499 -9.459 -20.808 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.446 -8.164 -20.274 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.743 -10.474 -23.146 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.706 -11.583 -22.217 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -17.462 -11.555 -21.929 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.733 -7.488 -22.255 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -16.995 -7.540 -22.635 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.064 -8.856 -23.176 1.00 0.00 H new ATOM 373 N THR A 23 -13.792 -11.060 -19.511 1.00 0.00 N ATOM 374 CA THR A 23 -12.557 -11.874 -19.597 1.00 0.00 C ATOM 375 C THR A 23 -11.816 -12.048 -18.261 1.00 0.00 C ATOM 376 O THR A 23 -10.839 -12.796 -18.192 1.00 0.00 O ATOM 377 CB THR A 23 -11.593 -11.297 -20.648 1.00 0.00 C ATOM 378 OG1 THR A 23 -11.166 -10.010 -20.266 1.00 0.00 O ATOM 379 CG2 THR A 23 -12.217 -11.177 -22.039 1.00 0.00 C ATOM 0 H THR A 23 -13.603 -10.080 -19.302 1.00 0.00 H new ATOM 0 HA THR A 23 -12.894 -12.867 -19.895 1.00 0.00 H new ATOM 0 HB THR A 23 -10.761 -11.999 -20.699 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.946 -9.429 -20.146 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.484 -10.764 -22.732 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.528 -12.163 -22.385 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.085 -10.519 -21.993 1.00 0.00 H new ATOM 387 N ASN A 24 -12.270 -11.378 -17.193 1.00 0.00 N ATOM 388 CA ASN A 24 -11.651 -11.336 -15.858 1.00 0.00 C ATOM 389 C ASN A 24 -10.203 -10.771 -15.841 1.00 0.00 C ATOM 390 O ASN A 24 -9.432 -11.040 -14.915 1.00 0.00 O ATOM 391 CB ASN A 24 -11.845 -12.702 -15.160 1.00 0.00 C ATOM 392 CG ASN A 24 -12.023 -12.603 -13.651 1.00 0.00 C ATOM 393 OD1 ASN A 24 -13.093 -12.846 -13.110 1.00 0.00 O ATOM 394 ND2 ASN A 24 -10.994 -12.247 -12.918 1.00 0.00 N ATOM 0 H ASN A 24 -13.123 -10.821 -17.238 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.173 -10.593 -15.256 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.717 -13.197 -15.587 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.983 -13.334 -15.374 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.090 -12.175 -11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.098 -12.043 -13.361 1.00 0.00 H new ATOM 401 N ALA A 25 -9.820 -9.986 -16.855 1.00 0.00 N ATOM 402 CA ALA A 25 -8.537 -9.278 -16.918 1.00 0.00 C ATOM 403 C ALA A 25 -8.541 -7.986 -16.071 1.00 0.00 C ATOM 404 O ALA A 25 -9.601 -7.428 -15.780 1.00 0.00 O ATOM 405 CB ALA A 25 -8.207 -8.995 -18.391 1.00 0.00 C ATOM 0 H ALA A 25 -10.407 -9.822 -17.673 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.760 -9.909 -16.486 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.255 -8.468 -18.456 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.139 -9.937 -18.936 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.993 -8.379 -18.828 1.00 0.00 H new ATOM 411 N SER A 26 -7.362 -7.482 -15.692 1.00 0.00 N ATOM 412 CA SER A 26 -7.207 -6.187 -15.006 1.00 0.00 C ATOM 413 C SER A 26 -5.870 -5.500 -15.318 1.00 0.00 C ATOM 414 O SER A 26 -4.865 -6.168 -15.586 1.00 0.00 O ATOM 415 CB SER A 26 -7.384 -6.334 -13.488 1.00 0.00 C ATOM 416 OG SER A 26 -6.421 -7.205 -12.918 1.00 0.00 O ATOM 0 H SER A 26 -6.477 -7.963 -15.853 1.00 0.00 H new ATOM 0 HA SER A 26 -7.998 -5.546 -15.395 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.307 -5.353 -13.018 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.384 -6.712 -13.275 1.00 0.00 H new ATOM 0 HG SER A 26 -6.569 -7.268 -11.951 1.00 0.00 H new ATOM 422 N GLN A 27 -5.857 -4.163 -15.294 1.00 0.00 N ATOM 423 CA GLN A 27 -4.666 -3.327 -15.502 1.00 0.00 C ATOM 424 C GLN A 27 -4.790 -1.954 -14.806 1.00 0.00 C ATOM 425 O GLN A 27 -5.897 -1.476 -14.555 1.00 0.00 O ATOM 426 CB GLN A 27 -4.384 -3.205 -17.011 1.00 0.00 C ATOM 427 CG GLN A 27 -5.425 -2.444 -17.839 1.00 0.00 C ATOM 428 CD GLN A 27 -4.886 -2.195 -19.245 1.00 0.00 C ATOM 429 OE1 GLN A 27 -4.973 -3.026 -20.140 1.00 0.00 O ATOM 430 NE2 GLN A 27 -4.275 -1.058 -19.485 1.00 0.00 N ATOM 0 H GLN A 27 -6.700 -3.614 -15.124 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.809 -3.811 -15.033 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.420 -2.714 -17.140 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.288 -4.210 -17.423 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.351 -3.017 -17.891 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.663 -1.495 -17.358 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.195 -0.357 -18.749 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.880 -0.876 -20.408 1.00 0.00 H new ATOM 439 N PHE A 28 -3.663 -1.322 -14.461 1.00 0.00 N ATOM 440 CA PHE A 28 -3.621 -0.109 -13.633 1.00 0.00 C ATOM 441 C PHE A 28 -3.826 1.190 -14.438 1.00 0.00 C ATOM 442 O PHE A 28 -4.648 2.031 -14.067 1.00 0.00 O ATOM 443 CB PHE A 28 -2.295 -0.111 -12.860 1.00 0.00 C ATOM 444 CG PHE A 28 -1.988 1.193 -12.154 1.00 0.00 C ATOM 445 CD1 PHE A 28 -1.155 2.140 -12.780 1.00 0.00 C ATOM 446 CD2 PHE A 28 -2.556 1.476 -10.899 1.00 0.00 C ATOM 447 CE1 PHE A 28 -0.890 3.370 -12.151 1.00 0.00 C ATOM 448 CE2 PHE A 28 -2.286 2.704 -10.268 1.00 0.00 C ATOM 449 CZ PHE A 28 -1.453 3.650 -10.893 1.00 0.00 C ATOM 0 H PHE A 28 -2.740 -1.643 -14.753 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.460 -0.128 -12.938 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.318 -0.914 -12.123 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.484 -0.337 -13.552 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.719 1.922 -13.744 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.198 0.752 -10.420 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.255 4.098 -12.633 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.719 2.921 -9.303 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.246 4.592 -10.406 1.00 0.00 H new ATOM 459 N GLU A 29 -3.109 1.347 -15.552 1.00 0.00 N ATOM 460 CA GLU A 29 -3.326 2.412 -16.544 1.00 0.00 C ATOM 461 C GLU A 29 -4.501 2.051 -17.474 1.00 0.00 C ATOM 462 O GLU A 29 -4.883 0.881 -17.550 1.00 0.00 O ATOM 463 CB GLU A 29 -2.022 2.702 -17.311 1.00 0.00 C ATOM 464 CG GLU A 29 -1.479 1.561 -18.192 1.00 0.00 C ATOM 465 CD GLU A 29 -0.626 0.545 -17.401 1.00 0.00 C ATOM 466 OE1 GLU A 29 -1.197 -0.370 -16.755 1.00 0.00 O ATOM 467 OE2 GLU A 29 0.626 0.648 -17.425 1.00 0.00 O ATOM 0 H GLU A 29 -2.341 0.723 -15.799 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.603 3.334 -16.032 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.184 3.575 -17.944 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.252 2.971 -16.588 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.315 1.040 -18.659 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.878 1.985 -18.996 1.00 0.00 H new ATOM 474 N ARG A 30 -5.100 3.018 -18.187 1.00 0.00 N ATOM 475 CA ARG A 30 -6.358 2.755 -18.914 1.00 0.00 C ATOM 476 C ARG A 30 -6.221 1.762 -20.092 1.00 0.00 C ATOM 477 O ARG A 30 -5.229 1.813 -20.827 1.00 0.00 O ATOM 478 CB ARG A 30 -7.146 4.042 -19.233 1.00 0.00 C ATOM 479 CG ARG A 30 -6.518 5.108 -20.148 1.00 0.00 C ATOM 480 CD ARG A 30 -6.285 4.738 -21.622 1.00 0.00 C ATOM 481 NE ARG A 30 -7.434 4.057 -22.253 1.00 0.00 N ATOM 482 CZ ARG A 30 -8.583 4.571 -22.648 1.00 0.00 C ATOM 483 NH1 ARG A 30 -8.887 5.831 -22.519 1.00 0.00 N ATOM 484 NH2 ARG A 30 -9.464 3.790 -23.193 1.00 0.00 N ATOM 0 H ARG A 30 -4.745 3.970 -18.277 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.990 2.210 -18.213 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.093 3.742 -19.683 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.382 4.524 -18.284 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.156 5.991 -20.121 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.558 5.395 -19.719 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.058 5.644 -22.183 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.409 4.093 -21.691 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.324 3.054 -22.404 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.220 6.476 -22.094 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.792 6.173 -22.843 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.262 2.797 -23.310 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.358 4.169 -23.505 1.00 0.00 H new ATOM 498 N PRO A 31 -7.195 0.851 -20.286 1.00 0.00 N ATOM 499 CA PRO A 31 -7.164 -0.200 -21.307 1.00 0.00 C ATOM 500 C PRO A 31 -7.380 0.330 -22.730 1.00 0.00 C ATOM 501 O PRO A 31 -8.086 1.320 -22.934 1.00 0.00 O ATOM 502 CB PRO A 31 -8.255 -1.195 -20.899 1.00 0.00 C ATOM 503 CG PRO A 31 -9.259 -0.319 -20.152 1.00 0.00 C ATOM 504 CD PRO A 31 -8.353 0.665 -19.428 1.00 0.00 C ATOM 0 HA PRO A 31 -6.179 -0.665 -21.347 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.707 -1.676 -21.766 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.861 -1.988 -20.264 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.945 0.185 -20.833 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.867 -0.899 -19.458 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.865 1.611 -19.254 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.058 0.278 -18.453 1.00 0.00 H new ATOM 512 N SER A 32 -6.790 -0.350 -23.718 1.00 0.00 N ATOM 513 CA SER A 32 -6.849 0.019 -25.149 1.00 0.00 C ATOM 514 C SER A 32 -7.261 -1.137 -26.086 1.00 0.00 C ATOM 515 O SER A 32 -7.268 -0.967 -27.308 1.00 0.00 O ATOM 516 CB SER A 32 -5.507 0.620 -25.597 1.00 0.00 C ATOM 517 OG SER A 32 -5.161 1.752 -24.812 1.00 0.00 O ATOM 0 H SER A 32 -6.243 -1.194 -23.548 1.00 0.00 H new ATOM 0 HA SER A 32 -7.641 0.763 -25.234 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.724 -0.134 -25.517 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.567 0.907 -26.647 1.00 0.00 H new ATOM 0 HG SER A 32 -4.303 2.112 -25.118 1.00 0.00 H new ATOM 523 N GLY A 33 -7.615 -2.308 -25.536 1.00 0.00 N ATOM 524 CA GLY A 33 -8.097 -3.487 -26.277 1.00 0.00 C ATOM 525 C GLY A 33 -8.315 -4.706 -25.380 1.00 0.00 C ATOM 526 O GLY A 33 -9.285 -4.693 -24.589 1.00 0.00 O ATOM 527 OXT GLY A 33 -7.511 -5.661 -25.472 1.00 0.00 O ATOM 0 H GLY A 33 -7.573 -2.467 -24.529 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.033 -3.238 -26.777 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.377 -3.739 -27.056 1.00 0.00 H new TER 531 GLY A 33 HETATM 532 C1 4N2 A 101 -3.047 -1.239 -2.968 1.00 0.00 C HETATM 533 C2 4N2 A 101 -3.149 -2.727 -3.444 1.00 0.00 C HETATM 534 C3 4N2 A 101 -2.268 -2.925 -4.705 1.00 0.00 C HETATM 535 C4 4N2 A 101 -0.805 -2.452 -4.479 1.00 0.00 C HETATM 536 C5 4N2 A 101 -0.770 -0.988 -3.962 1.00 0.00 C HETATM 537 C6 4N2 A 101 0.655 -0.495 -3.625 1.00 0.00 C HETATM 538 O2 4N2 A 101 -2.723 -3.680 -2.410 1.00 0.00 O HETATM 539 O3 4N2 A 101 -2.829 -2.181 -5.827 1.00 0.00 O HETATM 540 O4 4N2 A 101 -0.144 -3.360 -3.544 1.00 0.00 O HETATM 541 O5 4N2 A 101 -1.649 -0.839 -2.760 1.00 0.00 O HETATM 542 O6 4N2 A 101 0.647 0.913 -3.286 1.00 0.00 O