USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 462 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 3 GLN : amide:sc= 1.16 K(o=1.9,f=0.85) USER MOD Set 1.2: A 48 THR OG1 : rot 160:sc= 0.743 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 1.14 (180deg=1.14) USER MOD Single : A 10 ASN : amide:sc= -0.574 K(o=-0.57,f=-8.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.256 F(o=-1.2,f=-0.26) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 31 SER OG : rot -92:sc= 0.0624 USER MOD Single : A 34 GLN : amide:sc= -0.0836! C(o=-0.084!,f=-4.9!) USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -0.035 (180deg=-0.383) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 45 GLN : amide:sc= -3.15! C(o=-3.1!,f=-3!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 62 ASN : amide:sc= 0.506 K(o=0.51,f=-0.018) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -0.0314 (180deg=-0.187) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 3.472 -4.237 -1.348 1.00 14.05 N ATOM 21 CA GLU A 2 4.536 -4.899 -2.070 1.00 10.22 C ATOM 22 C GLU A 2 4.123 -5.090 -3.519 1.00 20.04 C ATOM 23 O GLU A 2 3.624 -6.143 -3.905 1.00 72.54 O ATOM 24 CB GLU A 2 4.886 -6.241 -1.429 1.00 52.11 C ATOM 25 CG GLU A 2 4.998 -6.188 0.088 1.00 61.42 C ATOM 26 CD GLU A 2 5.900 -5.076 0.574 1.00 42.41 C ATOM 27 OE1 GLU A 2 7.035 -4.968 0.074 1.00 23.00 O ATOM 28 OE2 GLU A 2 5.469 -4.307 1.459 1.00 22.32 O ATOM 0 HA GLU A 2 5.428 -4.273 -2.030 1.00 10.22 H new ATOM 0 HB2 GLU A 2 4.126 -6.973 -1.702 1.00 52.11 H new ATOM 0 HB3 GLU A 2 5.831 -6.594 -1.841 1.00 52.11 H new ATOM 0 HG2 GLU A 2 4.004 -6.056 0.516 1.00 61.42 H new ATOM 0 HG3 GLU A 2 5.378 -7.142 0.453 1.00 61.42 H new ATOM 35 N GLN A 3 4.285 -4.043 -4.306 1.00 21.42 N ATOM 36 CA GLN A 3 3.924 -4.090 -5.710 1.00 0.52 C ATOM 37 C GLN A 3 5.174 -3.963 -6.568 1.00 33.22 C ATOM 38 O GLN A 3 6.111 -3.241 -6.210 1.00 5.44 O ATOM 39 CB GLN A 3 2.929 -2.974 -6.050 1.00 13.21 C ATOM 40 CG GLN A 3 2.436 -3.013 -7.488 1.00 20.53 C ATOM 41 CD GLN A 3 1.430 -1.924 -7.797 1.00 21.22 C ATOM 42 OE1 GLN A 3 1.794 -0.821 -8.206 1.00 12.45 O ATOM 43 NE2 GLN A 3 0.158 -2.222 -7.605 1.00 41.10 N ATOM 0 H GLN A 3 4.665 -3.148 -3.996 1.00 21.42 H new ATOM 0 HA GLN A 3 3.446 -5.047 -5.917 1.00 0.52 H new ATOM 0 HB2 GLN A 3 2.073 -3.046 -5.379 1.00 13.21 H new ATOM 0 HB3 GLN A 3 3.400 -2.009 -5.863 1.00 13.21 H new ATOM 0 HG2 GLN A 3 3.288 -2.915 -8.161 1.00 20.53 H new ATOM 0 HG3 GLN A 3 1.984 -3.985 -7.685 1.00 20.53 H new ATOM 0 HE21 GLN A 3 -0.103 -3.147 -7.265 1.00 41.10 H new ATOM 0 HE22 GLN A 3 -0.563 -1.527 -7.797 1.00 41.10 H new ATOM 52 N GLY A 4 5.193 -4.674 -7.682 1.00 74.11 N ATOM 53 CA GLY A 4 6.325 -4.611 -8.574 1.00 74.33 C ATOM 54 C GLY A 4 6.180 -5.551 -9.747 1.00 42.31 C ATOM 55 O GLY A 4 5.150 -6.214 -9.899 1.00 5.21 O ATOM 0 H GLY A 4 4.442 -5.295 -7.984 1.00 74.11 H new ATOM 0 HA2 GLY A 4 6.440 -3.591 -8.940 1.00 74.33 H new ATOM 0 HA3 GLY A 4 7.233 -4.857 -8.024 1.00 74.33 H new ATOM 59 N THR A 5 7.207 -5.605 -10.570 1.00 3.04 N ATOM 60 CA THR A 5 7.198 -6.437 -11.755 1.00 25.05 C ATOM 61 C THR A 5 7.767 -7.819 -11.445 1.00 3.22 C ATOM 62 O THR A 5 8.813 -7.943 -10.799 1.00 32.05 O ATOM 63 CB THR A 5 8.019 -5.780 -12.882 1.00 75.43 C ATOM 64 OG1 THR A 5 7.489 -4.481 -13.170 1.00 64.32 O ATOM 65 CG2 THR A 5 8.008 -6.625 -14.148 1.00 3.10 C ATOM 0 H THR A 5 8.068 -5.075 -10.437 1.00 3.04 H new ATOM 0 HA THR A 5 6.165 -6.545 -12.084 1.00 25.05 H new ATOM 0 HB THR A 5 9.051 -5.696 -12.540 1.00 75.43 H new ATOM 0 HG1 THR A 5 8.014 -4.065 -13.885 1.00 64.32 H new ATOM 0 HG21 THR A 5 8.597 -6.131 -14.921 1.00 3.10 H new ATOM 0 HG22 THR A 5 8.437 -7.604 -13.936 1.00 3.10 H new ATOM 0 HG23 THR A 5 6.982 -6.746 -14.496 1.00 3.10 H new ATOM 73 N VAL A 6 7.061 -8.852 -11.887 1.00 31.40 N ATOM 74 CA VAL A 6 7.536 -10.217 -11.756 1.00 11.14 C ATOM 75 C VAL A 6 8.743 -10.419 -12.657 1.00 65.44 C ATOM 76 O VAL A 6 8.616 -10.400 -13.881 1.00 65.11 O ATOM 77 CB VAL A 6 6.446 -11.245 -12.134 1.00 43.42 C ATOM 78 CG1 VAL A 6 6.949 -12.669 -11.932 1.00 4.23 C ATOM 79 CG2 VAL A 6 5.173 -11.004 -11.333 1.00 20.12 C ATOM 0 H VAL A 6 6.152 -8.766 -12.342 1.00 31.40 H new ATOM 0 HA VAL A 6 7.804 -10.377 -10.712 1.00 11.14 H new ATOM 0 HB VAL A 6 6.212 -11.115 -13.191 1.00 43.42 H new ATOM 0 HG11 VAL A 6 6.164 -13.374 -12.205 1.00 4.23 H new ATOM 0 HG12 VAL A 6 7.823 -12.839 -12.560 1.00 4.23 H new ATOM 0 HG13 VAL A 6 7.220 -12.814 -10.886 1.00 4.23 H new ATOM 0 HG21 VAL A 6 4.420 -11.740 -11.616 1.00 20.12 H new ATOM 0 HG22 VAL A 6 5.390 -11.098 -10.269 1.00 20.12 H new ATOM 0 HG23 VAL A 6 4.797 -10.002 -11.540 1.00 20.12 H new ATOM 89 N LYS A 7 9.906 -10.584 -12.048 1.00 73.23 N ATOM 90 CA LYS A 7 11.144 -10.735 -12.791 1.00 73.52 C ATOM 91 C LYS A 7 11.162 -12.069 -13.527 1.00 63.43 C ATOM 92 O LYS A 7 11.203 -12.110 -14.756 1.00 23.34 O ATOM 93 CB LYS A 7 12.338 -10.630 -11.839 1.00 60.24 C ATOM 94 CG LYS A 7 13.684 -10.786 -12.524 1.00 62.22 C ATOM 95 CD LYS A 7 14.827 -10.714 -11.526 1.00 22.11 C ATOM 96 CE LYS A 7 14.944 -9.339 -10.890 1.00 1.03 C ATOM 97 NZ LYS A 7 15.353 -8.301 -11.874 1.00 1.41 N ATOM 0 H LYS A 7 10.017 -10.617 -11.035 1.00 73.23 H new ATOM 0 HA LYS A 7 11.213 -9.937 -13.530 1.00 73.52 H new ATOM 0 HB2 LYS A 7 12.306 -9.663 -11.337 1.00 60.24 H new ATOM 0 HB3 LYS A 7 12.243 -11.393 -11.067 1.00 60.24 H new ATOM 0 HG2 LYS A 7 13.718 -11.740 -13.050 1.00 62.22 H new ATOM 0 HG3 LYS A 7 13.805 -10.005 -13.274 1.00 62.22 H new ATOM 0 HD2 LYS A 7 14.676 -11.462 -10.747 1.00 22.11 H new ATOM 0 HD3 LYS A 7 15.762 -10.962 -12.028 1.00 22.11 H new ATOM 0 HE2 LYS A 7 13.987 -9.062 -10.448 1.00 1.03 H new ATOM 0 HE3 LYS A 7 15.671 -9.376 -10.079 1.00 1.03 H new ATOM 0 HZ1 LYS A 7 15.404 -7.376 -11.402 1.00 1.41 H new ATOM 0 HZ2 LYS A 7 16.286 -8.542 -12.265 1.00 1.41 H new ATOM 0 HZ3 LYS A 7 14.655 -8.258 -12.644 1.00 1.41 H new ATOM 111 N TRP A 8 11.108 -13.152 -12.760 1.00 12.32 N ATOM 112 CA TRP A 8 11.118 -14.500 -13.317 1.00 30.42 C ATOM 113 C TRP A 8 11.008 -15.517 -12.191 1.00 30.21 C ATOM 114 O TRP A 8 11.593 -15.336 -11.126 1.00 54.31 O ATOM 115 CB TRP A 8 12.401 -14.746 -14.125 1.00 74.21 C ATOM 116 CG TRP A 8 12.451 -16.097 -14.781 1.00 34.54 C ATOM 117 CD1 TRP A 8 11.629 -16.559 -15.768 1.00 52.25 C ATOM 118 CD2 TRP A 8 13.374 -17.154 -14.499 1.00 72.34 C ATOM 119 NE1 TRP A 8 11.981 -17.843 -16.111 1.00 42.12 N ATOM 120 CE2 TRP A 8 13.049 -18.229 -15.349 1.00 40.31 C ATOM 121 CE3 TRP A 8 14.445 -17.297 -13.610 1.00 55.53 C ATOM 122 CZ2 TRP A 8 13.758 -19.430 -15.335 1.00 63.42 C ATOM 123 CZ3 TRP A 8 15.146 -18.488 -13.597 1.00 64.14 C ATOM 124 CH2 TRP A 8 14.800 -19.541 -14.454 1.00 65.33 C ATOM 0 H TRP A 8 11.056 -13.122 -11.742 1.00 12.32 H new ATOM 0 HA TRP A 8 10.266 -14.608 -13.988 1.00 30.42 H new ATOM 0 HB2 TRP A 8 12.491 -13.976 -14.891 1.00 74.21 H new ATOM 0 HB3 TRP A 8 13.262 -14.640 -13.465 1.00 74.21 H new ATOM 0 HD1 TRP A 8 10.821 -15.998 -16.214 1.00 52.25 H new ATOM 0 HE1 TRP A 8 11.520 -18.415 -16.819 1.00 42.12 H new ATOM 0 HE3 TRP A 8 14.719 -16.491 -12.946 1.00 55.53 H new ATOM 0 HZ2 TRP A 8 13.495 -20.243 -15.995 1.00 63.42 H new ATOM 0 HZ3 TRP A 8 15.974 -18.609 -12.915 1.00 64.14 H new ATOM 0 HH2 TRP A 8 15.367 -20.459 -14.419 1.00 65.33 H new ATOM 135 N PHE A 9 10.248 -16.575 -12.419 1.00 30.14 N ATOM 136 CA PHE A 9 10.104 -17.624 -11.425 1.00 11.44 C ATOM 137 C PHE A 9 11.019 -18.800 -11.760 1.00 15.32 C ATOM 138 O PHE A 9 10.850 -19.469 -12.778 1.00 2.51 O ATOM 139 CB PHE A 9 8.633 -18.071 -11.302 1.00 24.33 C ATOM 140 CG PHE A 9 8.039 -18.667 -12.553 1.00 32.45 C ATOM 141 CD1 PHE A 9 7.711 -17.866 -13.637 1.00 72.22 C ATOM 142 CD2 PHE A 9 7.805 -20.031 -12.639 1.00 14.24 C ATOM 143 CE1 PHE A 9 7.165 -18.414 -14.781 1.00 5.22 C ATOM 144 CE2 PHE A 9 7.258 -20.584 -13.782 1.00 51.10 C ATOM 145 CZ PHE A 9 6.938 -19.774 -14.854 1.00 20.22 C ATOM 0 H PHE A 9 9.723 -16.730 -13.280 1.00 30.14 H new ATOM 0 HA PHE A 9 10.405 -17.227 -10.455 1.00 11.44 H new ATOM 0 HB2 PHE A 9 8.558 -18.803 -10.498 1.00 24.33 H new ATOM 0 HB3 PHE A 9 8.032 -17.211 -11.007 1.00 24.33 H new ATOM 0 HD1 PHE A 9 7.885 -16.801 -13.586 1.00 72.22 H new ATOM 0 HD2 PHE A 9 8.053 -20.669 -11.803 1.00 14.24 H new ATOM 0 HE1 PHE A 9 6.916 -17.779 -15.618 1.00 5.22 H new ATOM 0 HE2 PHE A 9 7.081 -21.648 -13.837 1.00 51.10 H new ATOM 0 HZ PHE A 9 6.511 -20.204 -15.748 1.00 20.22 H new ATOM 155 N ASN A 10 12.010 -19.037 -10.915 1.00 61.32 N ATOM 156 CA ASN A 10 12.966 -20.109 -11.156 1.00 11.52 C ATOM 157 C ASN A 10 12.333 -21.474 -10.896 1.00 3.50 C ATOM 158 O ASN A 10 12.466 -22.058 -9.816 1.00 42.43 O ATOM 159 CB ASN A 10 14.256 -19.929 -10.331 1.00 11.31 C ATOM 160 CG ASN A 10 14.022 -19.692 -8.849 1.00 53.23 C ATOM 161 OD1 ASN A 10 13.078 -19.017 -8.452 1.00 44.32 O ATOM 162 ND2 ASN A 10 14.891 -20.248 -8.021 1.00 14.13 N ATOM 0 H ASN A 10 12.174 -18.505 -10.060 1.00 61.32 H new ATOM 0 HA ASN A 10 13.249 -20.059 -12.207 1.00 11.52 H new ATOM 0 HB2 ASN A 10 14.877 -20.817 -10.451 1.00 11.31 H new ATOM 0 HB3 ASN A 10 14.819 -19.088 -10.737 1.00 11.31 H new ATOM 0 HD21 ASN A 10 14.789 -20.122 -7.014 1.00 14.13 H new ATOM 0 HD22 ASN A 10 15.664 -20.803 -8.390 1.00 14.13 H new ATOM 169 N ALA A 11 11.633 -21.972 -11.913 1.00 45.54 N ATOM 170 CA ALA A 11 10.990 -23.281 -11.860 1.00 30.35 C ATOM 171 C ALA A 11 12.025 -24.392 -11.713 1.00 64.03 C ATOM 172 O ALA A 11 11.679 -25.538 -11.430 1.00 73.43 O ATOM 173 CB ALA A 11 10.145 -23.499 -13.107 1.00 72.44 C ATOM 0 H ALA A 11 11.496 -21.479 -12.796 1.00 45.54 H new ATOM 0 HA ALA A 11 10.340 -23.310 -10.985 1.00 30.35 H new ATOM 0 HB1 ALA A 11 9.670 -24.479 -13.058 1.00 72.44 H new ATOM 0 HB2 ALA A 11 9.379 -22.726 -13.167 1.00 72.44 H new ATOM 0 HB3 ALA A 11 10.781 -23.448 -13.991 1.00 72.44 H new ATOM 179 N GLU A 12 13.291 -24.032 -11.909 1.00 51.52 N ATOM 180 CA GLU A 12 14.408 -24.943 -11.697 1.00 52.25 C ATOM 181 C GLU A 12 14.361 -25.523 -10.287 1.00 51.22 C ATOM 182 O GLU A 12 14.529 -26.728 -10.090 1.00 10.23 O ATOM 183 CB GLU A 12 15.725 -24.192 -11.905 1.00 3.45 C ATOM 184 CG GLU A 12 16.964 -25.024 -11.639 1.00 63.31 C ATOM 185 CD GLU A 12 18.220 -24.182 -11.613 1.00 1.42 C ATOM 186 OE1 GLU A 12 18.590 -23.693 -10.528 1.00 23.10 O ATOM 187 OE2 GLU A 12 18.841 -23.997 -12.681 1.00 4.05 O ATOM 0 H GLU A 12 13.569 -23.101 -12.219 1.00 51.52 H new ATOM 0 HA GLU A 12 14.338 -25.762 -12.413 1.00 52.25 H new ATOM 0 HB2 GLU A 12 15.762 -23.823 -12.930 1.00 3.45 H new ATOM 0 HB3 GLU A 12 15.740 -23.320 -11.252 1.00 3.45 H new ATOM 0 HG2 GLU A 12 16.855 -25.541 -10.686 1.00 63.31 H new ATOM 0 HG3 GLU A 12 17.058 -25.790 -12.409 1.00 63.31 H new ATOM 194 N LYS A 13 14.111 -24.659 -9.310 1.00 0.11 N ATOM 195 CA LYS A 13 14.056 -25.076 -7.915 1.00 30.33 C ATOM 196 C LYS A 13 12.644 -24.923 -7.366 1.00 33.34 C ATOM 197 O LYS A 13 12.366 -25.273 -6.216 1.00 21.53 O ATOM 198 CB LYS A 13 15.045 -24.261 -7.080 1.00 13.21 C ATOM 199 CG LYS A 13 16.494 -24.488 -7.473 1.00 42.13 C ATOM 200 CD LYS A 13 17.444 -23.661 -6.626 1.00 62.31 C ATOM 201 CE LYS A 13 18.891 -23.952 -6.981 1.00 22.55 C ATOM 202 NZ LYS A 13 19.836 -23.149 -6.165 1.00 13.22 N ATOM 0 H LYS A 13 13.943 -23.664 -9.459 1.00 0.11 H new ATOM 0 HA LYS A 13 14.334 -26.128 -7.857 1.00 30.33 H new ATOM 0 HB2 LYS A 13 14.810 -23.202 -7.183 1.00 13.21 H new ATOM 0 HB3 LYS A 13 14.917 -24.515 -6.028 1.00 13.21 H new ATOM 0 HG2 LYS A 13 16.738 -25.545 -7.366 1.00 42.13 H new ATOM 0 HG3 LYS A 13 16.630 -24.234 -8.524 1.00 42.13 H new ATOM 0 HD2 LYS A 13 17.237 -22.601 -6.773 1.00 62.31 H new ATOM 0 HD3 LYS A 13 17.275 -23.876 -5.571 1.00 62.31 H new ATOM 0 HE2 LYS A 13 19.094 -25.013 -6.833 1.00 22.55 H new ATOM 0 HE3 LYS A 13 19.055 -23.741 -8.038 1.00 22.55 H new ATOM 0 HZ1 LYS A 13 20.813 -23.378 -6.439 1.00 13.22 H new ATOM 0 HZ2 LYS A 13 19.660 -22.137 -6.326 1.00 13.22 H new ATOM 0 HZ3 LYS A 13 19.699 -23.369 -5.158 1.00 13.22 H new ATOM 216 N GLY A 14 11.760 -24.394 -8.197 1.00 20.30 N ATOM 217 CA GLY A 14 10.372 -24.243 -7.815 1.00 14.23 C ATOM 218 C GLY A 14 10.138 -23.015 -6.965 1.00 51.34 C ATOM 219 O GLY A 14 9.485 -23.088 -5.922 1.00 3.54 O ATOM 0 H GLY A 14 11.981 -24.064 -9.136 1.00 20.30 H new ATOM 0 HA2 GLY A 14 9.756 -24.183 -8.712 1.00 14.23 H new ATOM 0 HA3 GLY A 14 10.051 -25.128 -7.266 1.00 14.23 H new ATOM 223 N PHE A 15 10.679 -21.887 -7.403 1.00 35.34 N ATOM 224 CA PHE A 15 10.519 -20.630 -6.686 1.00 41.13 C ATOM 225 C PHE A 15 10.229 -19.514 -7.677 1.00 44.44 C ATOM 226 O PHE A 15 9.910 -19.777 -8.837 1.00 21.02 O ATOM 227 CB PHE A 15 11.780 -20.283 -5.882 1.00 70.25 C ATOM 228 CG PHE A 15 12.118 -21.265 -4.796 1.00 61.53 C ATOM 229 CD1 PHE A 15 11.306 -21.394 -3.681 1.00 0.35 C ATOM 230 CD2 PHE A 15 13.256 -22.050 -4.885 1.00 24.33 C ATOM 231 CE1 PHE A 15 11.623 -22.287 -2.678 1.00 34.43 C ATOM 232 CE2 PHE A 15 13.576 -22.945 -3.886 1.00 61.43 C ATOM 233 CZ PHE A 15 12.759 -23.064 -2.781 1.00 54.11 C ATOM 0 H PHE A 15 11.235 -21.817 -8.255 1.00 35.34 H new ATOM 0 HA PHE A 15 9.688 -20.739 -5.989 1.00 41.13 H new ATOM 0 HB2 PHE A 15 12.625 -20.214 -6.567 1.00 70.25 H new ATOM 0 HB3 PHE A 15 11.651 -19.297 -5.435 1.00 70.25 H new ATOM 0 HD1 PHE A 15 10.415 -20.789 -3.596 1.00 0.35 H new ATOM 0 HD2 PHE A 15 13.900 -21.960 -5.747 1.00 24.33 H new ATOM 0 HE1 PHE A 15 10.983 -22.378 -1.813 1.00 34.43 H new ATOM 0 HE2 PHE A 15 14.465 -23.552 -3.969 1.00 61.43 H new ATOM 0 HZ PHE A 15 13.008 -23.764 -1.997 1.00 54.11 H new ATOM 243 N GLY A 16 10.347 -18.281 -7.221 1.00 32.33 N ATOM 244 CA GLY A 16 10.164 -17.147 -8.098 1.00 43.02 C ATOM 245 C GLY A 16 10.842 -15.907 -7.569 1.00 20.33 C ATOM 246 O GLY A 16 11.180 -15.841 -6.387 1.00 55.42 O ATOM 0 H GLY A 16 10.567 -18.043 -6.254 1.00 32.33 H new ATOM 0 HA2 GLY A 16 10.561 -17.384 -9.085 1.00 43.02 H new ATOM 0 HA3 GLY A 16 9.099 -16.953 -8.222 1.00 43.02 H new ATOM 250 N PHE A 17 11.060 -14.934 -8.439 1.00 14.44 N ATOM 251 CA PHE A 17 11.607 -13.652 -8.024 1.00 23.31 C ATOM 252 C PHE A 17 10.748 -12.513 -8.557 1.00 53.52 C ATOM 253 O PHE A 17 10.371 -12.499 -9.732 1.00 13.45 O ATOM 254 CB PHE A 17 13.044 -13.481 -8.530 1.00 73.34 C ATOM 255 CG PHE A 17 14.003 -14.526 -8.032 1.00 42.15 C ATOM 256 CD1 PHE A 17 14.433 -14.521 -6.715 1.00 33.11 C ATOM 257 CD2 PHE A 17 14.478 -15.509 -8.885 1.00 55.04 C ATOM 258 CE1 PHE A 17 15.317 -15.479 -6.258 1.00 42.14 C ATOM 259 CE2 PHE A 17 15.363 -16.468 -8.433 1.00 30.25 C ATOM 260 CZ PHE A 17 15.784 -16.453 -7.119 1.00 44.11 C ATOM 0 H PHE A 17 10.866 -15.008 -9.438 1.00 14.44 H new ATOM 0 HA PHE A 17 11.610 -13.627 -6.934 1.00 23.31 H new ATOM 0 HB2 PHE A 17 13.038 -13.500 -9.620 1.00 73.34 H new ATOM 0 HB3 PHE A 17 13.408 -12.498 -8.230 1.00 73.34 H new ATOM 0 HD1 PHE A 17 14.073 -13.760 -6.038 1.00 33.11 H new ATOM 0 HD2 PHE A 17 14.153 -15.525 -9.915 1.00 55.04 H new ATOM 0 HE1 PHE A 17 15.643 -15.467 -5.228 1.00 42.14 H new ATOM 0 HE2 PHE A 17 15.725 -17.229 -9.108 1.00 30.25 H new ATOM 0 HZ PHE A 17 16.477 -17.201 -6.764 1.00 44.11 H new ATOM 270 N ILE A 18 10.448 -11.560 -7.689 1.00 5.31 N ATOM 271 CA ILE A 18 9.700 -10.370 -8.074 1.00 25.12 C ATOM 272 C ILE A 18 10.439 -9.131 -7.581 1.00 12.44 C ATOM 273 O ILE A 18 11.077 -9.167 -6.533 1.00 61.43 O ATOM 274 CB ILE A 18 8.254 -10.388 -7.509 1.00 41.31 C ATOM 275 CG1 ILE A 18 7.482 -11.590 -8.061 1.00 3.52 C ATOM 276 CG2 ILE A 18 7.519 -9.096 -7.842 1.00 53.45 C ATOM 277 CD1 ILE A 18 6.066 -11.704 -7.536 1.00 41.23 C ATOM 0 H ILE A 18 10.713 -11.587 -6.704 1.00 5.31 H new ATOM 0 HA ILE A 18 9.624 -10.352 -9.161 1.00 25.12 H new ATOM 0 HB ILE A 18 8.318 -10.474 -6.424 1.00 41.31 H new ATOM 0 HG12 ILE A 18 7.451 -11.521 -9.148 1.00 3.52 H new ATOM 0 HG13 ILE A 18 8.025 -12.502 -7.814 1.00 3.52 H new ATOM 0 HG21 ILE A 18 6.509 -9.136 -7.434 1.00 53.45 H new ATOM 0 HG22 ILE A 18 8.053 -8.251 -7.407 1.00 53.45 H new ATOM 0 HG23 ILE A 18 7.469 -8.975 -8.924 1.00 53.45 H new ATOM 0 HD11 ILE A 18 5.585 -12.579 -7.973 1.00 41.23 H new ATOM 0 HD12 ILE A 18 6.087 -11.806 -6.451 1.00 41.23 H new ATOM 0 HD13 ILE A 18 5.505 -10.809 -7.806 1.00 41.23 H new ATOM 289 N GLU A 19 10.373 -8.050 -8.335 1.00 53.33 N ATOM 290 CA GLU A 19 11.112 -6.849 -7.992 1.00 34.45 C ATOM 291 C GLU A 19 10.154 -5.735 -7.583 1.00 3.13 C ATOM 292 O GLU A 19 9.303 -5.318 -8.367 1.00 53.03 O ATOM 293 CB GLU A 19 11.968 -6.428 -9.185 1.00 44.23 C ATOM 294 CG GLU A 19 13.058 -5.429 -8.845 1.00 3.42 C ATOM 295 CD GLU A 19 13.996 -5.202 -10.007 1.00 75.31 C ATOM 296 OE1 GLU A 19 14.746 -6.136 -10.360 1.00 12.45 O ATOM 297 OE2 GLU A 19 13.986 -4.094 -10.579 1.00 12.42 O ATOM 0 H GLU A 19 9.817 -7.978 -9.187 1.00 53.33 H new ATOM 0 HA GLU A 19 11.766 -7.051 -7.143 1.00 34.45 H new ATOM 0 HB2 GLU A 19 12.427 -7.316 -9.620 1.00 44.23 H new ATOM 0 HB3 GLU A 19 11.321 -5.997 -9.949 1.00 44.23 H new ATOM 0 HG2 GLU A 19 12.604 -4.482 -8.554 1.00 3.42 H new ATOM 0 HG3 GLU A 19 13.625 -5.788 -7.986 1.00 3.42 H new ATOM 304 N ARG A 20 10.285 -5.266 -6.349 1.00 54.30 N ATOM 305 CA ARG A 20 9.419 -4.209 -5.837 1.00 55.44 C ATOM 306 C ARG A 20 10.021 -2.839 -6.119 1.00 34.13 C ATOM 307 O ARG A 20 11.231 -2.706 -6.303 1.00 63.10 O ATOM 308 CB ARG A 20 9.230 -4.341 -4.321 1.00 30.21 C ATOM 309 CG ARG A 20 8.643 -5.661 -3.855 1.00 3.30 C ATOM 310 CD ARG A 20 8.723 -5.780 -2.337 1.00 34.14 C ATOM 311 NE ARG A 20 10.111 -5.826 -1.860 1.00 4.50 N ATOM 312 CZ ARG A 20 10.474 -5.685 -0.581 1.00 62.22 C ATOM 313 NH1 ARG A 20 9.570 -5.393 0.347 1.00 24.54 N ATOM 314 NH2 ARG A 20 11.752 -5.818 -0.231 1.00 43.23 N ATOM 0 H ARG A 20 10.982 -5.600 -5.683 1.00 54.30 H new ATOM 0 HA ARG A 20 8.457 -4.308 -6.340 1.00 55.44 H new ATOM 0 HB2 ARG A 20 10.196 -4.201 -3.837 1.00 30.21 H new ATOM 0 HB3 ARG A 20 8.582 -3.533 -3.980 1.00 30.21 H new ATOM 0 HG2 ARG A 20 7.604 -5.737 -4.176 1.00 3.30 H new ATOM 0 HG3 ARG A 20 9.181 -6.488 -4.319 1.00 3.30 H new ATOM 0 HD2 ARG A 20 8.211 -4.934 -1.880 1.00 34.14 H new ATOM 0 HD3 ARG A 20 8.200 -6.681 -2.016 1.00 34.14 H new ATOM 0 HE ARG A 20 10.847 -5.975 -2.550 1.00 4.50 H new ATOM 0 HH11 ARG A 20 8.591 -5.275 0.086 1.00 24.54 H new ATOM 0 HH12 ARG A 20 9.855 -5.287 1.321 1.00 24.54 H new ATOM 0 HH21 ARG A 20 12.456 -6.028 -0.939 1.00 43.23 H new ATOM 0 HH22 ARG A 20 12.027 -5.710 0.745 1.00 43.23 H new ATOM 328 N GLU A 21 9.170 -1.823 -6.134 1.00 53.31 N ATOM 329 CA GLU A 21 9.630 -0.439 -6.173 1.00 14.54 C ATOM 330 C GLU A 21 10.112 -0.038 -4.776 1.00 21.33 C ATOM 331 O GLU A 21 10.773 0.981 -4.586 1.00 21.21 O ATOM 332 CB GLU A 21 8.486 0.475 -6.635 1.00 44.10 C ATOM 333 CG GLU A 21 8.882 1.932 -6.841 1.00 14.30 C ATOM 334 CD GLU A 21 9.854 2.131 -7.988 1.00 52.21 C ATOM 335 OE1 GLU A 21 9.411 2.114 -9.156 1.00 53.33 O ATOM 336 OE2 GLU A 21 11.061 2.320 -7.730 1.00 75.23 O ATOM 0 H GLU A 21 8.156 -1.930 -6.120 1.00 53.31 H new ATOM 0 HA GLU A 21 10.455 -0.338 -6.879 1.00 14.54 H new ATOM 0 HB2 GLU A 21 8.083 0.086 -7.570 1.00 44.10 H new ATOM 0 HB3 GLU A 21 7.683 0.431 -5.899 1.00 44.10 H new ATOM 0 HG2 GLU A 21 7.985 2.523 -7.027 1.00 14.30 H new ATOM 0 HG3 GLU A 21 9.330 2.313 -5.923 1.00 14.30 H new ATOM 343 N ASN A 22 9.764 -0.875 -3.803 1.00 2.05 N ATOM 344 CA ASN A 22 10.117 -0.652 -2.406 1.00 65.01 C ATOM 345 C ASN A 22 11.118 -1.714 -1.932 1.00 3.33 C ATOM 346 O ASN A 22 11.303 -1.927 -0.736 1.00 41.13 O ATOM 347 CB ASN A 22 8.841 -0.689 -1.552 1.00 43.24 C ATOM 348 CG ASN A 22 9.054 -0.254 -0.110 1.00 61.44 C ATOM 349 OD1 ASN A 22 9.979 0.667 0.116 1.00 3.32 O flip ATOM 350 ND2 ASN A 22 8.372 -0.735 0.796 1.00 45.12 N flip ATOM 0 H ASN A 22 9.228 -1.728 -3.962 1.00 2.05 H new ATOM 0 HA ASN A 22 10.590 0.325 -2.301 1.00 65.01 H new ATOM 0 HB2 ASN A 22 8.090 -0.044 -2.009 1.00 43.24 H new ATOM 0 HB3 ASN A 22 8.439 -1.702 -1.560 1.00 43.24 H new ATOM 0 HD21 ASN A 22 7.669 -1.443 0.584 1.00 45.12 H new ATOM 0 HD22 ASN A 22 8.511 -0.426 1.758 1.00 45.12 H new ATOM 357 N GLY A 23 11.777 -2.375 -2.879 1.00 43.34 N ATOM 358 CA GLY A 23 12.726 -3.412 -2.520 1.00 43.22 C ATOM 359 C GLY A 23 12.965 -4.399 -3.645 1.00 13.43 C ATOM 360 O GLY A 23 12.100 -5.223 -3.957 1.00 32.13 O ATOM 0 H GLY A 23 11.672 -2.213 -3.881 1.00 43.34 H new ATOM 0 HA2 GLY A 23 13.673 -2.951 -2.239 1.00 43.22 H new ATOM 0 HA3 GLY A 23 12.359 -3.947 -1.644 1.00 43.22 H new ATOM 364 N ASP A 24 14.143 -4.329 -4.245 1.00 53.41 N ATOM 365 CA ASP A 24 14.486 -5.182 -5.378 1.00 14.43 C ATOM 366 C ASP A 24 14.744 -6.621 -4.940 1.00 21.45 C ATOM 367 O ASP A 24 15.277 -6.865 -3.859 1.00 22.44 O ATOM 368 CB ASP A 24 15.714 -4.633 -6.118 1.00 41.31 C ATOM 369 CG ASP A 24 17.002 -4.745 -5.318 1.00 15.02 C ATOM 370 OD1 ASP A 24 17.255 -3.874 -4.455 1.00 1.44 O ATOM 371 OD2 ASP A 24 17.781 -5.693 -5.562 1.00 23.43 O ATOM 0 H ASP A 24 14.884 -3.686 -3.966 1.00 53.41 H new ATOM 0 HA ASP A 24 13.632 -5.181 -6.055 1.00 14.43 H new ATOM 0 HB2 ASP A 24 15.832 -5.170 -7.059 1.00 41.31 H new ATOM 0 HB3 ASP A 24 15.540 -3.586 -6.368 1.00 41.31 H new ATOM 376 N ASP A 25 14.332 -7.559 -5.798 1.00 34.24 N ATOM 377 CA ASP A 25 14.575 -8.997 -5.614 1.00 11.23 C ATOM 378 C ASP A 25 13.877 -9.557 -4.370 1.00 72.13 C ATOM 379 O ASP A 25 14.353 -9.408 -3.243 1.00 64.02 O ATOM 380 CB ASP A 25 16.077 -9.287 -5.558 1.00 55.44 C ATOM 381 CG ASP A 25 16.395 -10.770 -5.605 1.00 13.23 C ATOM 382 OD1 ASP A 25 16.216 -11.383 -6.680 1.00 60.40 O ATOM 383 OD2 ASP A 25 16.858 -11.316 -4.579 1.00 62.13 O ATOM 0 H ASP A 25 13.815 -7.341 -6.650 1.00 34.24 H new ATOM 0 HA ASP A 25 14.144 -9.503 -6.478 1.00 11.23 H new ATOM 0 HB2 ASP A 25 16.569 -8.788 -6.393 1.00 55.44 H new ATOM 0 HB3 ASP A 25 16.490 -8.861 -4.644 1.00 55.44 H new ATOM 388 N VAL A 26 12.732 -10.188 -4.589 1.00 52.33 N ATOM 389 CA VAL A 26 11.973 -10.817 -3.517 1.00 31.42 C ATOM 390 C VAL A 26 11.814 -12.308 -3.790 1.00 31.11 C ATOM 391 O VAL A 26 11.481 -12.708 -4.909 1.00 71.41 O ATOM 392 CB VAL A 26 10.576 -10.177 -3.367 1.00 41.44 C ATOM 393 CG1 VAL A 26 9.810 -10.797 -2.208 1.00 3.03 C ATOM 394 CG2 VAL A 26 10.699 -8.675 -3.185 1.00 12.23 C ATOM 0 H VAL A 26 12.304 -10.278 -5.511 1.00 52.33 H new ATOM 0 HA VAL A 26 12.526 -10.668 -2.590 1.00 31.42 H new ATOM 0 HB VAL A 26 10.014 -10.372 -4.281 1.00 41.44 H new ATOM 0 HG11 VAL A 26 8.830 -10.327 -2.126 1.00 3.03 H new ATOM 0 HG12 VAL A 26 9.686 -11.866 -2.384 1.00 3.03 H new ATOM 0 HG13 VAL A 26 10.364 -10.644 -1.282 1.00 3.03 H new ATOM 0 HG21 VAL A 26 9.706 -8.239 -3.081 1.00 12.23 H new ATOM 0 HG22 VAL A 26 11.284 -8.464 -2.290 1.00 12.23 H new ATOM 0 HG23 VAL A 26 11.196 -8.243 -4.054 1.00 12.23 H new ATOM 404 N PHE A 27 12.041 -13.118 -2.762 1.00 53.05 N ATOM 405 CA PHE A 27 11.995 -14.567 -2.893 1.00 25.03 C ATOM 406 C PHE A 27 10.557 -15.067 -2.823 1.00 73.31 C ATOM 407 O PHE A 27 9.945 -15.092 -1.755 1.00 22.40 O ATOM 408 CB PHE A 27 12.834 -15.223 -1.795 1.00 71.02 C ATOM 409 CG PHE A 27 14.257 -14.740 -1.758 1.00 54.43 C ATOM 410 CD1 PHE A 27 15.175 -15.176 -2.700 1.00 11.44 C ATOM 411 CD2 PHE A 27 14.675 -13.847 -0.784 1.00 41.14 C ATOM 412 CE1 PHE A 27 16.485 -14.733 -2.670 1.00 72.33 C ATOM 413 CE2 PHE A 27 15.983 -13.400 -0.748 1.00 2.11 C ATOM 414 CZ PHE A 27 16.890 -13.843 -1.693 1.00 64.32 C ATOM 0 H PHE A 27 12.260 -12.790 -1.821 1.00 53.05 H new ATOM 0 HA PHE A 27 12.409 -14.838 -3.864 1.00 25.03 H new ATOM 0 HB2 PHE A 27 12.368 -15.030 -0.829 1.00 71.02 H new ATOM 0 HB3 PHE A 27 12.829 -16.303 -1.941 1.00 71.02 H new ATOM 0 HD1 PHE A 27 14.864 -15.870 -3.467 1.00 11.44 H new ATOM 0 HD2 PHE A 27 13.971 -13.496 -0.044 1.00 41.14 H new ATOM 0 HE1 PHE A 27 17.191 -15.082 -3.409 1.00 72.33 H new ATOM 0 HE2 PHE A 27 16.296 -12.705 0.018 1.00 2.11 H new ATOM 0 HZ PHE A 27 17.912 -13.495 -1.668 1.00 64.32 H new ATOM 424 N VAL A 28 10.024 -15.461 -3.964 1.00 31.55 N ATOM 425 CA VAL A 28 8.646 -15.920 -4.061 1.00 61.44 C ATOM 426 C VAL A 28 8.548 -17.419 -3.798 1.00 30.53 C ATOM 427 O VAL A 28 9.324 -18.206 -4.346 1.00 41.23 O ATOM 428 CB VAL A 28 8.057 -15.603 -5.453 1.00 41.41 C ATOM 429 CG1 VAL A 28 6.607 -16.046 -5.553 1.00 71.23 C ATOM 430 CG2 VAL A 28 8.188 -14.122 -5.757 1.00 54.15 C ATOM 0 H VAL A 28 10.530 -15.473 -4.849 1.00 31.55 H new ATOM 0 HA VAL A 28 8.071 -15.390 -3.302 1.00 61.44 H new ATOM 0 HB VAL A 28 8.626 -16.163 -6.195 1.00 41.41 H new ATOM 0 HG11 VAL A 28 6.222 -15.809 -6.545 1.00 71.23 H new ATOM 0 HG12 VAL A 28 6.543 -17.121 -5.386 1.00 71.23 H new ATOM 0 HG13 VAL A 28 6.015 -15.526 -4.800 1.00 71.23 H new ATOM 0 HG21 VAL A 28 7.769 -13.914 -6.741 1.00 54.15 H new ATOM 0 HG22 VAL A 28 7.649 -13.547 -5.004 1.00 54.15 H new ATOM 0 HG23 VAL A 28 9.241 -13.840 -5.744 1.00 54.15 H new ATOM 440 N HIS A 29 7.604 -17.798 -2.941 1.00 53.52 N ATOM 441 CA HIS A 29 7.354 -19.202 -2.628 1.00 1.01 C ATOM 442 C HIS A 29 5.928 -19.578 -3.022 1.00 3.43 C ATOM 443 O HIS A 29 5.156 -18.720 -3.452 1.00 4.23 O ATOM 444 CB HIS A 29 7.569 -19.475 -1.135 1.00 33.11 C ATOM 445 CG HIS A 29 8.997 -19.366 -0.690 1.00 22.11 C ATOM 446 ND1 HIS A 29 9.769 -20.461 -0.377 1.00 2.30 N ATOM 447 CD2 HIS A 29 9.785 -18.282 -0.487 1.00 54.30 C ATOM 448 CE1 HIS A 29 10.967 -20.060 0.003 1.00 20.22 C ATOM 449 NE2 HIS A 29 11.006 -18.742 -0.054 1.00 21.24 N ATOM 0 H HIS A 29 6.995 -17.146 -2.447 1.00 53.52 H new ATOM 0 HA HIS A 29 8.059 -19.810 -3.195 1.00 1.01 H new ATOM 0 HB2 HIS A 29 6.966 -18.774 -0.558 1.00 33.11 H new ATOM 0 HB3 HIS A 29 7.203 -20.475 -0.904 1.00 33.11 H new ATOM 0 HD2 HIS A 29 9.506 -17.250 -0.637 1.00 54.30 H new ATOM 0 HE1 HIS A 29 11.779 -20.702 0.309 1.00 20.22 H new ATOM 0 HE2 HIS A 29 11.810 -18.161 0.184 1.00 21.24 H new ATOM 458 N PHE A 30 5.567 -20.846 -2.838 1.00 11.01 N ATOM 459 CA PHE A 30 4.244 -21.338 -3.232 1.00 31.14 C ATOM 460 C PHE A 30 3.137 -20.718 -2.375 1.00 51.15 C ATOM 461 O PHE A 30 1.954 -20.832 -2.697 1.00 24.42 O ATOM 462 CB PHE A 30 4.188 -22.871 -3.151 1.00 32.30 C ATOM 463 CG PHE A 30 4.373 -23.432 -1.767 1.00 10.23 C ATOM 464 CD1 PHE A 30 5.641 -23.659 -1.260 1.00 60.05 C ATOM 465 CD2 PHE A 30 3.275 -23.740 -0.979 1.00 21.44 C ATOM 466 CE1 PHE A 30 5.812 -24.182 0.008 1.00 52.32 C ATOM 467 CE2 PHE A 30 3.440 -24.265 0.289 1.00 54.33 C ATOM 468 CZ PHE A 30 4.711 -24.485 0.783 1.00 61.23 C ATOM 0 H PHE A 30 6.170 -21.553 -2.419 1.00 11.01 H new ATOM 0 HA PHE A 30 4.076 -21.036 -4.266 1.00 31.14 H new ATOM 0 HB2 PHE A 30 3.227 -23.207 -3.540 1.00 32.30 H new ATOM 0 HB3 PHE A 30 4.958 -23.285 -3.802 1.00 32.30 H new ATOM 0 HD1 PHE A 30 6.506 -23.425 -1.862 1.00 60.05 H new ATOM 0 HD2 PHE A 30 2.279 -23.568 -1.360 1.00 21.44 H new ATOM 0 HE1 PHE A 30 6.807 -24.353 0.392 1.00 52.32 H new ATOM 0 HE2 PHE A 30 2.576 -24.503 0.893 1.00 54.33 H new ATOM 0 HZ PHE A 30 4.843 -24.893 1.774 1.00 61.23 H new ATOM 478 N SER A 31 3.530 -20.061 -1.290 1.00 23.50 N ATOM 479 CA SER A 31 2.589 -19.381 -0.411 1.00 12.34 C ATOM 480 C SER A 31 2.115 -18.062 -1.025 1.00 20.34 C ATOM 481 O SER A 31 1.118 -17.481 -0.593 1.00 25.32 O ATOM 482 CB SER A 31 3.252 -19.138 0.944 1.00 54.13 C ATOM 483 OG SER A 31 4.593 -18.704 0.772 1.00 13.33 O ATOM 0 H SER A 31 4.504 -19.985 -0.997 1.00 23.50 H new ATOM 0 HA SER A 31 1.711 -20.013 -0.276 1.00 12.34 H new ATOM 0 HB2 SER A 31 2.690 -18.389 1.501 1.00 54.13 H new ATOM 0 HB3 SER A 31 3.233 -20.054 1.534 1.00 54.13 H new ATOM 0 HG SER A 31 5.192 -19.480 0.783 1.00 13.33 H new ATOM 489 N ALA A 32 2.841 -17.595 -2.037 1.00 2.13 N ATOM 490 CA ALA A 32 2.481 -16.375 -2.746 1.00 62.11 C ATOM 491 C ALA A 32 1.444 -16.664 -3.821 1.00 12.52 C ATOM 492 O ALA A 32 0.618 -15.812 -4.152 1.00 1.22 O ATOM 493 CB ALA A 32 3.719 -15.740 -3.359 1.00 72.12 C ATOM 0 H ALA A 32 3.687 -18.047 -2.385 1.00 2.13 H new ATOM 0 HA ALA A 32 2.046 -15.676 -2.032 1.00 62.11 H new ATOM 0 HB1 ALA A 32 3.437 -14.829 -3.886 1.00 72.12 H new ATOM 0 HB2 ALA A 32 4.432 -15.497 -2.571 1.00 72.12 H new ATOM 0 HB3 ALA A 32 4.177 -16.438 -4.060 1.00 72.12 H new ATOM 499 N ILE A 33 1.495 -17.877 -4.352 1.00 61.41 N ATOM 500 CA ILE A 33 0.576 -18.305 -5.394 1.00 50.13 C ATOM 501 C ILE A 33 -0.860 -18.293 -4.872 1.00 11.05 C ATOM 502 O ILE A 33 -1.131 -18.710 -3.741 1.00 73.42 O ATOM 503 CB ILE A 33 0.954 -19.713 -5.937 1.00 45.34 C ATOM 504 CG1 ILE A 33 2.125 -19.623 -6.929 1.00 71.43 C ATOM 505 CG2 ILE A 33 -0.235 -20.393 -6.603 1.00 65.23 C ATOM 506 CD1 ILE A 33 3.435 -19.171 -6.319 1.00 72.53 C ATOM 0 H ILE A 33 2.171 -18.588 -4.074 1.00 61.41 H new ATOM 0 HA ILE A 33 0.652 -17.601 -6.223 1.00 50.13 H new ATOM 0 HB ILE A 33 1.259 -20.316 -5.082 1.00 45.34 H new ATOM 0 HG12 ILE A 33 2.271 -20.601 -7.388 1.00 71.43 H new ATOM 0 HG13 ILE A 33 1.854 -18.933 -7.728 1.00 71.43 H new ATOM 0 HG21 ILE A 33 0.066 -21.374 -6.970 1.00 65.23 H new ATOM 0 HG22 ILE A 33 -1.041 -20.508 -5.878 1.00 65.23 H new ATOM 0 HG23 ILE A 33 -0.582 -19.784 -7.438 1.00 65.23 H new ATOM 0 HD11 ILE A 33 4.203 -19.137 -7.091 1.00 72.53 H new ATOM 0 HD12 ILE A 33 3.311 -18.178 -5.886 1.00 72.53 H new ATOM 0 HD13 ILE A 33 3.735 -19.872 -5.540 1.00 72.53 H new ATOM 518 N GLN A 34 -1.766 -17.794 -5.693 1.00 32.34 N ATOM 519 CA GLN A 34 -3.159 -17.656 -5.311 1.00 21.21 C ATOM 520 C GLN A 34 -3.997 -18.777 -5.913 1.00 63.22 C ATOM 521 O GLN A 34 -3.486 -19.620 -6.652 1.00 64.33 O ATOM 522 CB GLN A 34 -3.708 -16.283 -5.738 1.00 22.55 C ATOM 523 CG GLN A 34 -3.668 -16.009 -7.238 1.00 51.12 C ATOM 524 CD GLN A 34 -2.263 -15.802 -7.780 1.00 71.31 C ATOM 525 OE1 GLN A 34 -1.607 -16.744 -8.220 1.00 13.43 O ATOM 526 NE2 GLN A 34 -1.776 -14.575 -7.716 1.00 15.34 N ATOM 0 H GLN A 34 -1.558 -17.474 -6.639 1.00 32.34 H new ATOM 0 HA GLN A 34 -3.221 -17.727 -4.225 1.00 21.21 H new ATOM 0 HB2 GLN A 34 -4.740 -16.199 -5.396 1.00 22.55 H new ATOM 0 HB3 GLN A 34 -3.139 -15.506 -5.227 1.00 22.55 H new ATOM 0 HG2 GLN A 34 -4.132 -16.843 -7.764 1.00 51.12 H new ATOM 0 HG3 GLN A 34 -4.266 -15.124 -7.454 1.00 51.12 H new ATOM 0 HE21 GLN A 34 -2.349 -13.817 -7.345 1.00 15.34 H new ATOM 0 HE22 GLN A 34 -0.827 -14.386 -8.038 1.00 15.34 H new ATOM 535 N GLY A 35 -5.280 -18.794 -5.578 1.00 34.32 N ATOM 536 CA GLY A 35 -6.176 -19.792 -6.122 1.00 62.13 C ATOM 537 C GLY A 35 -6.605 -19.461 -7.537 1.00 63.24 C ATOM 538 O GLY A 35 -5.772 -19.086 -8.365 1.00 70.44 O ATOM 0 H GLY A 35 -5.716 -18.131 -4.937 1.00 34.32 H new ATOM 0 HA2 GLY A 35 -5.684 -20.765 -6.111 1.00 62.13 H new ATOM 0 HA3 GLY A 35 -7.057 -19.873 -5.486 1.00 62.13 H new ATOM 542 N ASP A 36 -7.904 -19.623 -7.817 1.00 5.32 N ATOM 543 CA ASP A 36 -8.496 -19.293 -9.126 1.00 71.11 C ATOM 544 C ASP A 36 -8.064 -20.289 -10.207 1.00 32.04 C ATOM 545 O ASP A 36 -8.862 -20.685 -11.058 1.00 14.11 O ATOM 546 CB ASP A 36 -8.132 -17.863 -9.560 1.00 62.40 C ATOM 547 CG ASP A 36 -8.712 -16.790 -8.652 1.00 64.34 C ATOM 548 OD1 ASP A 36 -8.298 -16.702 -7.477 1.00 75.11 O ATOM 549 OD2 ASP A 36 -9.579 -16.016 -9.116 1.00 15.14 O ATOM 0 H ASP A 36 -8.578 -19.987 -7.143 1.00 5.32 H new ATOM 0 HA ASP A 36 -9.578 -19.359 -9.009 1.00 71.11 H new ATOM 0 HB2 ASP A 36 -7.047 -17.763 -9.581 1.00 62.40 H new ATOM 0 HB3 ASP A 36 -8.487 -17.699 -10.577 1.00 62.40 H new ATOM 554 N GLY A 37 -6.803 -20.681 -10.165 1.00 61.12 N ATOM 555 CA GLY A 37 -6.262 -21.616 -11.129 1.00 10.23 C ATOM 556 C GLY A 37 -4.876 -21.211 -11.589 1.00 60.23 C ATOM 557 O GLY A 37 -4.456 -21.547 -12.697 1.00 21.33 O ATOM 0 H GLY A 37 -6.132 -20.362 -9.467 1.00 61.12 H new ATOM 0 HA2 GLY A 37 -6.222 -22.611 -10.687 1.00 10.23 H new ATOM 0 HA3 GLY A 37 -6.928 -21.676 -11.990 1.00 10.23 H new ATOM 561 N PHE A 38 -4.157 -20.494 -10.735 1.00 74.21 N ATOM 562 CA PHE A 38 -2.852 -19.969 -11.095 1.00 41.51 C ATOM 563 C PHE A 38 -1.729 -20.709 -10.382 1.00 32.13 C ATOM 564 O PHE A 38 -1.948 -21.388 -9.376 1.00 61.45 O ATOM 565 CB PHE A 38 -2.763 -18.475 -10.768 1.00 51.11 C ATOM 566 CG PHE A 38 -3.689 -17.617 -11.580 1.00 21.21 C ATOM 567 CD1 PHE A 38 -3.346 -17.229 -12.864 1.00 21.25 C ATOM 568 CD2 PHE A 38 -4.899 -17.193 -11.057 1.00 63.45 C ATOM 569 CE1 PHE A 38 -4.193 -16.434 -13.612 1.00 45.42 C ATOM 570 CE2 PHE A 38 -5.750 -16.399 -11.800 1.00 74.20 C ATOM 571 CZ PHE A 38 -5.398 -16.020 -13.080 1.00 2.23 C ATOM 0 H PHE A 38 -4.458 -20.264 -9.788 1.00 74.21 H new ATOM 0 HA PHE A 38 -2.733 -20.116 -12.168 1.00 41.51 H new ATOM 0 HB2 PHE A 38 -2.984 -18.331 -9.710 1.00 51.11 H new ATOM 0 HB3 PHE A 38 -1.739 -18.139 -10.928 1.00 51.11 H new ATOM 0 HD1 PHE A 38 -2.406 -17.551 -13.286 1.00 21.25 H new ATOM 0 HD2 PHE A 38 -5.180 -17.487 -10.057 1.00 63.45 H new ATOM 0 HE1 PHE A 38 -3.913 -16.137 -14.612 1.00 45.42 H new ATOM 0 HE2 PHE A 38 -6.691 -16.075 -11.380 1.00 74.20 H new ATOM 0 HZ PHE A 38 -6.063 -15.401 -13.664 1.00 2.23 H new ATOM 581 N LYS A 39 -0.533 -20.568 -10.935 1.00 23.12 N ATOM 582 CA LYS A 39 0.693 -21.094 -10.349 1.00 13.42 C ATOM 583 C LYS A 39 1.873 -20.619 -11.184 1.00 13.30 C ATOM 584 O LYS A 39 2.974 -20.409 -10.676 1.00 41.25 O ATOM 585 CB LYS A 39 0.667 -22.632 -10.240 1.00 54.14 C ATOM 586 CG LYS A 39 0.742 -23.389 -11.561 1.00 65.42 C ATOM 587 CD LYS A 39 2.168 -23.811 -11.892 1.00 33.01 C ATOM 588 CE LYS A 39 2.212 -24.735 -13.099 1.00 12.50 C ATOM 589 NZ LYS A 39 1.494 -26.012 -12.850 1.00 21.34 N ATOM 0 H LYS A 39 -0.384 -20.078 -11.817 1.00 23.12 H new ATOM 0 HA LYS A 39 0.789 -20.719 -9.330 1.00 13.42 H new ATOM 0 HB2 LYS A 39 1.501 -22.948 -9.613 1.00 54.14 H new ATOM 0 HB3 LYS A 39 -0.248 -22.926 -9.725 1.00 54.14 H new ATOM 0 HG2 LYS A 39 0.104 -24.272 -11.511 1.00 65.42 H new ATOM 0 HG3 LYS A 39 0.354 -22.761 -12.362 1.00 65.42 H new ATOM 0 HD2 LYS A 39 2.774 -22.926 -12.088 1.00 33.01 H new ATOM 0 HD3 LYS A 39 2.608 -24.314 -11.031 1.00 33.01 H new ATOM 0 HE2 LYS A 39 1.768 -24.231 -13.957 1.00 12.50 H new ATOM 0 HE3 LYS A 39 3.250 -24.947 -13.356 1.00 12.50 H new ATOM 0 HZ1 LYS A 39 2.110 -26.811 -13.100 1.00 21.34 H new ATOM 0 HZ2 LYS A 39 1.236 -26.075 -11.844 1.00 21.34 H new ATOM 0 HZ3 LYS A 39 0.632 -26.045 -13.431 1.00 21.34 H new ATOM 603 N SER A 40 1.622 -20.445 -12.477 1.00 64.21 N ATOM 604 CA SER A 40 2.587 -19.847 -13.376 1.00 2.24 C ATOM 605 C SER A 40 2.301 -18.355 -13.503 1.00 42.04 C ATOM 606 O SER A 40 1.185 -17.954 -13.843 1.00 23.40 O ATOM 607 CB SER A 40 2.510 -20.514 -14.752 1.00 63.30 C ATOM 608 OG SER A 40 2.505 -21.929 -14.637 1.00 53.50 O ATOM 0 H SER A 40 0.746 -20.715 -12.924 1.00 64.21 H new ATOM 0 HA SER A 40 3.590 -19.991 -12.975 1.00 2.24 H new ATOM 0 HB2 SER A 40 1.608 -20.185 -15.268 1.00 63.30 H new ATOM 0 HB3 SER A 40 3.358 -20.199 -15.360 1.00 63.30 H new ATOM 0 HG SER A 40 2.454 -22.330 -15.530 1.00 53.50 H new ATOM 614 N LEU A 41 3.296 -17.537 -13.219 1.00 71.10 N ATOM 615 CA LEU A 41 3.140 -16.097 -13.314 1.00 65.41 C ATOM 616 C LEU A 41 3.879 -15.580 -14.533 1.00 31.34 C ATOM 617 O LEU A 41 4.908 -16.133 -14.920 1.00 33.51 O ATOM 618 CB LEU A 41 3.658 -15.406 -12.049 1.00 64.42 C ATOM 619 CG LEU A 41 2.907 -15.755 -10.763 1.00 51.10 C ATOM 620 CD1 LEU A 41 3.542 -15.056 -9.569 1.00 23.03 C ATOM 621 CD2 LEU A 41 1.438 -15.374 -10.880 1.00 63.32 C ATOM 0 H LEU A 41 4.222 -17.844 -12.920 1.00 71.10 H new ATOM 0 HA LEU A 41 2.079 -15.870 -13.413 1.00 65.41 H new ATOM 0 HB2 LEU A 41 4.709 -15.663 -11.918 1.00 64.42 H new ATOM 0 HB3 LEU A 41 3.610 -14.327 -12.198 1.00 64.42 H new ATOM 0 HG LEU A 41 2.972 -16.832 -10.610 1.00 51.10 H new ATOM 0 HD11 LEU A 41 2.995 -15.315 -8.662 1.00 23.03 H new ATOM 0 HD12 LEU A 41 4.580 -15.375 -9.471 1.00 23.03 H new ATOM 0 HD13 LEU A 41 3.506 -13.977 -9.718 1.00 23.03 H new ATOM 0 HD21 LEU A 41 0.921 -15.630 -9.955 1.00 63.32 H new ATOM 0 HD22 LEU A 41 1.353 -14.302 -11.058 1.00 63.32 H new ATOM 0 HD23 LEU A 41 0.986 -15.917 -11.710 1.00 63.32 H new ATOM 633 N ASP A 42 3.358 -14.524 -15.130 1.00 43.32 N ATOM 634 CA ASP A 42 3.939 -13.984 -16.346 1.00 13.54 C ATOM 635 C ASP A 42 5.113 -13.079 -16.012 1.00 40.52 C ATOM 636 O ASP A 42 4.966 -12.079 -15.298 1.00 14.24 O ATOM 637 CB ASP A 42 2.892 -13.191 -17.139 1.00 70.15 C ATOM 638 CG ASP A 42 1.678 -14.017 -17.516 1.00 31.21 C ATOM 639 OD1 ASP A 42 0.763 -14.151 -16.677 1.00 74.31 O ATOM 640 OD2 ASP A 42 1.621 -14.512 -18.662 1.00 34.31 O ATOM 0 H ASP A 42 2.535 -14.024 -14.794 1.00 43.32 H new ATOM 0 HA ASP A 42 4.288 -14.818 -16.955 1.00 13.54 H new ATOM 0 HB2 ASP A 42 2.571 -12.333 -16.548 1.00 70.15 H new ATOM 0 HB3 ASP A 42 3.353 -12.799 -18.046 1.00 70.15 H new ATOM 645 N GLU A 43 6.277 -13.423 -16.539 1.00 63.00 N ATOM 646 CA GLU A 43 7.473 -12.638 -16.290 1.00 61.24 C ATOM 647 C GLU A 43 7.431 -11.348 -17.095 1.00 75.41 C ATOM 648 O GLU A 43 7.379 -11.361 -18.323 1.00 73.53 O ATOM 649 CB GLU A 43 8.764 -13.449 -16.548 1.00 40.12 C ATOM 650 CG GLU A 43 8.674 -14.529 -17.625 1.00 34.35 C ATOM 651 CD GLU A 43 8.708 -13.989 -19.040 1.00 41.15 C ATOM 652 OE1 GLU A 43 9.805 -13.636 -19.519 1.00 12.10 O ATOM 653 OE2 GLU A 43 7.646 -13.947 -19.695 1.00 32.35 O ATOM 0 H GLU A 43 6.418 -14.236 -17.138 1.00 63.00 H new ATOM 0 HA GLU A 43 7.493 -12.374 -15.233 1.00 61.24 H new ATOM 0 HB2 GLU A 43 9.557 -12.754 -16.824 1.00 40.12 H new ATOM 0 HB3 GLU A 43 9.066 -13.921 -15.613 1.00 40.12 H new ATOM 0 HG2 GLU A 43 9.499 -15.229 -17.494 1.00 34.35 H new ATOM 0 HG3 GLU A 43 7.752 -15.093 -17.484 1.00 34.35 H new ATOM 660 N GLY A 44 7.422 -10.235 -16.383 1.00 20.54 N ATOM 661 CA GLY A 44 7.281 -8.951 -17.027 1.00 10.05 C ATOM 662 C GLY A 44 6.020 -8.220 -16.602 1.00 52.34 C ATOM 663 O GLY A 44 5.892 -7.021 -16.841 1.00 74.51 O ATOM 0 H GLY A 44 7.510 -10.199 -15.367 1.00 20.54 H new ATOM 0 HA2 GLY A 44 8.150 -8.335 -16.795 1.00 10.05 H new ATOM 0 HA3 GLY A 44 7.269 -9.090 -18.108 1.00 10.05 H new ATOM 667 N GLN A 45 5.084 -8.925 -15.967 1.00 63.02 N ATOM 668 CA GLN A 45 3.838 -8.291 -15.540 1.00 71.22 C ATOM 669 C GLN A 45 3.974 -7.729 -14.127 1.00 4.14 C ATOM 670 O GLN A 45 4.824 -8.172 -13.352 1.00 74.34 O ATOM 671 CB GLN A 45 2.667 -9.276 -15.597 1.00 22.34 C ATOM 672 CG GLN A 45 2.613 -10.252 -14.431 1.00 63.50 C ATOM 673 CD GLN A 45 1.434 -11.202 -14.520 1.00 31.35 C ATOM 674 OE1 GLN A 45 0.397 -10.870 -15.093 1.00 11.25 O ATOM 675 NE2 GLN A 45 1.582 -12.382 -13.937 1.00 44.11 N ATOM 0 H GLN A 45 5.162 -9.916 -15.740 1.00 63.02 H new ATOM 0 HA GLN A 45 3.634 -7.472 -16.229 1.00 71.22 H new ATOM 0 HB2 GLN A 45 1.734 -8.712 -15.627 1.00 22.34 H new ATOM 0 HB3 GLN A 45 2.728 -9.842 -16.527 1.00 22.34 H new ATOM 0 HG2 GLN A 45 3.538 -10.828 -14.401 1.00 63.50 H new ATOM 0 HG3 GLN A 45 2.555 -9.693 -13.497 1.00 63.50 H new ATOM 0 HE21 GLN A 45 2.460 -12.615 -13.473 1.00 44.11 H new ATOM 0 HE22 GLN A 45 0.818 -13.058 -13.952 1.00 44.11 H new ATOM 684 N ALA A 46 3.133 -6.757 -13.797 1.00 73.34 N ATOM 685 CA ALA A 46 3.150 -6.146 -12.476 1.00 2.44 C ATOM 686 C ALA A 46 2.068 -6.747 -11.589 1.00 24.52 C ATOM 687 O ALA A 46 0.929 -6.932 -12.025 1.00 32.44 O ATOM 688 CB ALA A 46 2.959 -4.641 -12.581 1.00 53.33 C ATOM 0 H ALA A 46 2.429 -6.375 -14.429 1.00 73.34 H new ATOM 0 HA ALA A 46 4.122 -6.347 -12.024 1.00 2.44 H new ATOM 0 HB1 ALA A 46 2.975 -4.202 -11.584 1.00 53.33 H new ATOM 0 HB2 ALA A 46 3.764 -4.213 -13.179 1.00 53.33 H new ATOM 0 HB3 ALA A 46 2.001 -4.428 -13.056 1.00 53.33 H new ATOM 694 N VAL A 47 2.426 -7.054 -10.352 1.00 20.30 N ATOM 695 CA VAL A 47 1.478 -7.612 -9.395 1.00 21.11 C ATOM 696 C VAL A 47 1.615 -6.936 -8.039 1.00 35.02 C ATOM 697 O VAL A 47 2.614 -6.269 -7.767 1.00 14.51 O ATOM 698 CB VAL A 47 1.661 -9.134 -9.208 1.00 20.23 C ATOM 699 CG1 VAL A 47 1.322 -9.886 -10.486 1.00 53.02 C ATOM 700 CG2 VAL A 47 3.079 -9.452 -8.755 1.00 3.43 C ATOM 0 H VAL A 47 3.369 -6.926 -9.984 1.00 20.30 H new ATOM 0 HA VAL A 47 0.485 -7.429 -9.807 1.00 21.11 H new ATOM 0 HB VAL A 47 0.971 -9.464 -8.432 1.00 20.23 H new ATOM 0 HG11 VAL A 47 1.459 -10.955 -10.326 1.00 53.02 H new ATOM 0 HG12 VAL A 47 0.285 -9.690 -10.759 1.00 53.02 H new ATOM 0 HG13 VAL A 47 1.978 -9.552 -11.290 1.00 53.02 H new ATOM 0 HG21 VAL A 47 3.188 -10.529 -8.629 1.00 3.43 H new ATOM 0 HG22 VAL A 47 3.788 -9.101 -9.505 1.00 3.43 H new ATOM 0 HG23 VAL A 47 3.278 -8.954 -7.806 1.00 3.43 H new ATOM 710 N THR A 48 0.608 -7.112 -7.196 1.00 52.45 N ATOM 711 CA THR A 48 0.642 -6.579 -5.845 1.00 5.32 C ATOM 712 C THR A 48 0.532 -7.723 -4.847 1.00 11.52 C ATOM 713 O THR A 48 -0.298 -8.605 -5.007 1.00 75.44 O ATOM 714 CB THR A 48 -0.514 -5.586 -5.612 1.00 55.04 C ATOM 715 OG1 THR A 48 -0.611 -4.679 -6.719 1.00 4.15 O ATOM 716 CG2 THR A 48 -0.305 -4.793 -4.330 1.00 42.25 C ATOM 0 H THR A 48 -0.245 -7.622 -7.426 1.00 52.45 H new ATOM 0 HA THR A 48 1.585 -6.050 -5.708 1.00 5.32 H new ATOM 0 HB THR A 48 -1.437 -6.159 -5.521 1.00 55.04 H new ATOM 0 HG1 THR A 48 -1.504 -4.276 -6.734 1.00 4.15 H new ATOM 0 HG21 THR A 48 -1.135 -4.101 -4.191 1.00 42.25 H new ATOM 0 HG22 THR A 48 -0.257 -5.477 -3.483 1.00 42.25 H new ATOM 0 HG23 THR A 48 0.627 -4.233 -4.397 1.00 42.25 H new ATOM 724 N PHE A 49 1.362 -7.714 -3.827 1.00 40.10 N ATOM 725 CA PHE A 49 1.352 -8.774 -2.836 1.00 50.31 C ATOM 726 C PHE A 49 1.797 -8.238 -1.490 1.00 30.03 C ATOM 727 O PHE A 49 1.996 -7.024 -1.329 1.00 2.34 O ATOM 728 CB PHE A 49 2.253 -9.937 -3.284 1.00 42.45 C ATOM 729 CG PHE A 49 3.681 -9.555 -3.572 1.00 61.54 C ATOM 730 CD1 PHE A 49 4.052 -9.103 -4.828 1.00 33.45 C ATOM 731 CD2 PHE A 49 4.653 -9.662 -2.590 1.00 14.23 C ATOM 732 CE1 PHE A 49 5.362 -8.757 -5.096 1.00 43.23 C ATOM 733 CE2 PHE A 49 5.965 -9.319 -2.852 1.00 23.53 C ATOM 734 CZ PHE A 49 6.321 -8.867 -4.106 1.00 32.32 C ATOM 0 H PHE A 49 2.055 -6.984 -3.660 1.00 40.10 H new ATOM 0 HA PHE A 49 0.334 -9.151 -2.737 1.00 50.31 H new ATOM 0 HB2 PHE A 49 2.246 -10.703 -2.509 1.00 42.45 H new ATOM 0 HB3 PHE A 49 1.824 -10.386 -4.180 1.00 42.45 H new ATOM 0 HD1 PHE A 49 3.308 -9.020 -5.607 1.00 33.45 H new ATOM 0 HD2 PHE A 49 4.381 -10.018 -1.607 1.00 14.23 H new ATOM 0 HE1 PHE A 49 5.637 -8.401 -6.078 1.00 43.23 H new ATOM 0 HE2 PHE A 49 6.711 -9.405 -2.076 1.00 23.53 H new ATOM 0 HZ PHE A 49 7.347 -8.600 -4.314 1.00 32.32 H new ATOM 744 N ASP A 50 1.907 -9.120 -0.510 1.00 74.11 N ATOM 745 CA ASP A 50 2.535 -8.741 0.745 1.00 52.21 C ATOM 746 C ASP A 50 3.757 -9.614 0.984 1.00 24.42 C ATOM 747 O ASP A 50 3.915 -10.663 0.361 1.00 43.03 O ATOM 748 CB ASP A 50 1.559 -8.792 1.928 1.00 73.11 C ATOM 749 CG ASP A 50 1.189 -10.189 2.367 1.00 60.54 C ATOM 750 OD1 ASP A 50 0.250 -10.771 1.789 1.00 2.12 O ATOM 751 OD2 ASP A 50 1.799 -10.685 3.336 1.00 62.03 O ATOM 0 H ASP A 50 1.577 -10.084 -0.556 1.00 74.11 H new ATOM 0 HA ASP A 50 2.852 -7.701 0.667 1.00 52.21 H new ATOM 0 HB2 ASP A 50 2.001 -8.263 2.772 1.00 73.11 H new ATOM 0 HB3 ASP A 50 0.650 -8.256 1.657 1.00 73.11 H new ATOM 756 N VAL A 51 4.648 -9.171 1.850 1.00 33.01 N ATOM 757 CA VAL A 51 5.917 -9.856 2.010 1.00 31.11 C ATOM 758 C VAL A 51 6.216 -10.147 3.474 1.00 31.04 C ATOM 759 O VAL A 51 5.931 -9.335 4.358 1.00 21.54 O ATOM 760 CB VAL A 51 7.074 -9.033 1.386 1.00 70.31 C ATOM 761 CG1 VAL A 51 7.375 -7.784 2.201 1.00 55.33 C ATOM 762 CG2 VAL A 51 8.324 -9.880 1.228 1.00 4.42 C ATOM 0 H VAL A 51 4.521 -8.353 2.445 1.00 33.01 H new ATOM 0 HA VAL A 51 5.838 -10.807 1.484 1.00 31.11 H new ATOM 0 HB VAL A 51 6.747 -8.715 0.396 1.00 70.31 H new ATOM 0 HG11 VAL A 51 8.191 -7.233 1.734 1.00 55.33 H new ATOM 0 HG12 VAL A 51 6.487 -7.153 2.241 1.00 55.33 H new ATOM 0 HG13 VAL A 51 7.663 -8.070 3.213 1.00 55.33 H new ATOM 0 HG21 VAL A 51 9.119 -9.277 0.788 1.00 4.42 H new ATOM 0 HG22 VAL A 51 8.643 -10.244 2.205 1.00 4.42 H new ATOM 0 HG23 VAL A 51 8.109 -10.728 0.577 1.00 4.42 H new ATOM 772 N GLU A 52 6.769 -11.318 3.729 1.00 12.12 N ATOM 773 CA GLU A 52 7.234 -11.661 5.054 1.00 62.23 C ATOM 774 C GLU A 52 8.749 -11.545 5.108 1.00 43.14 C ATOM 775 O GLU A 52 9.472 -12.407 4.605 1.00 51.30 O ATOM 776 CB GLU A 52 6.797 -13.075 5.435 1.00 44.14 C ATOM 777 CG GLU A 52 5.291 -13.232 5.558 1.00 34.51 C ATOM 778 CD GLU A 52 4.898 -14.599 6.073 1.00 65.52 C ATOM 779 OE1 GLU A 52 5.150 -14.879 7.265 1.00 23.44 O ATOM 780 OE2 GLU A 52 4.349 -15.402 5.293 1.00 53.11 O ATOM 0 H GLU A 52 6.906 -12.049 3.031 1.00 12.12 H new ATOM 0 HA GLU A 52 6.793 -10.968 5.770 1.00 62.23 H new ATOM 0 HB2 GLU A 52 7.167 -13.775 4.686 1.00 44.14 H new ATOM 0 HB3 GLU A 52 7.261 -13.347 6.383 1.00 44.14 H new ATOM 0 HG2 GLU A 52 4.902 -12.467 6.230 1.00 34.51 H new ATOM 0 HG3 GLU A 52 4.830 -13.066 4.584 1.00 34.51 H new ATOM 787 N GLU A 53 9.220 -10.457 5.691 1.00 32.22 N ATOM 788 CA GLU A 53 10.646 -10.222 5.831 1.00 34.31 C ATOM 789 C GLU A 53 11.144 -10.919 7.087 1.00 31.54 C ATOM 790 O GLU A 53 10.652 -10.657 8.183 1.00 0.12 O ATOM 791 CB GLU A 53 10.922 -8.718 5.887 1.00 23.04 C ATOM 792 CG GLU A 53 10.365 -7.971 4.683 1.00 44.41 C ATOM 793 CD GLU A 53 10.496 -6.468 4.798 1.00 25.13 C ATOM 794 OE1 GLU A 53 9.604 -5.835 5.406 1.00 21.13 O ATOM 795 OE2 GLU A 53 11.481 -5.910 4.270 1.00 4.54 O ATOM 0 H GLU A 53 8.632 -9.718 6.077 1.00 32.22 H new ATOM 0 HA GLU A 53 11.178 -10.629 4.971 1.00 34.31 H new ATOM 0 HB2 GLU A 53 10.486 -8.307 6.797 1.00 23.04 H new ATOM 0 HB3 GLU A 53 11.998 -8.553 5.946 1.00 23.04 H new ATOM 0 HG2 GLU A 53 10.883 -8.306 3.785 1.00 44.41 H new ATOM 0 HG3 GLU A 53 9.313 -8.229 4.559 1.00 44.41 H new ATOM 802 N GLY A 54 12.093 -11.826 6.921 1.00 61.14 N ATOM 803 CA GLY A 54 12.525 -12.640 8.035 1.00 33.25 C ATOM 804 C GLY A 54 13.999 -12.494 8.352 1.00 64.21 C ATOM 805 O GLY A 54 14.625 -11.493 8.009 1.00 4.31 O ATOM 0 H GLY A 54 12.570 -12.012 6.039 1.00 61.14 H new ATOM 0 HA2 GLY A 54 11.943 -12.373 8.917 1.00 33.25 H new ATOM 0 HA3 GLY A 54 12.310 -13.686 7.816 1.00 33.25 H new ATOM 809 N GLN A 55 14.550 -13.535 8.965 1.00 53.30 N ATOM 810 CA GLN A 55 15.912 -13.528 9.495 1.00 34.34 C ATOM 811 C GLN A 55 16.966 -13.767 8.410 1.00 61.41 C ATOM 812 O GLN A 55 18.091 -14.175 8.705 1.00 43.01 O ATOM 813 CB GLN A 55 16.027 -14.611 10.569 1.00 52.31 C ATOM 814 CG GLN A 55 15.644 -16.001 10.067 1.00 54.43 C ATOM 815 CD GLN A 55 15.574 -17.038 11.173 1.00 11.40 C ATOM 816 OE1 GLN A 55 15.254 -16.722 12.318 1.00 75.33 O ATOM 817 NE2 GLN A 55 15.860 -18.286 10.836 1.00 31.04 N ATOM 0 H GLN A 55 14.060 -14.418 9.111 1.00 53.30 H new ATOM 0 HA GLN A 55 16.104 -12.540 9.914 1.00 34.34 H new ATOM 0 HB2 GLN A 55 17.051 -14.636 10.942 1.00 52.31 H new ATOM 0 HB3 GLN A 55 15.387 -14.347 11.411 1.00 52.31 H new ATOM 0 HG2 GLN A 55 14.677 -15.946 9.568 1.00 54.43 H new ATOM 0 HG3 GLN A 55 16.370 -16.324 9.321 1.00 54.43 H new ATOM 0 HE21 GLN A 55 16.121 -18.508 9.875 1.00 31.04 H new ATOM 0 HE22 GLN A 55 15.819 -19.026 11.537 1.00 31.04 H new ATOM 826 N ARG A 56 16.607 -13.506 7.164 1.00 53.50 N ATOM 827 CA ARG A 56 17.526 -13.683 6.048 1.00 73.15 C ATOM 828 C ARG A 56 17.122 -12.789 4.887 1.00 33.03 C ATOM 829 O ARG A 56 17.921 -11.995 4.392 1.00 13.02 O ATOM 830 CB ARG A 56 17.568 -15.150 5.600 1.00 32.12 C ATOM 831 CG ARG A 56 18.324 -15.363 4.296 1.00 64.34 C ATOM 832 CD ARG A 56 18.407 -16.833 3.918 1.00 54.23 C ATOM 833 NE ARG A 56 19.432 -17.547 4.685 1.00 74.22 N ATOM 834 CZ ARG A 56 19.823 -18.796 4.416 1.00 22.10 C ATOM 835 NH1 ARG A 56 19.178 -19.510 3.503 1.00 63.23 N ATOM 836 NH2 ARG A 56 20.827 -19.344 5.093 1.00 31.05 N ATOM 0 H ARG A 56 15.682 -13.169 6.898 1.00 53.50 H new ATOM 0 HA ARG A 56 18.525 -13.400 6.381 1.00 73.15 H new ATOM 0 HB2 ARG A 56 18.034 -15.748 6.383 1.00 32.12 H new ATOM 0 HB3 ARG A 56 16.548 -15.516 5.484 1.00 32.12 H new ATOM 0 HG2 ARG A 56 17.830 -14.811 3.497 1.00 64.34 H new ATOM 0 HG3 ARG A 56 19.331 -14.956 4.390 1.00 64.34 H new ATOM 0 HD2 ARG A 56 17.438 -17.304 4.084 1.00 54.23 H new ATOM 0 HD3 ARG A 56 18.626 -16.921 2.854 1.00 54.23 H new ATOM 0 HE ARG A 56 19.871 -17.063 5.468 1.00 74.22 H new ATOM 0 HH11 ARG A 56 18.384 -19.106 3.007 1.00 63.23 H new ATOM 0 HH12 ARG A 56 19.476 -20.464 3.297 1.00 63.23 H new ATOM 0 HH21 ARG A 56 21.302 -18.811 5.821 1.00 31.05 H new ATOM 0 HH22 ARG A 56 21.122 -20.298 4.884 1.00 31.05 H new ATOM 850 N GLY A 57 15.875 -12.913 4.468 1.00 62.01 N ATOM 851 CA GLY A 57 15.388 -12.120 3.367 1.00 43.42 C ATOM 852 C GLY A 57 13.880 -12.037 3.362 1.00 61.41 C ATOM 853 O GLY A 57 13.225 -12.637 4.220 1.00 62.13 O ATOM 0 H GLY A 57 15.190 -13.551 4.873 1.00 62.01 H new ATOM 0 HA2 GLY A 57 15.807 -11.116 3.428 1.00 43.42 H new ATOM 0 HA3 GLY A 57 15.732 -12.552 2.427 1.00 43.42 H new ATOM 857 N PRO A 58 13.302 -11.294 2.416 1.00 14.32 N ATOM 858 CA PRO A 58 11.861 -11.152 2.290 1.00 60.15 C ATOM 859 C PRO A 58 11.234 -12.249 1.426 1.00 21.04 C ATOM 860 O PRO A 58 11.606 -12.434 0.264 1.00 0.25 O ATOM 861 CB PRO A 58 11.723 -9.788 1.622 1.00 64.04 C ATOM 862 CG PRO A 58 12.950 -9.636 0.780 1.00 33.33 C ATOM 863 CD PRO A 58 14.019 -10.511 1.393 1.00 45.11 C ATOM 0 HA PRO A 58 11.347 -11.236 3.248 1.00 60.15 H new ATOM 0 HB2 PRO A 58 10.820 -9.737 1.014 1.00 64.04 H new ATOM 0 HB3 PRO A 58 11.653 -8.992 2.363 1.00 64.04 H new ATOM 0 HG2 PRO A 58 12.751 -9.935 -0.249 1.00 33.33 H new ATOM 0 HG3 PRO A 58 13.272 -8.595 0.753 1.00 33.33 H new ATOM 0 HD2 PRO A 58 14.480 -11.158 0.647 1.00 45.11 H new ATOM 0 HD3 PRO A 58 14.817 -9.914 1.835 1.00 45.11 H new ATOM 871 N GLN A 59 10.291 -12.984 2.001 1.00 1.01 N ATOM 872 CA GLN A 59 9.579 -14.021 1.267 1.00 32.42 C ATOM 873 C GLN A 59 8.218 -13.498 0.826 1.00 71.24 C ATOM 874 O GLN A 59 7.499 -12.891 1.615 1.00 42.53 O ATOM 875 CB GLN A 59 9.398 -15.265 2.139 1.00 23.33 C ATOM 876 CG GLN A 59 10.699 -15.808 2.709 1.00 61.11 C ATOM 877 CD GLN A 59 10.500 -17.061 3.540 1.00 12.13 C ATOM 878 OE1 GLN A 59 9.447 -17.262 4.142 1.00 13.03 O ATOM 879 NE2 GLN A 59 11.516 -17.909 3.586 1.00 40.40 N ATOM 0 H GLN A 59 10.002 -12.881 2.974 1.00 1.01 H new ATOM 0 HA GLN A 59 10.165 -14.292 0.389 1.00 32.42 H new ATOM 0 HB2 GLN A 59 8.723 -15.026 2.961 1.00 23.33 H new ATOM 0 HB3 GLN A 59 8.917 -16.045 1.548 1.00 23.33 H new ATOM 0 HG2 GLN A 59 11.386 -16.026 1.891 1.00 61.11 H new ATOM 0 HG3 GLN A 59 11.169 -15.041 3.324 1.00 61.11 H new ATOM 0 HE21 GLN A 59 12.373 -17.706 3.072 1.00 40.40 H new ATOM 0 HE22 GLN A 59 11.441 -18.765 4.135 1.00 40.40 H new ATOM 888 N ALA A 60 7.865 -13.735 -0.429 1.00 54.51 N ATOM 889 CA ALA A 60 6.601 -13.247 -0.965 1.00 31.22 C ATOM 890 C ALA A 60 5.441 -14.139 -0.544 1.00 15.53 C ATOM 891 O ALA A 60 5.537 -15.371 -0.606 1.00 62.12 O ATOM 892 CB ALA A 60 6.666 -13.146 -2.479 1.00 53.22 C ATOM 0 H ALA A 60 8.433 -14.260 -1.094 1.00 54.51 H new ATOM 0 HA ALA A 60 6.428 -12.252 -0.554 1.00 31.22 H new ATOM 0 HB1 ALA A 60 5.713 -12.780 -2.860 1.00 53.22 H new ATOM 0 HB2 ALA A 60 7.460 -12.456 -2.764 1.00 53.22 H new ATOM 0 HB3 ALA A 60 6.872 -14.130 -2.901 1.00 53.22 H new ATOM 898 N ALA A 61 4.350 -13.514 -0.122 1.00 22.12 N ATOM 899 CA ALA A 61 3.163 -14.234 0.304 1.00 32.42 C ATOM 900 C ALA A 61 1.912 -13.515 -0.170 1.00 54.13 C ATOM 901 O ALA A 61 1.858 -12.290 -0.133 1.00 4.32 O ATOM 902 CB ALA A 61 3.139 -14.364 1.816 1.00 33.14 C ATOM 0 H ALA A 61 4.265 -12.499 -0.066 1.00 22.12 H new ATOM 0 HA ALA A 61 3.188 -15.231 -0.137 1.00 32.42 H new ATOM 0 HB1 ALA A 61 2.244 -14.906 2.120 1.00 33.14 H new ATOM 0 HB2 ALA A 61 4.023 -14.908 2.148 1.00 33.14 H new ATOM 0 HB3 ALA A 61 3.133 -13.371 2.266 1.00 33.14 H new ATOM 908 N ASN A 62 0.919 -14.282 -0.619 1.00 64.14 N ATOM 909 CA ASN A 62 -0.365 -13.725 -1.048 1.00 1.32 C ATOM 910 C ASN A 62 -0.196 -12.651 -2.132 1.00 74.01 C ATOM 911 O ASN A 62 0.109 -11.481 -1.852 1.00 23.54 O ATOM 912 CB ASN A 62 -1.138 -13.194 0.171 1.00 0.42 C ATOM 913 CG ASN A 62 -2.235 -12.213 -0.184 1.00 53.02 C ATOM 914 OD1 ASN A 62 -3.337 -12.601 -0.574 1.00 1.45 O ATOM 915 ND2 ASN A 62 -1.952 -10.933 -0.002 1.00 43.42 N ATOM 0 H ASN A 62 0.980 -15.297 -0.696 1.00 64.14 H new ATOM 0 HA ASN A 62 -0.948 -14.525 -1.505 1.00 1.32 H new ATOM 0 HB2 ASN A 62 -1.575 -14.036 0.708 1.00 0.42 H new ATOM 0 HB3 ASN A 62 -0.437 -12.711 0.852 1.00 0.42 H new ATOM 0 HD21 ASN A 62 -2.661 -10.223 -0.186 1.00 43.42 H new ATOM 0 HD22 ASN A 62 -1.025 -10.657 0.323 1.00 43.42 H new ATOM 922 N VAL A 63 -0.370 -13.071 -3.380 1.00 4.10 N ATOM 923 CA VAL A 63 -0.268 -12.169 -4.516 1.00 63.34 C ATOM 924 C VAL A 63 -1.642 -11.879 -5.109 1.00 44.04 C ATOM 925 O VAL A 63 -2.342 -12.782 -5.566 1.00 41.31 O ATOM 926 CB VAL A 63 0.645 -12.742 -5.622 1.00 30.43 C ATOM 927 CG1 VAL A 63 0.716 -11.794 -6.811 1.00 73.53 C ATOM 928 CG2 VAL A 63 2.038 -13.023 -5.082 1.00 22.54 C ATOM 0 H VAL A 63 -0.584 -14.037 -3.629 1.00 4.10 H new ATOM 0 HA VAL A 63 0.171 -11.244 -4.142 1.00 63.34 H new ATOM 0 HB VAL A 63 0.212 -13.684 -5.960 1.00 30.43 H new ATOM 0 HG11 VAL A 63 1.365 -12.219 -7.577 1.00 73.53 H new ATOM 0 HG12 VAL A 63 -0.283 -11.649 -7.221 1.00 73.53 H new ATOM 0 HG13 VAL A 63 1.118 -10.834 -6.487 1.00 73.53 H new ATOM 0 HG21 VAL A 63 2.663 -13.426 -5.879 1.00 22.54 H new ATOM 0 HG22 VAL A 63 2.477 -12.098 -4.709 1.00 22.54 H new ATOM 0 HG23 VAL A 63 1.974 -13.747 -4.270 1.00 22.54 H new ATOM 938 N GLN A 64 -2.015 -10.613 -5.099 1.00 14.23 N ATOM 939 CA GLN A 64 -3.248 -10.165 -5.718 1.00 1.34 C ATOM 940 C GLN A 64 -2.936 -9.563 -7.087 1.00 51.12 C ATOM 941 O GLN A 64 -1.963 -8.818 -7.242 1.00 23.00 O ATOM 942 CB GLN A 64 -3.951 -9.136 -4.824 1.00 31.43 C ATOM 943 CG GLN A 64 -5.269 -8.636 -5.389 1.00 22.14 C ATOM 944 CD GLN A 64 -5.924 -7.579 -4.519 1.00 62.01 C ATOM 945 OE1 GLN A 64 -5.717 -7.663 -3.214 1.00 71.20 O flip ATOM 946 NE2 GLN A 64 -6.616 -6.694 -5.022 1.00 34.33 N flip ATOM 0 H GLN A 64 -1.473 -9.868 -4.662 1.00 14.23 H new ATOM 0 HA GLN A 64 -3.918 -11.015 -5.846 1.00 1.34 H new ATOM 0 HB2 GLN A 64 -4.131 -9.581 -3.845 1.00 31.43 H new ATOM 0 HB3 GLN A 64 -3.286 -8.286 -4.671 1.00 31.43 H new ATOM 0 HG2 GLN A 64 -5.099 -8.225 -6.384 1.00 22.14 H new ATOM 0 HG3 GLN A 64 -5.951 -9.478 -5.504 1.00 22.14 H new ATOM 0 HE21 GLN A 64 -6.751 -6.664 -6.033 1.00 34.33 H new ATOM 0 HE22 GLN A 64 -7.055 -5.990 -4.428 1.00 34.33 H new ATOM 955 N LYS A 65 -3.745 -9.900 -8.077 1.00 42.01 N ATOM 956 CA LYS A 65 -3.518 -9.434 -9.433 1.00 3.44 C ATOM 957 C LYS A 65 -3.645 -7.916 -9.500 1.00 74.41 C ATOM 958 O LYS A 65 -4.662 -7.349 -9.091 1.00 45.42 O ATOM 959 CB LYS A 65 -4.515 -10.086 -10.389 1.00 53.21 C ATOM 960 CG LYS A 65 -4.166 -9.901 -11.857 1.00 11.54 C ATOM 961 CD LYS A 65 -2.841 -10.562 -12.195 1.00 61.31 C ATOM 962 CE LYS A 65 -2.475 -10.366 -13.657 1.00 73.13 C ATOM 963 NZ LYS A 65 -3.500 -10.928 -14.574 1.00 12.32 N ATOM 0 H LYS A 65 -4.566 -10.495 -7.966 1.00 42.01 H new ATOM 0 HA LYS A 65 -2.508 -9.714 -9.732 1.00 3.44 H new ATOM 0 HB2 LYS A 65 -4.571 -11.152 -10.170 1.00 53.21 H new ATOM 0 HB3 LYS A 65 -5.506 -9.670 -10.205 1.00 53.21 H new ATOM 0 HG2 LYS A 65 -4.956 -10.325 -12.477 1.00 11.54 H new ATOM 0 HG3 LYS A 65 -4.114 -8.837 -12.090 1.00 11.54 H new ATOM 0 HD2 LYS A 65 -2.055 -10.147 -11.564 1.00 61.31 H new ATOM 0 HD3 LYS A 65 -2.898 -11.628 -11.973 1.00 61.31 H new ATOM 0 HE2 LYS A 65 -2.354 -9.302 -13.860 1.00 73.13 H new ATOM 0 HE3 LYS A 65 -1.514 -10.840 -13.856 1.00 73.13 H new ATOM 0 HZ1 LYS A 65 -3.115 -10.972 -15.539 1.00 12.32 H new ATOM 0 HZ2 LYS A 65 -3.759 -11.885 -14.260 1.00 12.32 H new ATOM 0 HZ3 LYS A 65 -4.344 -10.321 -14.565 1.00 12.32 H new ATOM 977 N ALA A 66 -2.606 -7.264 -9.999 1.00 3.45 N ATOM 978 CA ALA A 66 -2.608 -5.822 -10.130 1.00 52.05 C ATOM 979 C ALA A 66 -3.171 -5.436 -11.485 1.00 31.14 C ATOM 980 O ALA A 66 -2.388 -5.327 -12.443 1.00 51.50 O ATOM 981 CB ALA A 66 -1.204 -5.259 -9.952 1.00 22.24 C ATOM 982 OXT ALA A 66 -4.404 -5.284 -11.597 1.00 0.00 O ATOM 0 H ALA A 66 -1.750 -7.716 -10.320 1.00 3.45 H new ATOM 0 HA ALA A 66 -3.238 -5.398 -9.348 1.00 52.05 H new ATOM 0 HB1 ALA A 66 -1.231 -4.174 -10.055 1.00 22.24 H new ATOM 0 HB2 ALA A 66 -0.830 -5.520 -8.962 1.00 22.24 H new ATOM 0 HB3 ALA A 66 -0.545 -5.679 -10.712 1.00 22.24 H new