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= 2.06 K(o=2.9,f=-5!) USER MOD Set 1.2: A 23 THR OG1 : rot -56:sc= 0.864 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 175:sc= 0 (180deg=-0.0249) USER MOD Single : A 15 THR OG1 : rot 83:sc= 1.1 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=-0.00338 X(o=-0.0034,f=-0.21) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.289 5.136 -22.774 1.00 0.00 N ATOM 2 CA LYS A 1 -16.080 5.550 -22.009 1.00 0.00 C ATOM 3 C LYS A 1 -14.923 4.563 -22.205 1.00 0.00 C ATOM 4 O LYS A 1 -13.969 4.883 -22.919 1.00 0.00 O ATOM 5 CB LYS A 1 -16.402 5.822 -20.520 1.00 0.00 C ATOM 6 CG LYS A 1 -15.204 6.420 -19.760 1.00 0.00 C ATOM 7 CD LYS A 1 -15.545 6.641 -18.278 1.00 0.00 C ATOM 8 CE LYS A 1 -14.342 7.166 -17.480 1.00 0.00 C ATOM 9 NZ LYS A 1 -14.015 8.577 -17.818 1.00 0.00 N ATOM 0 H1 LYS A 1 -18.051 5.826 -22.618 1.00 0.00 H new ATOM 0 H2 LYS A 1 -17.061 5.095 -23.788 1.00 0.00 H new ATOM 0 H3 LYS A 1 -17.600 4.198 -22.451 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.741 6.502 -22.418 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.249 6.505 -20.453 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.705 4.891 -20.041 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.346 5.753 -19.844 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.916 7.367 -20.216 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.370 7.349 -18.198 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.887 5.703 -17.841 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.555 7.090 -16.414 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.474 6.537 -17.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.197 8.888 -17.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.786 8.647 -18.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.833 9.183 -17.605 1.00 0.00 H new ATOM 25 N LEU A 2 -14.982 3.374 -21.589 1.00 0.00 N ATOM 26 CA LEU A 2 -13.984 2.304 -21.742 1.00 0.00 C ATOM 27 C LEU A 2 -14.224 1.449 -23.011 1.00 0.00 C ATOM 28 O LEU A 2 -15.353 1.421 -23.518 1.00 0.00 O ATOM 29 CB LEU A 2 -13.993 1.391 -20.495 1.00 0.00 C ATOM 30 CG LEU A 2 -13.480 1.929 -19.145 1.00 0.00 C ATOM 31 CD1 LEU A 2 -12.312 2.903 -19.283 1.00 0.00 C ATOM 32 CD2 LEU A 2 -14.586 2.576 -18.321 1.00 0.00 C ATOM 0 H LEU A 2 -15.742 3.123 -20.956 1.00 0.00 H new ATOM 0 HA LEU A 2 -13.012 2.785 -21.848 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -15.020 1.059 -20.343 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.405 0.506 -20.736 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.116 1.046 -18.619 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.002 3.242 -18.294 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.477 2.403 -19.774 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.622 3.761 -19.880 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.174 2.939 -17.380 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.012 3.411 -18.876 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.365 1.841 -18.117 1.00 0.00 H new ATOM 44 N PRO A 3 -13.201 0.727 -23.517 1.00 0.00 N ATOM 45 CA PRO A 3 -13.367 -0.278 -24.573 1.00 0.00 C ATOM 46 C PRO A 3 -14.223 -1.482 -24.101 1.00 0.00 C ATOM 47 O PRO A 3 -14.461 -1.633 -22.896 1.00 0.00 O ATOM 48 CB PRO A 3 -11.941 -0.686 -24.970 1.00 0.00 C ATOM 49 CG PRO A 3 -11.128 -0.431 -23.704 1.00 0.00 C ATOM 50 CD PRO A 3 -11.803 0.797 -23.106 1.00 0.00 C ATOM 0 HA PRO A 3 -13.914 0.121 -25.427 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.893 -1.732 -25.273 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.574 -0.094 -25.808 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.162 -1.282 -23.024 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.078 -0.245 -23.929 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.715 0.800 -22.020 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.336 1.713 -23.466 1.00 0.00 H new ATOM 58 N PRO A 4 -14.696 -2.359 -25.013 1.00 0.00 N ATOM 59 CA PRO A 4 -15.669 -3.413 -24.700 1.00 0.00 C ATOM 60 C PRO A 4 -15.302 -4.309 -23.506 1.00 0.00 C ATOM 61 O PRO A 4 -14.207 -4.874 -23.430 1.00 0.00 O ATOM 62 CB PRO A 4 -15.835 -4.217 -25.993 1.00 0.00 C ATOM 63 CG PRO A 4 -15.608 -3.154 -27.064 1.00 0.00 C ATOM 64 CD PRO A 4 -14.497 -2.300 -26.457 1.00 0.00 C ATOM 0 HA PRO A 4 -16.601 -2.955 -24.370 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.110 -5.028 -26.064 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.825 -4.667 -26.069 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -15.307 -3.594 -28.015 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.509 -2.571 -27.254 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.514 -2.683 -26.732 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.552 -1.273 -26.818 1.00 0.00 H new ATOM 72 N GLY A 5 -16.245 -4.444 -22.570 1.00 0.00 N ATOM 73 CA GLY A 5 -16.131 -5.257 -21.353 1.00 0.00 C ATOM 74 C GLY A 5 -15.355 -4.629 -20.186 1.00 0.00 C ATOM 75 O GLY A 5 -15.419 -5.167 -19.081 1.00 0.00 O ATOM 0 H GLY A 5 -17.146 -3.971 -22.641 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.136 -5.497 -21.006 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.651 -6.200 -21.615 1.00 0.00 H new ATOM 79 N TRP A 6 -14.646 -3.511 -20.379 1.00 0.00 N ATOM 80 CA TRP A 6 -13.856 -2.844 -19.332 1.00 0.00 C ATOM 81 C TRP A 6 -14.683 -1.868 -18.477 1.00 0.00 C ATOM 82 O TRP A 6 -15.595 -1.199 -18.965 1.00 0.00 O ATOM 83 CB TRP A 6 -12.643 -2.147 -19.958 1.00 0.00 C ATOM 84 CG TRP A 6 -11.566 -3.056 -20.471 1.00 0.00 C ATOM 85 CD1 TRP A 6 -11.512 -3.561 -21.725 1.00 0.00 C ATOM 86 CD2 TRP A 6 -10.399 -3.602 -19.776 1.00 0.00 C ATOM 87 NE1 TRP A 6 -10.390 -4.349 -21.866 1.00 0.00 N ATOM 88 CE2 TRP A 6 -9.667 -4.414 -20.696 1.00 0.00 C ATOM 89 CE3 TRP A 6 -9.879 -3.496 -18.466 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -8.491 -5.090 -20.338 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -8.695 -4.168 -18.099 1.00 0.00 C ATOM 92 CH2 TRP A 6 -8.002 -4.964 -19.027 1.00 0.00 C ATOM 0 H TRP A 6 -14.603 -3.035 -21.280 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.512 -3.617 -18.645 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -12.990 -1.523 -20.782 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -12.207 -1.479 -19.215 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -12.240 -3.374 -22.501 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -10.128 -4.825 -22.729 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -10.396 -2.891 -17.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -7.968 -5.699 -21.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -8.316 -4.070 -17.092 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -7.098 -5.476 -18.734 1.00 0.00 H new ATOM 103 N GLU A 7 -14.335 -1.765 -17.194 1.00 0.00 N ATOM 104 CA GLU A 7 -14.942 -0.871 -16.198 1.00 0.00 C ATOM 105 C GLU A 7 -13.912 -0.461 -15.122 1.00 0.00 C ATOM 106 O GLU A 7 -12.955 -1.198 -14.855 1.00 0.00 O ATOM 107 CB GLU A 7 -16.164 -1.589 -15.586 1.00 0.00 C ATOM 108 CG GLU A 7 -17.009 -0.784 -14.587 1.00 0.00 C ATOM 109 CD GLU A 7 -17.532 0.545 -15.170 1.00 0.00 C ATOM 110 OE1 GLU A 7 -18.718 0.611 -15.581 1.00 0.00 O ATOM 111 OE2 GLU A 7 -16.763 1.537 -15.206 1.00 0.00 O ATOM 0 H GLU A 7 -13.584 -2.330 -16.798 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.272 0.053 -16.673 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.814 -1.909 -16.401 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.813 -2.491 -15.085 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.855 -1.390 -14.265 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.411 -0.574 -13.700 1.00 0.00 H new ATOM 118 N LYS A 8 -14.094 0.703 -14.486 1.00 0.00 N ATOM 119 CA LYS A 8 -13.257 1.172 -13.369 1.00 0.00 C ATOM 120 C LYS A 8 -13.518 0.386 -12.083 1.00 0.00 C ATOM 121 O LYS A 8 -14.649 -0.003 -11.777 1.00 0.00 O ATOM 122 CB LYS A 8 -13.440 2.680 -13.130 1.00 0.00 C ATOM 123 CG LYS A 8 -12.631 3.485 -14.155 1.00 0.00 C ATOM 124 CD LYS A 8 -12.791 5.004 -14.002 1.00 0.00 C ATOM 125 CE LYS A 8 -12.131 5.508 -12.711 1.00 0.00 C ATOM 126 NZ LYS A 8 -12.246 6.983 -12.575 1.00 0.00 N ATOM 0 H LYS A 8 -14.837 1.356 -14.735 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.221 0.993 -13.656 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.496 2.941 -13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.118 2.937 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.576 3.227 -14.058 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.939 3.194 -15.159 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.346 5.507 -14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.850 5.261 -13.996 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.597 5.026 -11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.079 5.223 -12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.789 7.287 -11.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.779 7.443 -13.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.250 7.253 -12.556 1.00 0.00 H new ATOM 140 N ARG A 9 -12.440 0.188 -11.328 1.00 0.00 N ATOM 141 CA ARG A 9 -12.315 -0.603 -10.089 1.00 0.00 C ATOM 142 C ARG A 9 -11.376 0.091 -9.088 1.00 0.00 C ATOM 143 O ARG A 9 -10.656 1.024 -9.447 1.00 0.00 O ATOM 144 CB ARG A 9 -11.782 -2.006 -10.461 1.00 0.00 C ATOM 145 CG ARG A 9 -12.768 -3.167 -10.259 1.00 0.00 C ATOM 146 CD ARG A 9 -14.055 -2.995 -11.072 1.00 0.00 C ATOM 147 NE ARG A 9 -14.849 -4.236 -11.115 1.00 0.00 N ATOM 148 CZ ARG A 9 -16.081 -4.350 -11.578 1.00 0.00 C ATOM 149 NH1 ARG A 9 -16.742 -3.327 -12.044 1.00 0.00 N ATOM 150 NH2 ARG A 9 -16.679 -5.506 -11.580 1.00 0.00 N ATOM 0 H ARG A 9 -11.548 0.611 -11.584 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.289 -0.693 -9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.474 -1.992 -11.507 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.889 -2.204 -9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.285 -4.102 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.019 -3.246 -9.201 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.655 -2.195 -10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.804 -2.689 -12.088 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.408 -5.082 -10.755 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.309 -2.404 -12.059 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.692 -3.450 -12.394 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.196 -6.330 -11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.630 -5.587 -11.939 1.00 0.00 H new ATOM 164 N MET A 10 -11.355 -0.371 -7.837 1.00 0.00 N ATOM 165 CA MET A 10 -10.500 0.195 -6.782 1.00 0.00 C ATOM 166 C MET A 10 -10.186 -0.825 -5.674 1.00 0.00 C ATOM 167 O MET A 10 -11.063 -1.577 -5.240 1.00 0.00 O ATOM 168 CB MET A 10 -11.181 1.446 -6.192 1.00 0.00 C ATOM 169 CG MET A 10 -10.225 2.311 -5.359 1.00 0.00 C ATOM 170 SD MET A 10 -10.998 3.708 -4.501 1.00 0.00 S ATOM 171 CE MET A 10 -11.845 2.830 -3.156 1.00 0.00 C ATOM 0 H MET A 10 -11.931 -1.151 -7.522 1.00 0.00 H new ATOM 0 HA MET A 10 -9.546 0.470 -7.232 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.592 2.046 -7.004 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.020 1.137 -5.568 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.737 1.676 -4.620 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.444 2.695 -6.015 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.300 3.553 -2.479 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.620 2.186 -3.573 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.125 2.223 -2.608 1.00 0.00 H new ATOM 181 N PHE A 11 -8.937 -0.835 -5.201 1.00 0.00 N ATOM 182 CA PHE A 11 -8.485 -1.595 -4.030 1.00 0.00 C ATOM 183 C PHE A 11 -8.966 -0.956 -2.715 1.00 0.00 C ATOM 184 O PHE A 11 -9.178 0.256 -2.637 1.00 0.00 O ATOM 185 CB PHE A 11 -6.950 -1.698 -4.044 1.00 0.00 C ATOM 186 CG PHE A 11 -6.372 -2.558 -5.154 1.00 0.00 C ATOM 187 CD1 PHE A 11 -5.872 -1.969 -6.333 1.00 0.00 C ATOM 188 CD2 PHE A 11 -6.305 -3.955 -4.995 1.00 0.00 C ATOM 189 CE1 PHE A 11 -5.321 -2.774 -7.346 1.00 0.00 C ATOM 190 CE2 PHE A 11 -5.747 -4.758 -6.006 1.00 0.00 C ATOM 191 CZ PHE A 11 -5.257 -4.168 -7.183 1.00 0.00 C ATOM 0 H PHE A 11 -8.187 -0.297 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.920 -2.593 -4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.535 -0.694 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.620 -2.099 -3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.912 -0.897 -6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.684 -4.412 -4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.946 -2.320 -8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.695 -5.829 -5.877 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.832 -4.785 -7.961 1.00 0.00 H new ATOM 201 N ALA A 12 -9.059 -1.752 -1.644 1.00 0.00 N ATOM 202 CA ALA A 12 -9.478 -1.292 -0.311 1.00 0.00 C ATOM 203 C ALA A 12 -8.542 -0.230 0.316 1.00 0.00 C ATOM 204 O ALA A 12 -8.947 0.495 1.227 1.00 0.00 O ATOM 205 CB ALA A 12 -9.609 -2.525 0.591 1.00 0.00 C ATOM 0 H ALA A 12 -8.843 -2.748 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.434 -0.779 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.919 -2.215 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.353 -3.203 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.648 -3.035 0.652 1.00 0.00 H new ATOM 211 N ASN A 13 -7.307 -0.106 -0.190 1.00 0.00 N ATOM 212 CA ASN A 13 -6.335 0.926 0.195 1.00 0.00 C ATOM 213 C ASN A 13 -6.548 2.295 -0.503 1.00 0.00 C ATOM 214 O ASN A 13 -5.828 3.252 -0.203 1.00 0.00 O ATOM 215 CB ASN A 13 -4.912 0.362 -0.014 1.00 0.00 C ATOM 216 CG ASN A 13 -4.541 0.088 -1.467 1.00 0.00 C ATOM 217 OD1 ASN A 13 -5.028 0.747 -2.382 1.00 0.00 O ATOM 218 ND2 ASN A 13 -3.684 -0.892 -1.697 1.00 0.00 N ATOM 0 H ASN A 13 -6.946 -0.742 -0.901 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.487 1.156 1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.192 1.066 0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.817 -0.565 0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.295 -1.423 -0.918 1.00 0.00 H new ATOM 224 N GLY A 14 -7.512 2.404 -1.428 1.00 0.00 N ATOM 225 CA GLY A 14 -7.818 3.628 -2.184 1.00 0.00 C ATOM 226 C GLY A 14 -7.103 3.771 -3.539 1.00 0.00 C ATOM 227 O GLY A 14 -7.110 4.865 -4.109 1.00 0.00 O ATOM 0 H GLY A 14 -8.117 1.622 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.894 3.668 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.562 4.489 -1.566 1.00 0.00 H new ATOM 231 N THR A 15 -6.500 2.703 -4.077 1.00 0.00 N ATOM 232 CA THR A 15 -5.787 2.720 -5.374 1.00 0.00 C ATOM 233 C THR A 15 -6.716 2.268 -6.503 1.00 0.00 C ATOM 234 O THR A 15 -7.349 1.218 -6.399 1.00 0.00 O ATOM 235 CB THR A 15 -4.533 1.826 -5.345 1.00 0.00 C ATOM 236 OG1 THR A 15 -3.685 2.205 -4.284 1.00 0.00 O ATOM 237 CG2 THR A 15 -3.705 1.903 -6.628 1.00 0.00 C ATOM 0 H THR A 15 -6.490 1.789 -3.624 1.00 0.00 H new ATOM 0 HA THR A 15 -5.469 3.747 -5.556 1.00 0.00 H new ATOM 0 HB THR A 15 -4.905 0.808 -5.226 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.990 1.781 -3.454 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.837 1.250 -6.541 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.315 1.585 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.372 2.929 -6.785 1.00 0.00 H new ATOM 245 N VAL A 16 -6.793 3.037 -7.592 1.00 0.00 N ATOM 246 CA VAL A 16 -7.742 2.829 -8.703 1.00 0.00 C ATOM 247 C VAL A 16 -7.100 2.013 -9.832 1.00 0.00 C ATOM 248 O VAL A 16 -5.918 2.181 -10.140 1.00 0.00 O ATOM 249 CB VAL A 16 -8.275 4.191 -9.201 1.00 0.00 C ATOM 250 CG1 VAL A 16 -9.111 4.109 -10.484 1.00 0.00 C ATOM 251 CG2 VAL A 16 -9.150 4.849 -8.124 1.00 0.00 C ATOM 0 H VAL A 16 -6.185 3.843 -7.735 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.590 2.248 -8.341 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.383 4.778 -9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.446 5.108 -10.765 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.505 3.691 -11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.978 3.470 -10.313 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.518 5.808 -8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.995 4.200 -7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.559 5.008 -7.222 1.00 0.00 H new ATOM 261 N TYR A 17 -7.886 1.127 -10.450 1.00 0.00 N ATOM 262 CA TYR A 17 -7.491 0.286 -11.586 1.00 0.00 C ATOM 263 C TYR A 17 -8.679 0.022 -12.533 1.00 0.00 C ATOM 264 O TYR A 17 -9.790 0.516 -12.317 1.00 0.00 O ATOM 265 CB TYR A 17 -6.843 -1.012 -11.063 1.00 0.00 C ATOM 266 CG TYR A 17 -7.747 -2.026 -10.379 1.00 0.00 C ATOM 267 CD1 TYR A 17 -8.021 -1.914 -9.001 1.00 0.00 C ATOM 268 CD2 TYR A 17 -8.234 -3.137 -11.096 1.00 0.00 C ATOM 269 CE1 TYR A 17 -8.739 -2.929 -8.337 1.00 0.00 C ATOM 270 CE2 TYR A 17 -8.978 -4.141 -10.445 1.00 0.00 C ATOM 271 CZ TYR A 17 -9.212 -4.048 -9.055 1.00 0.00 C ATOM 272 OH TYR A 17 -9.918 -5.016 -8.410 1.00 0.00 O ATOM 0 H TYR A 17 -8.852 0.969 -10.163 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.748 0.813 -12.184 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.359 -1.508 -11.904 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.057 -0.735 -10.360 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.680 -1.048 -8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.035 -3.220 -12.154 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.928 -2.850 -7.277 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.367 -4.978 -11.006 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.171 -5.716 -9.047 1.00 0.00 H new ATOM 282 N TYR A 18 -8.451 -0.748 -13.597 1.00 0.00 N ATOM 283 CA TYR A 18 -9.446 -1.125 -14.603 1.00 0.00 C ATOM 284 C TYR A 18 -9.570 -2.651 -14.685 1.00 0.00 C ATOM 285 O TYR A 18 -8.568 -3.369 -14.623 1.00 0.00 O ATOM 286 CB TYR A 18 -9.077 -0.504 -15.961 1.00 0.00 C ATOM 287 CG TYR A 18 -8.938 1.009 -15.930 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.036 1.830 -16.255 1.00 0.00 C ATOM 289 CD2 TYR A 18 -7.713 1.596 -15.554 1.00 0.00 C ATOM 290 CE1 TYR A 18 -9.907 3.231 -16.199 1.00 0.00 C ATOM 291 CE2 TYR A 18 -7.590 2.996 -15.473 1.00 0.00 C ATOM 292 CZ TYR A 18 -8.690 3.818 -15.799 1.00 0.00 C ATOM 293 OH TYR A 18 -8.583 5.172 -15.732 1.00 0.00 O ATOM 0 H TYR A 18 -7.530 -1.143 -13.790 1.00 0.00 H new ATOM 0 HA TYR A 18 -10.422 -0.736 -14.313 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -8.138 -0.938 -16.305 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -9.839 -0.774 -16.692 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -10.976 1.385 -16.547 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.864 0.968 -15.327 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.745 3.859 -16.464 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.656 3.440 -15.162 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.680 5.415 -15.439 1.00 0.00 H new ATOM 303 N PHE A 19 -10.795 -3.155 -14.829 1.00 0.00 N ATOM 304 CA PHE A 19 -11.124 -4.584 -14.850 1.00 0.00 C ATOM 305 C PHE A 19 -12.089 -4.909 -15.995 1.00 0.00 C ATOM 306 O PHE A 19 -13.020 -4.148 -16.267 1.00 0.00 O ATOM 307 CB PHE A 19 -11.685 -4.983 -13.476 1.00 0.00 C ATOM 308 CG PHE A 19 -12.383 -6.331 -13.411 1.00 0.00 C ATOM 309 CD1 PHE A 19 -11.645 -7.495 -13.121 1.00 0.00 C ATOM 310 CD2 PHE A 19 -13.775 -6.423 -13.612 1.00 0.00 C ATOM 311 CE1 PHE A 19 -12.292 -8.741 -13.029 1.00 0.00 C ATOM 312 CE2 PHE A 19 -14.424 -7.666 -13.502 1.00 0.00 C ATOM 313 CZ PHE A 19 -13.684 -8.827 -13.217 1.00 0.00 C ATOM 0 H PHE A 19 -11.616 -2.560 -14.938 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.225 -5.171 -15.038 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.866 -4.985 -12.757 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.389 -4.215 -13.155 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.578 -7.431 -12.969 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -14.345 -5.537 -13.851 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.720 -9.632 -12.814 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.494 -7.729 -13.637 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.182 -9.782 -13.143 1.00 0.00 H new ATOM 323 N ASN A 20 -11.876 -6.042 -16.663 1.00 0.00 N ATOM 324 CA ASN A 20 -12.705 -6.534 -17.757 1.00 0.00 C ATOM 325 C ASN A 20 -13.655 -7.637 -17.266 1.00 0.00 C ATOM 326 O ASN A 20 -13.210 -8.722 -16.891 1.00 0.00 O ATOM 327 CB ASN A 20 -11.788 -6.995 -18.897 1.00 0.00 C ATOM 328 CG ASN A 20 -12.588 -7.373 -20.126 1.00 0.00 C ATOM 329 OD1 ASN A 20 -13.149 -8.457 -20.207 1.00 0.00 O ATOM 330 ND2 ASN A 20 -12.673 -6.511 -21.110 1.00 0.00 N ATOM 0 H ASN A 20 -11.095 -6.662 -16.448 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.345 -5.738 -18.139 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.087 -6.199 -19.147 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.196 -7.849 -18.568 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.208 -6.743 -21.947 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.204 -5.608 -21.039 1.00 0.00 H new ATOM 337 N HIS A 21 -14.966 -7.388 -17.293 1.00 0.00 N ATOM 338 CA HIS A 21 -15.966 -8.296 -16.707 1.00 0.00 C ATOM 339 C HIS A 21 -16.228 -9.559 -17.548 1.00 0.00 C ATOM 340 O HIS A 21 -16.706 -10.566 -17.023 1.00 0.00 O ATOM 341 CB HIS A 21 -17.253 -7.510 -16.392 1.00 0.00 C ATOM 342 CG HIS A 21 -18.261 -7.436 -17.521 1.00 0.00 C ATOM 343 ND1 HIS A 21 -19.212 -8.417 -17.820 1.00 0.00 N ATOM 344 CD2 HIS A 21 -18.402 -6.410 -18.410 1.00 0.00 C ATOM 345 CE1 HIS A 21 -19.904 -7.958 -18.878 1.00 0.00 C ATOM 346 NE2 HIS A 21 -19.439 -6.755 -19.252 1.00 0.00 N ATOM 0 H HIS A 21 -15.368 -6.554 -17.720 1.00 0.00 H new ATOM 0 HA HIS A 21 -15.555 -8.683 -15.775 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -17.734 -7.966 -15.527 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -16.978 -6.495 -16.106 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -17.816 -5.504 -18.447 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -20.717 -8.482 -19.358 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -19.792 -6.193 -20.026 1.00 0.00 H new ATOM 354 N ILE A 22 -15.876 -9.522 -18.837 1.00 0.00 N ATOM 355 CA ILE A 22 -16.094 -10.612 -19.803 1.00 0.00 C ATOM 356 C ILE A 22 -14.983 -11.672 -19.701 1.00 0.00 C ATOM 357 O ILE A 22 -15.252 -12.872 -19.793 1.00 0.00 O ATOM 358 CB ILE A 22 -16.228 -10.020 -21.232 1.00 0.00 C ATOM 359 CG1 ILE A 22 -17.414 -9.026 -21.290 1.00 0.00 C ATOM 360 CG2 ILE A 22 -16.385 -11.130 -22.289 1.00 0.00 C ATOM 361 CD1 ILE A 22 -17.580 -8.290 -22.624 1.00 0.00 C ATOM 0 H ILE A 22 -15.418 -8.711 -19.253 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.026 -11.126 -19.567 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.310 -9.480 -21.463 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -18.334 -9.569 -21.076 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -17.288 -8.287 -20.498 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.476 -10.681 -23.278 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.511 -11.781 -22.266 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -17.279 -11.715 -22.072 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -18.436 -7.618 -22.565 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -16.680 -7.713 -22.836 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -17.742 -9.015 -23.422 1.00 0.00 H new ATOM 373 N THR A 23 -13.739 -11.234 -19.477 1.00 0.00 N ATOM 374 CA THR A 23 -12.523 -12.080 -19.463 1.00 0.00 C ATOM 375 C THR A 23 -11.873 -12.229 -18.078 1.00 0.00 C ATOM 376 O THR A 23 -10.946 -13.024 -17.917 1.00 0.00 O ATOM 377 CB THR A 23 -11.477 -11.546 -20.455 1.00 0.00 C ATOM 378 OG1 THR A 23 -11.048 -10.259 -20.069 1.00 0.00 O ATOM 379 CG2 THR A 23 -11.995 -11.449 -21.891 1.00 0.00 C ATOM 0 H THR A 23 -13.536 -10.251 -19.294 1.00 0.00 H new ATOM 0 HA THR A 23 -12.864 -13.072 -19.760 1.00 0.00 H new ATOM 0 HB THR A 23 -10.659 -12.266 -20.432 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.823 -9.663 -20.001 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.206 -11.065 -22.537 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.298 -12.438 -22.236 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.851 -10.775 -21.924 1.00 0.00 H new ATOM 387 N ASN A 24 -12.343 -11.477 -17.074 1.00 0.00 N ATOM 388 CA ASN A 24 -11.763 -11.343 -15.728 1.00 0.00 C ATOM 389 C ASN A 24 -10.316 -10.790 -15.685 1.00 0.00 C ATOM 390 O ASN A 24 -9.632 -10.916 -14.665 1.00 0.00 O ATOM 391 CB ASN A 24 -11.980 -12.628 -14.903 1.00 0.00 C ATOM 392 CG ASN A 24 -13.433 -13.074 -14.875 1.00 0.00 C ATOM 393 OD1 ASN A 24 -14.302 -12.408 -14.330 1.00 0.00 O ATOM 394 ND2 ASN A 24 -13.748 -14.214 -15.453 1.00 0.00 N ATOM 0 H ASN A 24 -13.186 -10.913 -17.184 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.322 -10.548 -15.235 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.367 -13.428 -15.318 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -11.637 -12.461 -13.882 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.715 -14.540 -15.446 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.025 -14.772 -15.908 1.00 0.00 H new ATOM 401 N ALA A 25 -9.841 -10.163 -16.769 1.00 0.00 N ATOM 402 CA ALA A 25 -8.549 -9.472 -16.818 1.00 0.00 C ATOM 403 C ALA A 25 -8.568 -8.142 -16.033 1.00 0.00 C ATOM 404 O ALA A 25 -9.630 -7.559 -15.805 1.00 0.00 O ATOM 405 CB ALA A 25 -8.162 -9.261 -18.289 1.00 0.00 C ATOM 0 H ALA A 25 -10.353 -10.122 -17.650 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.796 -10.091 -16.330 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.202 -8.748 -18.343 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.085 -10.227 -18.787 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.924 -8.658 -18.783 1.00 0.00 H new ATOM 411 N SER A 26 -7.397 -7.636 -15.635 1.00 0.00 N ATOM 412 CA SER A 26 -7.249 -6.328 -14.972 1.00 0.00 C ATOM 413 C SER A 26 -5.898 -5.664 -15.261 1.00 0.00 C ATOM 414 O SER A 26 -4.893 -6.344 -15.494 1.00 0.00 O ATOM 415 CB SER A 26 -7.472 -6.440 -13.456 1.00 0.00 C ATOM 416 OG SER A 26 -6.542 -7.316 -12.842 1.00 0.00 O ATOM 0 H SER A 26 -6.512 -8.126 -15.764 1.00 0.00 H new ATOM 0 HA SER A 26 -8.022 -5.687 -15.396 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.390 -5.451 -13.004 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.485 -6.795 -13.265 1.00 0.00 H new ATOM 0 HG SER A 26 -6.718 -7.357 -11.879 1.00 0.00 H new ATOM 422 N GLN A 27 -5.877 -4.328 -15.262 1.00 0.00 N ATOM 423 CA GLN A 27 -4.672 -3.506 -15.438 1.00 0.00 C ATOM 424 C GLN A 27 -4.788 -2.160 -14.698 1.00 0.00 C ATOM 425 O GLN A 27 -5.890 -1.658 -14.471 1.00 0.00 O ATOM 426 CB GLN A 27 -4.383 -3.328 -16.941 1.00 0.00 C ATOM 427 CG GLN A 27 -5.349 -2.396 -17.690 1.00 0.00 C ATOM 428 CD GLN A 27 -4.937 -2.216 -19.151 1.00 0.00 C ATOM 429 OE1 GLN A 27 -4.700 -3.161 -19.893 1.00 0.00 O ATOM 430 NE2 GLN A 27 -4.817 -0.993 -19.620 1.00 0.00 N ATOM 0 H GLN A 27 -6.722 -3.770 -15.137 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.823 -4.021 -14.988 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.370 -2.943 -17.056 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.407 -4.308 -17.417 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.359 -2.804 -17.644 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.375 -1.425 -17.196 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.010 -0.194 -19.016 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.531 -0.844 -20.588 1.00 0.00 H new ATOM 439 N PHE A 28 -3.658 -1.556 -14.322 1.00 0.00 N ATOM 440 CA PHE A 28 -3.622 -0.316 -13.538 1.00 0.00 C ATOM 441 C PHE A 28 -3.896 0.951 -14.374 1.00 0.00 C ATOM 442 O PHE A 28 -4.575 1.867 -13.908 1.00 0.00 O ATOM 443 CB PHE A 28 -2.259 -0.261 -12.833 1.00 0.00 C ATOM 444 CG PHE A 28 -1.949 1.067 -12.175 1.00 0.00 C ATOM 445 CD1 PHE A 28 -1.157 2.010 -12.855 1.00 0.00 C ATOM 446 CD2 PHE A 28 -2.474 1.373 -10.907 1.00 0.00 C ATOM 447 CE1 PHE A 28 -0.884 3.258 -12.267 1.00 0.00 C ATOM 448 CE2 PHE A 28 -2.198 2.620 -10.316 1.00 0.00 C ATOM 449 CZ PHE A 28 -1.403 3.561 -10.994 1.00 0.00 C ATOM 0 H PHE A 28 -2.733 -1.916 -14.555 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.432 -0.330 -12.809 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.223 -1.045 -12.076 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.478 -0.484 -13.560 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.758 1.775 -13.831 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.088 0.652 -10.387 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.278 3.982 -12.791 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.597 2.855 -9.340 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.190 4.517 -10.538 1.00 0.00 H new ATOM 459 N GLU A 29 -3.390 1.008 -15.609 1.00 0.00 N ATOM 460 CA GLU A 29 -3.494 2.178 -16.500 1.00 0.00 C ATOM 461 C GLU A 29 -4.722 2.124 -17.428 1.00 0.00 C ATOM 462 O GLU A 29 -5.253 1.049 -17.715 1.00 0.00 O ATOM 463 CB GLU A 29 -2.178 2.362 -17.278 1.00 0.00 C ATOM 464 CG GLU A 29 -1.901 1.254 -18.310 1.00 0.00 C ATOM 465 CD GLU A 29 -0.504 1.384 -18.958 1.00 0.00 C ATOM 466 OE1 GLU A 29 0.147 0.339 -19.212 1.00 0.00 O ATOM 467 OE2 GLU A 29 -0.042 2.520 -19.241 1.00 0.00 O ATOM 0 H GLU A 29 -2.885 0.228 -16.031 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.653 3.057 -15.876 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.202 3.324 -17.790 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.351 2.399 -16.569 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.984 0.281 -17.825 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.663 1.288 -19.088 1.00 0.00 H new ATOM 474 N ARG A 30 -5.163 3.285 -17.930 1.00 0.00 N ATOM 475 CA ARG A 30 -6.362 3.440 -18.778 1.00 0.00 C ATOM 476 C ARG A 30 -6.298 2.562 -20.052 1.00 0.00 C ATOM 477 O ARG A 30 -5.394 2.767 -20.869 1.00 0.00 O ATOM 478 CB ARG A 30 -6.519 4.944 -19.097 1.00 0.00 C ATOM 479 CG ARG A 30 -7.553 5.295 -20.178 1.00 0.00 C ATOM 480 CD ARG A 30 -9.002 4.931 -19.833 1.00 0.00 C ATOM 481 NE ARG A 30 -9.690 4.445 -21.042 1.00 0.00 N ATOM 482 CZ ARG A 30 -10.729 4.951 -21.673 1.00 0.00 C ATOM 483 NH1 ARG A 30 -11.400 5.981 -21.246 1.00 0.00 N ATOM 484 NH2 ARG A 30 -11.120 4.395 -22.779 1.00 0.00 N ATOM 0 H ARG A 30 -4.685 4.169 -17.755 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.244 3.086 -18.244 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.791 5.464 -18.179 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.550 5.333 -19.409 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.501 6.366 -20.375 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.277 4.787 -21.102 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.021 4.164 -19.059 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.521 5.802 -19.432 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.305 3.593 -21.449 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.129 6.442 -20.377 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.197 6.327 -21.780 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.624 3.582 -23.144 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.923 4.772 -23.283 1.00 0.00 H new ATOM 498 N PRO A 31 -7.244 1.621 -20.272 1.00 0.00 N ATOM 499 CA PRO A 31 -7.282 0.782 -21.473 1.00 0.00 C ATOM 500 C PRO A 31 -7.788 1.567 -22.694 1.00 0.00 C ATOM 501 O PRO A 31 -8.802 2.267 -22.620 1.00 0.00 O ATOM 502 CB PRO A 31 -8.184 -0.405 -21.112 1.00 0.00 C ATOM 503 CG PRO A 31 -9.155 0.191 -20.095 1.00 0.00 C ATOM 504 CD PRO A 31 -8.290 1.203 -19.346 1.00 0.00 C ATOM 0 HA PRO A 31 -6.289 0.438 -21.763 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.706 -0.795 -21.986 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.613 -1.230 -20.687 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.006 0.669 -20.581 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.556 -0.570 -19.426 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.885 2.057 -19.022 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.859 0.757 -18.450 1.00 0.00 H new ATOM 512 N SER A 32 -7.080 1.457 -23.823 1.00 0.00 N ATOM 513 CA SER A 32 -7.363 2.171 -25.087 1.00 0.00 C ATOM 514 C SER A 32 -7.544 3.698 -24.936 1.00 0.00 C ATOM 515 O SER A 32 -8.387 4.304 -25.605 1.00 0.00 O ATOM 516 CB SER A 32 -8.518 1.509 -25.857 1.00 0.00 C ATOM 517 OG SER A 32 -8.245 0.133 -26.082 1.00 0.00 O ATOM 0 H SER A 32 -6.264 0.849 -23.891 1.00 0.00 H new ATOM 0 HA SER A 32 -6.460 2.071 -25.689 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.445 1.614 -25.294 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.665 2.017 -26.810 1.00 0.00 H new ATOM 0 HG SER A 32 -8.991 -0.273 -26.571 1.00 0.00 H new ATOM 523 N GLY A 33 -6.767 4.322 -24.037 1.00 0.00 N ATOM 524 CA GLY A 33 -6.757 5.774 -23.781 1.00 0.00 C ATOM 525 C GLY A 33 -6.247 6.607 -24.963 1.00 0.00 C ATOM 526 O GLY A 33 -6.919 7.599 -25.324 1.00 0.00 O ATOM 527 OXT GLY A 33 -5.165 6.282 -25.504 1.00 0.00 O ATOM 0 H GLY A 33 -6.106 3.815 -23.448 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.768 6.096 -23.531 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.133 5.976 -22.910 1.00 0.00 H new TER 531 GLY A 33 HETATM 532 C1 4N2 A 101 -3.073 -1.134 -2.987 1.00 0.00 C HETATM 533 C2 4N2 A 101 -2.990 -2.649 -3.377 1.00 0.00 C HETATM 534 C3 4N2 A 101 -2.094 -2.819 -4.634 1.00 0.00 C HETATM 535 C4 4N2 A 101 -0.706 -2.146 -4.454 1.00 0.00 C HETATM 536 C5 4N2 A 101 -0.873 -0.651 -4.059 1.00 0.00 C HETATM 537 C6 4N2 A 101 0.451 0.128 -3.860 1.00 0.00 C HETATM 538 O2 4N2 A 101 -2.467 -3.484 -2.289 1.00 0.00 O HETATM 539 O3 4N2 A 101 -2.744 -2.227 -5.797 1.00 0.00 O HETATM 540 O4 4N2 A 101 0.046 -2.873 -3.433 1.00 0.00 O HETATM 541 O5 4N2 A 101 -1.735 -0.540 -2.842 1.00 0.00 O HETATM 542 O6 4N2 A 101 1.332 -0.507 -2.896 1.00 0.00 O