USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1093 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 64 TYR OH : rot -155:sc= 1.06 USER MOD Set 1.2: A 81 ASN : amide:sc= 0.378 X(o=0.097,f=-0.3) USER MOD Set 1.3: A 84 HIS : no HE2:sc= -0.98 K(o=0.097,f=-4.5!) USER MOD Set 1.4: A 99 HIS : no HE2:sc= -0.131 K(o=0.097,f=-1.1) USER MOD Set 1.5: A 115 TYR OH : rot 163:sc= -0.226 USER MOD Set 2.1: A 38 THR OG1 : rot 28:sc= 0.103 USER MOD Set 2.2: A 42 SER OG : rot 85:sc= 0.786 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.146 (180deg=-0.579) USER MOD Single : A 1 MET N :NH3+ -140:sc= 1.18 (180deg=0.0927) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00871 X(o=-0.0087,f=-0.031!) USER MOD Single : A 22 TYR OH : rot 110:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0682 K(o=-0.068,f=-3.2!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 90:sc= 0.489 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0893 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -85:sc= 0.746 USER MOD Single : A 67 LYS NZ :NH3+ 173:sc=-0.00046 (180deg=-0.0702) USER MOD Single : A 70 HIS : no HD1:sc= -0.888 K(o=-0.89,f=-1.8) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 72 ASN : amide:sc= -0.0426 K(o=-0.043,f=-3.6!) USER MOD Single : A 74 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.57) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 70:sc= 0.755 USER MOD Single : A 103 TYR OH : rot -66:sc= 1.59 USER MOD Single : A 104 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=-0.021) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=0) USER MOD Single : A 108 TYR OH : rot 151:sc= 0.0906 USER MOD Single : A 113 ASN : amide:sc= -1.94! C(o=-1.9!,f=-4.2!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 44:sc= 1.19 USER MOD Single : A 121 TYR OH : rot 120:sc= -0.0484 USER MOD Single : A 122 THR OG1 : rot 74:sc= 0.382 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0.0204 X(o=0.02,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HE2:sc= -0.0621 K(o=-0.062,f=-0.56) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.52) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.511 -8.835 -9.701 1.00 65.23 N ATOM 2 CA MET A 1 13.408 -9.829 -9.802 1.00 65.14 C ATOM 3 C MET A 1 12.208 -9.422 -8.906 1.00 13.52 C ATOM 4 O MET A 1 12.312 -9.487 -7.673 1.00 63.12 O ATOM 5 CB MET A 1 13.922 -11.248 -9.418 1.00 33.12 C ATOM 6 CG MET A 1 15.018 -11.798 -10.342 1.00 71.54 C ATOM 7 SD MET A 1 15.599 -13.436 -9.847 1.00 71.13 S ATOM 8 CE MET A 1 14.091 -14.407 -9.914 1.00 51.34 C ATOM 0 H1 MET A 1 14.928 -8.683 -10.641 1.00 65.23 H new ATOM 0 H2 MET A 1 14.135 -7.935 -9.339 1.00 65.23 H new ATOM 0 H3 MET A 1 15.241 -9.192 -9.052 1.00 65.23 H new ATOM 0 HA MET A 1 13.063 -9.851 -10.836 1.00 65.14 H new ATOM 0 HB2 MET A 1 14.305 -11.218 -8.398 1.00 33.12 H new ATOM 0 HB3 MET A 1 13.080 -11.940 -9.422 1.00 33.12 H new ATOM 0 HG2 MET A 1 14.636 -11.846 -11.362 1.00 71.54 H new ATOM 0 HG3 MET A 1 15.860 -11.106 -10.350 1.00 71.54 H new ATOM 0 HE1 MET A 1 14.342 -15.467 -9.950 1.00 51.34 H new ATOM 0 HE2 MET A 1 13.489 -14.206 -9.028 1.00 51.34 H new ATOM 0 HE3 MET A 1 13.524 -14.138 -10.806 1.00 51.34 H new ATOM 20 N PRO A 2 11.053 -8.964 -9.508 1.00 13.32 N ATOM 21 CA PRO A 2 9.809 -8.668 -8.741 1.00 75.31 C ATOM 22 C PRO A 2 9.096 -9.963 -8.264 1.00 21.30 C ATOM 23 O PRO A 2 9.200 -11.013 -8.914 1.00 4.04 O ATOM 24 CB PRO A 2 8.949 -7.879 -9.766 1.00 2.41 C ATOM 25 CG PRO A 2 9.384 -8.404 -11.101 1.00 11.15 C ATOM 26 CD PRO A 2 10.869 -8.683 -10.963 1.00 23.12 C ATOM 0 HA PRO A 2 9.998 -8.113 -7.822 1.00 75.31 H new ATOM 0 HB2 PRO A 2 7.884 -8.044 -9.602 1.00 2.41 H new ATOM 0 HB3 PRO A 2 9.121 -6.806 -9.686 1.00 2.41 H new ATOM 0 HG2 PRO A 2 8.837 -9.310 -11.364 1.00 11.15 H new ATOM 0 HG3 PRO A 2 9.193 -7.676 -11.890 1.00 11.15 H new ATOM 0 HD2 PRO A 2 11.174 -9.532 -11.575 1.00 23.12 H new ATOM 0 HD3 PRO A 2 11.466 -7.829 -11.283 1.00 23.12 H new ATOM 34 N LEU A 3 8.396 -9.898 -7.117 1.00 14.05 N ATOM 35 CA LEU A 3 7.670 -11.067 -6.559 1.00 21.33 C ATOM 36 C LEU A 3 6.172 -10.981 -6.944 1.00 4.52 C ATOM 37 O LEU A 3 5.483 -10.037 -6.558 1.00 11.24 O ATOM 38 CB LEU A 3 7.852 -11.144 -5.001 1.00 13.12 C ATOM 39 CG LEU A 3 8.030 -12.579 -4.383 1.00 25.21 C ATOM 40 CD1 LEU A 3 8.024 -12.535 -2.841 1.00 71.52 C ATOM 41 CD2 LEU A 3 6.983 -13.590 -4.916 1.00 42.41 C ATOM 0 H LEU A 3 8.314 -9.051 -6.554 1.00 14.05 H new ATOM 0 HA LEU A 3 8.087 -11.981 -6.982 1.00 21.33 H new ATOM 0 HB2 LEU A 3 8.722 -10.546 -4.730 1.00 13.12 H new ATOM 0 HB3 LEU A 3 6.985 -10.677 -4.533 1.00 13.12 H new ATOM 0 HG LEU A 3 9.008 -12.935 -4.707 1.00 25.21 H new ATOM 0 HD11 LEU A 3 8.149 -13.544 -2.448 1.00 71.52 H new ATOM 0 HD12 LEU A 3 8.842 -11.905 -2.492 1.00 71.52 H new ATOM 0 HD13 LEU A 3 7.076 -12.125 -2.492 1.00 71.52 H new ATOM 0 HD21 LEU A 3 7.151 -14.564 -4.457 1.00 42.41 H new ATOM 0 HD22 LEU A 3 5.981 -13.241 -4.668 1.00 42.41 H new ATOM 0 HD23 LEU A 3 7.079 -13.677 -5.998 1.00 42.41 H new ATOM 53 N GLU A 4 5.684 -11.985 -7.686 1.00 75.03 N ATOM 54 CA GLU A 4 4.271 -12.057 -8.133 1.00 33.21 C ATOM 55 C GLU A 4 3.557 -13.261 -7.489 1.00 62.25 C ATOM 56 O GLU A 4 4.126 -14.359 -7.414 1.00 11.01 O ATOM 57 CB GLU A 4 4.195 -12.171 -9.685 1.00 40.50 C ATOM 58 CG GLU A 4 2.765 -12.341 -10.248 1.00 34.43 C ATOM 59 CD GLU A 4 2.707 -12.404 -11.784 1.00 51.10 C ATOM 60 OE1 GLU A 4 3.077 -13.452 -12.351 1.00 33.13 O ATOM 61 OE2 GLU A 4 2.275 -11.420 -12.429 1.00 63.21 O ATOM 0 H GLU A 4 6.251 -12.774 -7.997 1.00 75.03 H new ATOM 0 HA GLU A 4 3.771 -11.141 -7.818 1.00 33.21 H new ATOM 0 HB2 GLU A 4 4.641 -11.278 -10.124 1.00 40.50 H new ATOM 0 HB3 GLU A 4 4.800 -13.019 -10.004 1.00 40.50 H new ATOM 0 HG2 GLU A 4 2.330 -13.253 -9.839 1.00 34.43 H new ATOM 0 HG3 GLU A 4 2.148 -11.511 -9.904 1.00 34.43 H new ATOM 68 N TRP A 5 2.307 -13.049 -7.039 1.00 12.33 N ATOM 69 CA TRP A 5 1.432 -14.147 -6.599 1.00 35.40 C ATOM 70 C TRP A 5 0.457 -14.555 -7.729 1.00 51.42 C ATOM 71 O TRP A 5 -0.142 -13.708 -8.403 1.00 43.14 O ATOM 72 CB TRP A 5 0.632 -13.783 -5.319 1.00 31.41 C ATOM 73 CG TRP A 5 -0.176 -14.954 -4.813 1.00 20.55 C ATOM 74 CD1 TRP A 5 0.317 -16.073 -4.214 1.00 64.51 C ATOM 75 CD2 TRP A 5 -1.593 -15.153 -4.915 1.00 21.00 C ATOM 76 NE1 TRP A 5 -0.692 -16.950 -3.954 1.00 11.31 N ATOM 77 CE2 TRP A 5 -1.870 -16.413 -4.363 1.00 53.44 C ATOM 78 CE3 TRP A 5 -2.649 -14.391 -5.416 1.00 12.45 C ATOM 79 CZ2 TRP A 5 -3.151 -16.933 -4.296 1.00 41.42 C ATOM 80 CZ3 TRP A 5 -3.925 -14.912 -5.350 1.00 63.24 C ATOM 81 CH2 TRP A 5 -4.165 -16.172 -4.799 1.00 74.35 C ATOM 0 H TRP A 5 1.881 -12.125 -6.971 1.00 12.33 H new ATOM 0 HA TRP A 5 2.079 -14.990 -6.358 1.00 35.40 H new ATOM 0 HB2 TRP A 5 1.321 -13.453 -4.541 1.00 31.41 H new ATOM 0 HB3 TRP A 5 -0.034 -12.946 -5.532 1.00 31.41 H new ATOM 0 HD1 TRP A 5 1.358 -16.241 -3.979 1.00 64.51 H new ATOM 0 HE1 TRP A 5 -0.580 -17.866 -3.520 1.00 11.31 H new ATOM 0 HE3 TRP A 5 -2.472 -13.416 -5.845 1.00 12.45 H new ATOM 0 HZ2 TRP A 5 -3.340 -17.904 -3.862 1.00 41.42 H new ATOM 0 HZ3 TRP A 5 -4.754 -14.334 -5.732 1.00 63.24 H new ATOM 0 HH2 TRP A 5 -5.175 -16.552 -4.770 1.00 74.35 H new ATOM 92 N ARG A 6 0.333 -15.872 -7.926 1.00 64.00 N ATOM 93 CA ARG A 6 -0.623 -16.491 -8.868 1.00 52.44 C ATOM 94 C ARG A 6 -1.336 -17.703 -8.217 1.00 20.24 C ATOM 95 O ARG A 6 -0.945 -18.170 -7.140 1.00 70.22 O ATOM 96 CB ARG A 6 0.061 -16.903 -10.217 1.00 62.00 C ATOM 97 CG ARG A 6 1.488 -17.500 -10.107 1.00 21.21 C ATOM 98 CD ARG A 6 2.589 -16.417 -10.118 1.00 25.21 C ATOM 99 NE ARG A 6 3.936 -16.996 -10.070 1.00 1.51 N ATOM 100 CZ ARG A 6 5.035 -16.426 -10.511 1.00 54.14 C ATOM 101 NH1 ARG A 6 5.020 -15.256 -11.078 1.00 61.25 N ATOM 102 NH2 ARG A 6 6.154 -17.048 -10.396 1.00 31.33 N ATOM 0 H ARG A 6 0.903 -16.556 -7.428 1.00 64.00 H new ATOM 0 HA ARG A 6 -1.373 -15.737 -9.105 1.00 52.44 H new ATOM 0 HB2 ARG A 6 -0.578 -17.632 -10.716 1.00 62.00 H new ATOM 0 HB3 ARG A 6 0.106 -16.024 -10.861 1.00 62.00 H new ATOM 0 HG2 ARG A 6 1.565 -18.081 -9.188 1.00 21.21 H new ATOM 0 HG3 ARG A 6 1.654 -18.190 -10.935 1.00 21.21 H new ATOM 0 HD2 ARG A 6 2.489 -15.808 -11.017 1.00 25.21 H new ATOM 0 HD3 ARG A 6 2.451 -15.752 -9.266 1.00 25.21 H new ATOM 0 HE ARG A 6 4.028 -17.924 -9.657 1.00 1.51 H new ATOM 0 HH11 ARG A 6 4.139 -14.755 -11.190 1.00 61.25 H new ATOM 0 HH12 ARG A 6 5.890 -14.839 -11.410 1.00 61.25 H new ATOM 0 HH21 ARG A 6 6.182 -17.973 -9.967 1.00 31.33 H new ATOM 0 HH22 ARG A 6 7.014 -16.617 -10.734 1.00 31.33 H new ATOM 116 N ALA A 7 -2.375 -18.200 -8.913 1.00 24.52 N ATOM 117 CA ALA A 7 -3.199 -19.344 -8.466 1.00 21.25 C ATOM 118 C ALA A 7 -2.359 -20.646 -8.372 1.00 1.43 C ATOM 119 O ALA A 7 -1.483 -20.894 -9.211 1.00 32.20 O ATOM 120 CB ALA A 7 -4.389 -19.527 -9.425 1.00 3.23 C ATOM 0 H ALA A 7 -2.671 -17.817 -9.811 1.00 24.52 H new ATOM 0 HA ALA A 7 -3.575 -19.131 -7.465 1.00 21.25 H new ATOM 0 HB1 ALA A 7 -4.996 -20.370 -9.095 1.00 3.23 H new ATOM 0 HB2 ALA A 7 -4.996 -18.622 -9.428 1.00 3.23 H new ATOM 0 HB3 ALA A 7 -4.019 -19.719 -10.432 1.00 3.23 H new ATOM 126 N GLY A 8 -2.623 -21.451 -7.328 1.00 33.35 N ATOM 127 CA GLY A 8 -1.898 -22.712 -7.100 1.00 30.24 C ATOM 128 C GLY A 8 -0.597 -22.566 -6.293 1.00 75.32 C ATOM 129 O GLY A 8 0.044 -23.577 -5.982 1.00 21.43 O ATOM 0 H GLY A 8 -3.336 -21.249 -6.627 1.00 33.35 H new ATOM 0 HA2 GLY A 8 -2.558 -23.406 -6.579 1.00 30.24 H new ATOM 0 HA3 GLY A 8 -1.663 -23.160 -8.065 1.00 30.24 H new ATOM 133 N ALA A 9 -0.199 -21.312 -5.954 1.00 71.13 N ATOM 134 CA ALA A 9 1.012 -21.033 -5.136 1.00 30.31 C ATOM 135 C ALA A 9 0.921 -21.661 -3.717 1.00 74.20 C ATOM 136 O ALA A 9 -0.163 -21.751 -3.140 1.00 43.25 O ATOM 137 CB ALA A 9 1.254 -19.514 -5.041 1.00 41.31 C ATOM 0 H ALA A 9 -0.704 -20.472 -6.237 1.00 71.13 H new ATOM 0 HA ALA A 9 1.859 -21.500 -5.639 1.00 30.31 H new ATOM 0 HB1 ALA A 9 2.143 -19.324 -4.440 1.00 41.31 H new ATOM 0 HB2 ALA A 9 1.398 -19.105 -6.041 1.00 41.31 H new ATOM 0 HB3 ALA A 9 0.392 -19.037 -4.575 1.00 41.31 H new ATOM 143 N SER A 10 2.084 -22.048 -3.154 1.00 3.53 N ATOM 144 CA SER A 10 2.159 -22.815 -1.876 1.00 51.03 C ATOM 145 C SER A 10 2.045 -21.877 -0.651 1.00 41.52 C ATOM 146 O SER A 10 2.523 -20.753 -0.702 1.00 32.22 O ATOM 147 CB SER A 10 3.494 -23.597 -1.809 1.00 33.11 C ATOM 148 OG SER A 10 3.644 -24.479 -2.911 1.00 62.31 O ATOM 0 H SER A 10 2.996 -21.844 -3.562 1.00 3.53 H new ATOM 0 HA SER A 10 1.322 -23.513 -1.852 1.00 51.03 H new ATOM 0 HB2 SER A 10 4.327 -22.894 -1.790 1.00 33.11 H new ATOM 0 HB3 SER A 10 3.536 -24.166 -0.880 1.00 33.11 H new ATOM 0 HG SER A 10 4.498 -24.954 -2.836 1.00 62.31 H new ATOM 154 N SER A 11 1.450 -22.379 0.458 1.00 75.34 N ATOM 155 CA SER A 11 1.100 -21.565 1.667 1.00 42.44 C ATOM 156 C SER A 11 2.311 -20.810 2.282 1.00 62.12 C ATOM 157 O SER A 11 2.188 -19.637 2.649 1.00 23.23 O ATOM 158 CB SER A 11 0.443 -22.461 2.748 1.00 21.13 C ATOM 159 OG SER A 11 1.327 -23.482 3.186 1.00 71.25 O ATOM 0 H SER A 11 1.195 -23.362 0.548 1.00 75.34 H new ATOM 0 HA SER A 11 0.396 -20.806 1.325 1.00 42.44 H new ATOM 0 HB2 SER A 11 0.144 -21.848 3.598 1.00 21.13 H new ATOM 0 HB3 SER A 11 -0.464 -22.912 2.346 1.00 21.13 H new ATOM 0 HG SER A 11 0.884 -24.028 3.868 1.00 71.25 H new ATOM 165 N ASP A 12 3.470 -21.497 2.386 1.00 61.40 N ATOM 166 CA ASP A 12 4.737 -20.891 2.881 1.00 24.24 C ATOM 167 C ASP A 12 5.212 -19.739 1.960 1.00 13.35 C ATOM 168 O ASP A 12 5.706 -18.707 2.431 1.00 53.14 O ATOM 169 CB ASP A 12 5.847 -21.967 2.989 1.00 44.24 C ATOM 170 CG ASP A 12 5.499 -23.080 3.988 1.00 44.51 C ATOM 171 OD1 ASP A 12 5.596 -22.846 5.209 1.00 62.20 O ATOM 172 OD2 ASP A 12 5.111 -24.189 3.561 1.00 73.42 O ATOM 0 H ASP A 12 3.559 -22.481 2.132 1.00 61.40 H new ATOM 0 HA ASP A 12 4.539 -20.478 3.870 1.00 24.24 H new ATOM 0 HB2 ASP A 12 6.018 -22.407 2.006 1.00 44.24 H new ATOM 0 HB3 ASP A 12 6.780 -21.491 3.292 1.00 44.24 H new ATOM 177 N GLU A 13 5.031 -19.936 0.643 1.00 21.21 N ATOM 178 CA GLU A 13 5.403 -18.945 -0.384 1.00 34.11 C ATOM 179 C GLU A 13 4.462 -17.724 -0.353 1.00 21.25 C ATOM 180 O GLU A 13 4.925 -16.591 -0.456 1.00 2.35 O ATOM 181 CB GLU A 13 5.416 -19.599 -1.793 1.00 30.21 C ATOM 182 CG GLU A 13 6.382 -20.794 -1.924 1.00 43.42 C ATOM 183 CD GLU A 13 7.845 -20.419 -1.618 1.00 13.01 C ATOM 184 OE1 GLU A 13 8.500 -19.800 -2.484 1.00 55.12 O ATOM 185 OE2 GLU A 13 8.346 -20.731 -0.512 1.00 64.33 O ATOM 0 H GLU A 13 4.622 -20.788 0.259 1.00 21.21 H new ATOM 0 HA GLU A 13 6.409 -18.590 -0.160 1.00 34.11 H new ATOM 0 HB2 GLU A 13 4.407 -19.933 -2.036 1.00 30.21 H new ATOM 0 HB3 GLU A 13 5.688 -18.843 -2.530 1.00 30.21 H new ATOM 0 HG2 GLU A 13 6.066 -21.586 -1.245 1.00 43.42 H new ATOM 0 HG3 GLU A 13 6.319 -21.196 -2.935 1.00 43.42 H new ATOM 192 N ILE A 14 3.139 -17.958 -0.180 1.00 13.13 N ATOM 193 CA ILE A 14 2.150 -16.859 -0.071 1.00 12.21 C ATOM 194 C ILE A 14 2.401 -16.044 1.219 1.00 62.23 C ATOM 195 O ILE A 14 2.229 -14.839 1.221 1.00 74.22 O ATOM 196 CB ILE A 14 0.641 -17.337 -0.083 1.00 33.23 C ATOM 197 CG1 ILE A 14 0.377 -18.411 -1.187 1.00 43.21 C ATOM 198 CG2 ILE A 14 -0.312 -16.118 -0.271 1.00 55.24 C ATOM 199 CD1 ILE A 14 -1.073 -18.890 -1.289 1.00 21.10 C ATOM 0 H ILE A 14 2.734 -18.892 -0.113 1.00 13.13 H new ATOM 0 HA ILE A 14 2.297 -16.248 -0.962 1.00 12.21 H new ATOM 0 HB ILE A 14 0.438 -17.804 0.881 1.00 33.23 H new ATOM 0 HG12 ILE A 14 0.677 -18.001 -2.151 1.00 43.21 H new ATOM 0 HG13 ILE A 14 1.016 -19.273 -0.995 1.00 43.21 H new ATOM 0 HG21 ILE A 14 -1.346 -16.462 -0.277 1.00 55.24 H new ATOM 0 HG22 ILE A 14 -0.169 -15.414 0.549 1.00 55.24 H new ATOM 0 HG23 ILE A 14 -0.088 -15.624 -1.216 1.00 55.24 H new ATOM 0 HD11 ILE A 14 -1.156 -19.633 -2.082 1.00 21.10 H new ATOM 0 HD12 ILE A 14 -1.377 -19.335 -0.342 1.00 21.10 H new ATOM 0 HD13 ILE A 14 -1.721 -18.043 -1.516 1.00 21.10 H new ATOM 211 N ASN A 15 2.818 -16.727 2.306 1.00 74.15 N ATOM 212 CA ASN A 15 3.170 -16.070 3.594 1.00 63.42 C ATOM 213 C ASN A 15 4.429 -15.171 3.431 1.00 0.52 C ATOM 214 O ASN A 15 4.526 -14.098 4.038 1.00 13.23 O ATOM 215 CB ASN A 15 3.384 -17.144 4.700 1.00 12.34 C ATOM 216 CG ASN A 15 3.372 -16.592 6.139 1.00 42.34 C ATOM 217 OD1 ASN A 15 3.730 -15.450 6.407 1.00 22.14 O ATOM 218 ND2 ASN A 15 2.965 -17.413 7.084 1.00 5.45 N ATOM 0 H ASN A 15 2.921 -17.742 2.322 1.00 74.15 H new ATOM 0 HA ASN A 15 2.344 -15.426 3.896 1.00 63.42 H new ATOM 0 HB2 ASN A 15 2.605 -17.901 4.609 1.00 12.34 H new ATOM 0 HB3 ASN A 15 4.337 -17.643 4.524 1.00 12.34 H new ATOM 0 HD21 ASN A 15 2.944 -17.102 8.055 1.00 5.45 H new ATOM 0 HD22 ASN A 15 2.670 -18.360 6.845 1.00 5.45 H new ATOM 225 N ALA A 16 5.380 -15.621 2.591 1.00 35.22 N ATOM 226 CA ALA A 16 6.564 -14.814 2.199 1.00 35.13 C ATOM 227 C ALA A 16 6.165 -13.593 1.318 1.00 33.54 C ATOM 228 O ALA A 16 6.826 -12.553 1.347 1.00 72.11 O ATOM 229 CB ALA A 16 7.587 -15.699 1.466 1.00 12.34 C ATOM 0 H ALA A 16 5.355 -16.547 2.164 1.00 35.22 H new ATOM 0 HA ALA A 16 7.018 -14.423 3.109 1.00 35.13 H new ATOM 0 HB1 ALA A 16 8.451 -15.098 1.183 1.00 12.34 H new ATOM 0 HB2 ALA A 16 7.907 -16.507 2.124 1.00 12.34 H new ATOM 0 HB3 ALA A 16 7.129 -16.120 0.571 1.00 12.34 H new ATOM 235 N ILE A 17 5.082 -13.755 0.528 1.00 1.33 N ATOM 236 CA ILE A 17 4.469 -12.668 -0.286 1.00 24.43 C ATOM 237 C ILE A 17 3.669 -11.678 0.608 1.00 43.23 C ATOM 238 O ILE A 17 3.644 -10.472 0.345 1.00 74.11 O ATOM 239 CB ILE A 17 3.549 -13.289 -1.411 1.00 60.00 C ATOM 240 CG1 ILE A 17 4.415 -14.158 -2.376 1.00 52.22 C ATOM 241 CG2 ILE A 17 2.741 -12.218 -2.194 1.00 60.44 C ATOM 242 CD1 ILE A 17 3.642 -14.957 -3.409 1.00 44.24 C ATOM 0 H ILE A 17 4.600 -14.649 0.432 1.00 1.33 H new ATOM 0 HA ILE A 17 5.268 -12.101 -0.763 1.00 24.43 H new ATOM 0 HB ILE A 17 2.809 -13.920 -0.918 1.00 60.00 H new ATOM 0 HG12 ILE A 17 5.114 -13.504 -2.897 1.00 52.22 H new ATOM 0 HG13 ILE A 17 5.010 -14.849 -1.779 1.00 52.22 H new ATOM 0 HG21 ILE A 17 2.129 -12.706 -2.952 1.00 60.44 H new ATOM 0 HG22 ILE A 17 2.097 -11.672 -1.504 1.00 60.44 H new ATOM 0 HG23 ILE A 17 3.429 -11.523 -2.676 1.00 60.44 H new ATOM 0 HD11 ILE A 17 4.339 -15.524 -4.026 1.00 44.24 H new ATOM 0 HD12 ILE A 17 2.963 -15.644 -2.904 1.00 44.24 H new ATOM 0 HD13 ILE A 17 3.068 -14.278 -4.040 1.00 44.24 H new ATOM 254 N ILE A 18 3.049 -12.205 1.680 1.00 75.32 N ATOM 255 CA ILE A 18 2.373 -11.393 2.721 1.00 32.42 C ATOM 256 C ILE A 18 3.413 -10.506 3.438 1.00 45.12 C ATOM 257 O ILE A 18 3.185 -9.323 3.653 1.00 74.22 O ATOM 258 CB ILE A 18 1.619 -12.323 3.756 1.00 42.31 C ATOM 259 CG1 ILE A 18 0.446 -13.089 3.059 1.00 20.12 C ATOM 260 CG2 ILE A 18 1.106 -11.538 4.998 1.00 13.12 C ATOM 261 CD1 ILE A 18 -0.128 -14.248 3.861 1.00 34.01 C ATOM 0 H ILE A 18 3.000 -13.209 1.853 1.00 75.32 H new ATOM 0 HA ILE A 18 1.628 -10.754 2.246 1.00 32.42 H new ATOM 0 HB ILE A 18 2.346 -13.049 4.119 1.00 42.31 H new ATOM 0 HG12 ILE A 18 -0.355 -12.381 2.846 1.00 20.12 H new ATOM 0 HG13 ILE A 18 0.798 -13.469 2.100 1.00 20.12 H new ATOM 0 HG21 ILE A 18 0.596 -12.223 5.676 1.00 13.12 H new ATOM 0 HG22 ILE A 18 1.950 -11.079 5.512 1.00 13.12 H new ATOM 0 HG23 ILE A 18 0.411 -10.762 4.676 1.00 13.12 H new ATOM 0 HD11 ILE A 18 -0.935 -14.717 3.297 1.00 34.01 H new ATOM 0 HD12 ILE A 18 0.655 -14.982 4.052 1.00 34.01 H new ATOM 0 HD13 ILE A 18 -0.516 -13.877 4.809 1.00 34.01 H new ATOM 273 N ARG A 19 4.569 -11.110 3.771 1.00 72.24 N ATOM 274 CA ARG A 19 5.737 -10.397 4.332 1.00 61.32 C ATOM 275 C ARG A 19 6.398 -9.448 3.292 1.00 4.22 C ATOM 276 O ARG A 19 6.949 -8.414 3.668 1.00 11.15 O ATOM 277 CB ARG A 19 6.773 -11.416 4.898 1.00 24.43 C ATOM 278 CG ARG A 19 8.181 -10.830 5.175 1.00 12.42 C ATOM 279 CD ARG A 19 9.112 -11.755 5.974 1.00 14.54 C ATOM 280 NE ARG A 19 10.500 -11.240 5.968 1.00 54.10 N ATOM 281 CZ ARG A 19 11.031 -10.417 6.848 1.00 20.04 C ATOM 282 NH1 ARG A 19 10.372 -10.013 7.879 1.00 21.41 N ATOM 283 NH2 ARG A 19 12.244 -10.010 6.685 1.00 44.15 N ATOM 0 H ARG A 19 4.722 -12.112 3.659 1.00 72.24 H new ATOM 0 HA ARG A 19 5.380 -9.770 5.149 1.00 61.32 H new ATOM 0 HB2 ARG A 19 6.381 -11.834 5.825 1.00 24.43 H new ATOM 0 HB3 ARG A 19 6.871 -12.241 4.193 1.00 24.43 H new ATOM 0 HG2 ARG A 19 8.655 -10.593 4.223 1.00 12.42 H new ATOM 0 HG3 ARG A 19 8.069 -9.891 5.718 1.00 12.42 H new ATOM 0 HD2 ARG A 19 8.755 -11.838 7.001 1.00 14.54 H new ATOM 0 HD3 ARG A 19 9.090 -12.757 5.546 1.00 14.54 H new ATOM 0 HE ARG A 19 11.104 -11.553 5.208 1.00 54.10 H new ATOM 0 HH11 ARG A 19 9.415 -10.331 8.029 1.00 21.41 H new ATOM 0 HH12 ARG A 19 10.808 -9.375 8.545 1.00 21.41 H new ATOM 0 HH21 ARG A 19 12.784 -10.326 5.879 1.00 44.15 H new ATOM 0 HH22 ARG A 19 12.663 -9.372 7.362 1.00 44.15 H new ATOM 297 N ALA A 20 6.353 -9.801 1.996 1.00 70.23 N ATOM 298 CA ALA A 20 6.883 -8.934 0.910 1.00 24.54 C ATOM 299 C ALA A 20 6.081 -7.616 0.817 1.00 52.11 C ATOM 300 O ALA A 20 6.653 -6.533 0.645 1.00 54.14 O ATOM 301 CB ALA A 20 6.866 -9.683 -0.433 1.00 0.21 C ATOM 0 H ALA A 20 5.956 -10.681 1.667 1.00 70.23 H new ATOM 0 HA ALA A 20 7.916 -8.681 1.147 1.00 24.54 H new ATOM 0 HB1 ALA A 20 7.257 -9.034 -1.217 1.00 0.21 H new ATOM 0 HB2 ALA A 20 7.486 -10.577 -0.359 1.00 0.21 H new ATOM 0 HB3 ALA A 20 5.843 -9.970 -0.677 1.00 0.21 H new ATOM 307 N VAL A 21 4.747 -7.740 0.956 1.00 22.32 N ATOM 308 CA VAL A 21 3.822 -6.591 1.027 1.00 64.05 C ATOM 309 C VAL A 21 4.039 -5.808 2.341 1.00 14.32 C ATOM 310 O VAL A 21 4.300 -4.619 2.312 1.00 41.41 O ATOM 311 CB VAL A 21 2.322 -7.067 0.929 1.00 61.54 C ATOM 312 CG1 VAL A 21 1.328 -5.903 1.180 1.00 3.23 C ATOM 313 CG2 VAL A 21 2.041 -7.752 -0.434 1.00 2.21 C ATOM 0 H VAL A 21 4.278 -8.643 1.023 1.00 22.32 H new ATOM 0 HA VAL A 21 4.033 -5.936 0.181 1.00 64.05 H new ATOM 0 HB VAL A 21 2.166 -7.803 1.718 1.00 61.54 H new ATOM 0 HG11 VAL A 21 0.306 -6.274 1.103 1.00 3.23 H new ATOM 0 HG12 VAL A 21 1.491 -5.494 2.177 1.00 3.23 H new ATOM 0 HG13 VAL A 21 1.487 -5.122 0.437 1.00 3.23 H new ATOM 0 HG21 VAL A 21 0.999 -8.070 -0.473 1.00 2.21 H new ATOM 0 HG22 VAL A 21 2.236 -7.047 -1.242 1.00 2.21 H new ATOM 0 HG23 VAL A 21 2.690 -8.621 -0.545 1.00 2.21 H new ATOM 323 N TYR A 22 3.974 -6.524 3.475 1.00 61.24 N ATOM 324 CA TYR A 22 4.097 -5.949 4.839 1.00 0.34 C ATOM 325 C TYR A 22 5.411 -5.129 5.030 1.00 12.10 C ATOM 326 O TYR A 22 5.370 -3.973 5.440 1.00 24.11 O ATOM 327 CB TYR A 22 4.029 -7.099 5.893 1.00 64.41 C ATOM 328 CG TYR A 22 2.633 -7.530 6.388 1.00 62.32 C ATOM 329 CD1 TYR A 22 1.498 -7.444 5.583 1.00 43.13 C ATOM 330 CD2 TYR A 22 2.470 -8.050 7.683 1.00 4.24 C ATOM 331 CE1 TYR A 22 0.258 -7.855 6.048 1.00 63.52 C ATOM 332 CE2 TYR A 22 1.231 -8.456 8.145 1.00 74.20 C ATOM 333 CZ TYR A 22 0.129 -8.357 7.325 1.00 30.51 C ATOM 334 OH TYR A 22 -1.110 -8.770 7.782 1.00 3.22 O ATOM 0 H TYR A 22 3.833 -7.534 3.478 1.00 61.24 H new ATOM 0 HA TYR A 22 3.268 -5.256 4.979 1.00 0.34 H new ATOM 0 HB2 TYR A 22 4.520 -7.974 5.468 1.00 64.41 H new ATOM 0 HB3 TYR A 22 4.614 -6.795 6.761 1.00 64.41 H new ATOM 0 HD1 TYR A 22 1.586 -7.051 4.581 1.00 43.13 H new ATOM 0 HD2 TYR A 22 3.330 -8.134 8.331 1.00 4.24 H new ATOM 0 HE1 TYR A 22 -0.609 -7.782 5.408 1.00 63.52 H new ATOM 0 HE2 TYR A 22 1.128 -8.849 9.146 1.00 74.20 H new ATOM 0 HH TYR A 22 -1.118 -9.746 7.868 1.00 3.22 H new ATOM 344 N ARG A 23 6.555 -5.740 4.693 1.00 73.04 N ATOM 345 CA ARG A 23 7.898 -5.131 4.880 1.00 5.50 C ATOM 346 C ARG A 23 8.084 -3.887 3.978 1.00 43.11 C ATOM 347 O ARG A 23 8.796 -2.943 4.340 1.00 63.24 O ATOM 348 CB ARG A 23 9.002 -6.188 4.610 1.00 21.31 C ATOM 349 CG ARG A 23 10.405 -5.807 5.139 1.00 53.03 C ATOM 350 CD ARG A 23 11.440 -6.935 4.969 1.00 61.50 C ATOM 351 NE ARG A 23 12.671 -6.668 5.733 1.00 74.15 N ATOM 352 CZ ARG A 23 13.885 -6.556 5.242 1.00 70.12 C ATOM 353 NH1 ARG A 23 14.116 -6.613 3.963 1.00 74.14 N ATOM 354 NH2 ARG A 23 14.873 -6.367 6.045 1.00 53.04 N ATOM 0 H ARG A 23 6.585 -6.673 4.281 1.00 73.04 H new ATOM 0 HA ARG A 23 7.982 -4.795 5.913 1.00 5.50 H new ATOM 0 HB2 ARG A 23 8.701 -7.132 5.065 1.00 21.31 H new ATOM 0 HB3 ARG A 23 9.068 -6.358 3.535 1.00 21.31 H new ATOM 0 HG2 ARG A 23 10.756 -4.918 4.615 1.00 53.03 H new ATOM 0 HG3 ARG A 23 10.331 -5.546 6.195 1.00 53.03 H new ATOM 0 HD2 ARG A 23 11.006 -7.879 5.298 1.00 61.50 H new ATOM 0 HD3 ARG A 23 11.685 -7.047 3.913 1.00 61.50 H new ATOM 0 HE ARG A 23 12.571 -6.559 6.742 1.00 74.15 H new ATOM 0 HH11 ARG A 23 13.343 -6.748 3.311 1.00 74.14 H new ATOM 0 HH12 ARG A 23 15.070 -6.523 3.612 1.00 74.14 H new ATOM 0 HH21 ARG A 23 14.709 -6.306 7.050 1.00 53.04 H new ATOM 0 HH22 ARG A 23 15.820 -6.278 5.676 1.00 53.04 H new ATOM 368 N GLN A 24 7.434 -3.906 2.802 1.00 41.53 N ATOM 369 CA GLN A 24 7.391 -2.746 1.892 1.00 30.44 C ATOM 370 C GLN A 24 6.433 -1.638 2.416 1.00 75.11 C ATOM 371 O GLN A 24 6.793 -0.463 2.409 1.00 3.42 O ATOM 372 CB GLN A 24 6.978 -3.196 0.458 1.00 5.51 C ATOM 373 CG GLN A 24 6.736 -2.053 -0.559 1.00 33.44 C ATOM 374 CD GLN A 24 7.976 -1.229 -0.968 1.00 75.14 C ATOM 375 OE1 GLN A 24 8.955 -1.100 -0.237 1.00 13.21 O ATOM 376 NE2 GLN A 24 7.917 -0.605 -2.131 1.00 52.32 N ATOM 0 H GLN A 24 6.926 -4.720 2.456 1.00 41.53 H new ATOM 0 HA GLN A 24 8.393 -2.319 1.852 1.00 30.44 H new ATOM 0 HB2 GLN A 24 7.756 -3.850 0.064 1.00 5.51 H new ATOM 0 HB3 GLN A 24 6.068 -3.791 0.532 1.00 5.51 H new ATOM 0 HG2 GLN A 24 6.298 -2.483 -1.460 1.00 33.44 H new ATOM 0 HG3 GLN A 24 5.996 -1.372 -0.139 1.00 33.44 H new ATOM 0 HE21 GLN A 24 7.099 -0.719 -2.730 1.00 52.32 H new ATOM 0 HE22 GLN A 24 8.689 -0.009 -2.430 1.00 52.32 H new ATOM 385 N VAL A 25 5.237 -2.027 2.912 1.00 31.14 N ATOM 386 CA VAL A 25 4.170 -1.068 3.299 1.00 64.15 C ATOM 387 C VAL A 25 4.508 -0.326 4.613 1.00 32.33 C ATOM 388 O VAL A 25 4.279 0.869 4.704 1.00 61.40 O ATOM 389 CB VAL A 25 2.741 -1.750 3.389 1.00 65.11 C ATOM 390 CG1 VAL A 25 1.670 -0.795 3.994 1.00 70.31 C ATOM 391 CG2 VAL A 25 2.279 -2.255 1.995 1.00 0.22 C ATOM 0 H VAL A 25 4.983 -3.004 3.056 1.00 31.14 H new ATOM 0 HA VAL A 25 4.126 -0.330 2.498 1.00 64.15 H new ATOM 0 HB VAL A 25 2.841 -2.603 4.061 1.00 65.11 H new ATOM 0 HG11 VAL A 25 0.708 -1.306 4.035 1.00 70.31 H new ATOM 0 HG12 VAL A 25 1.970 -0.504 5.001 1.00 70.31 H new ATOM 0 HG13 VAL A 25 1.581 0.094 3.370 1.00 70.31 H new ATOM 0 HG21 VAL A 25 1.296 -2.719 2.083 1.00 0.22 H new ATOM 0 HG22 VAL A 25 2.223 -1.414 1.304 1.00 0.22 H new ATOM 0 HG23 VAL A 25 2.993 -2.987 1.618 1.00 0.22 H new ATOM 401 N LEU A 26 5.054 -1.017 5.626 1.00 1.21 N ATOM 402 CA LEU A 26 5.445 -0.365 6.906 1.00 43.12 C ATOM 403 C LEU A 26 6.915 0.140 6.864 1.00 53.32 C ATOM 404 O LEU A 26 7.260 1.111 7.541 1.00 32.22 O ATOM 405 CB LEU A 26 5.202 -1.297 8.133 1.00 5.22 C ATOM 406 CG LEU A 26 3.707 -1.733 8.393 1.00 41.14 C ATOM 407 CD1 LEU A 26 3.300 -2.981 7.578 1.00 32.41 C ATOM 408 CD2 LEU A 26 3.414 -1.926 9.904 1.00 51.01 C ATOM 0 H LEU A 26 5.238 -2.020 5.594 1.00 1.21 H new ATOM 0 HA LEU A 26 4.800 0.505 7.029 1.00 43.12 H new ATOM 0 HB2 LEU A 26 5.804 -2.197 8.004 1.00 5.22 H new ATOM 0 HB3 LEU A 26 5.571 -0.792 9.025 1.00 5.22 H new ATOM 0 HG LEU A 26 3.086 -0.910 8.039 1.00 41.14 H new ATOM 0 HD11 LEU A 26 2.263 -3.236 7.796 1.00 32.41 H new ATOM 0 HD12 LEU A 26 3.406 -2.771 6.514 1.00 32.41 H new ATOM 0 HD13 LEU A 26 3.944 -3.818 7.849 1.00 32.41 H new ATOM 0 HD21 LEU A 26 2.375 -2.226 10.038 1.00 51.01 H new ATOM 0 HD22 LEU A 26 4.069 -2.699 10.306 1.00 51.01 H new ATOM 0 HD23 LEU A 26 3.592 -0.989 10.432 1.00 51.01 H new ATOM 420 N GLY A 27 7.775 -0.511 6.057 1.00 75.33 N ATOM 421 CA GLY A 27 9.196 -0.111 5.932 1.00 33.11 C ATOM 422 C GLY A 27 10.097 -0.736 7.017 1.00 14.25 C ATOM 423 O GLY A 27 11.066 -1.441 6.706 1.00 14.23 O ATOM 0 H GLY A 27 7.515 -1.313 5.483 1.00 75.33 H new ATOM 0 HA2 GLY A 27 9.565 -0.404 4.949 1.00 33.11 H new ATOM 0 HA3 GLY A 27 9.268 0.975 5.989 1.00 33.11 H new ATOM 427 N ASN A 28 9.773 -0.461 8.301 1.00 62.30 N ATOM 428 CA ASN A 28 10.440 -1.091 9.476 1.00 22.13 C ATOM 429 C ASN A 28 9.851 -2.493 9.725 1.00 40.15 C ATOM 430 O ASN A 28 9.250 -2.771 10.778 1.00 54.11 O ATOM 431 CB ASN A 28 10.284 -0.186 10.726 1.00 33.23 C ATOM 432 CG ASN A 28 11.005 1.147 10.579 1.00 14.20 C ATOM 433 OD1 ASN A 28 10.448 2.123 10.084 1.00 73.12 O ATOM 434 ND2 ASN A 28 12.252 1.203 11.003 1.00 23.13 N ATOM 0 H ASN A 28 9.043 0.203 8.558 1.00 62.30 H new ATOM 0 HA ASN A 28 11.505 -1.201 9.271 1.00 22.13 H new ATOM 0 HB2 ASN A 28 9.225 -0.004 10.908 1.00 33.23 H new ATOM 0 HB3 ASN A 28 10.672 -0.710 11.600 1.00 33.23 H new ATOM 0 HD21 ASN A 28 12.779 2.073 10.924 1.00 23.13 H new ATOM 0 HD22 ASN A 28 12.690 0.377 11.410 1.00 23.13 H new ATOM 441 N ASP A 29 10.064 -3.371 8.729 1.00 1.41 N ATOM 442 CA ASP A 29 9.355 -4.646 8.600 1.00 22.31 C ATOM 443 C ASP A 29 7.820 -4.441 8.698 1.00 63.02 C ATOM 444 O ASP A 29 7.210 -3.927 7.753 1.00 5.23 O ATOM 445 CB ASP A 29 9.912 -5.736 9.580 1.00 13.32 C ATOM 446 CG ASP A 29 11.228 -6.374 9.093 1.00 3.40 C ATOM 447 OD1 ASP A 29 12.140 -5.639 8.647 1.00 70.51 O ATOM 448 OD2 ASP A 29 11.362 -7.618 9.151 1.00 21.00 O ATOM 0 H ASP A 29 10.742 -3.209 7.985 1.00 1.41 H new ATOM 0 HA ASP A 29 9.548 -5.041 7.603 1.00 22.31 H new ATOM 0 HB2 ASP A 29 10.074 -5.286 10.559 1.00 13.32 H new ATOM 0 HB3 ASP A 29 9.163 -6.517 9.708 1.00 13.32 H new ATOM 453 N TYR A 30 7.225 -4.755 9.866 1.00 60.12 N ATOM 454 CA TYR A 30 5.759 -4.842 10.019 1.00 41.44 C ATOM 455 C TYR A 30 5.333 -5.147 11.461 1.00 22.42 C ATOM 456 O TYR A 30 6.140 -5.132 12.394 1.00 20.41 O ATOM 457 CB TYR A 30 5.181 -5.936 9.070 1.00 4.03 C ATOM 458 CG TYR A 30 5.918 -7.291 9.121 1.00 42.41 C ATOM 459 CD1 TYR A 30 5.804 -8.155 10.214 1.00 71.21 C ATOM 460 CD2 TYR A 30 6.736 -7.688 8.067 1.00 51.34 C ATOM 461 CE1 TYR A 30 6.478 -9.358 10.242 1.00 70.45 C ATOM 462 CE2 TYR A 30 7.402 -8.881 8.095 1.00 33.45 C ATOM 463 CZ TYR A 30 7.273 -9.718 9.183 1.00 15.25 C ATOM 464 OH TYR A 30 7.941 -10.922 9.205 1.00 14.34 O ATOM 0 H TYR A 30 7.742 -4.954 10.723 1.00 60.12 H new ATOM 0 HA TYR A 30 5.358 -3.863 9.754 1.00 41.44 H new ATOM 0 HB2 TYR A 30 4.133 -6.099 9.322 1.00 4.03 H new ATOM 0 HB3 TYR A 30 5.209 -5.561 8.047 1.00 4.03 H new ATOM 0 HD1 TYR A 30 5.179 -7.876 11.049 1.00 71.21 H new ATOM 0 HD2 TYR A 30 6.847 -7.040 7.210 1.00 51.34 H new ATOM 0 HE1 TYR A 30 6.380 -10.014 11.094 1.00 70.45 H new ATOM 0 HE2 TYR A 30 8.030 -9.168 7.264 1.00 33.45 H new ATOM 0 HH TYR A 30 7.376 -11.617 8.807 1.00 14.34 H new ATOM 474 N VAL A 31 4.027 -5.414 11.610 1.00 21.20 N ATOM 475 CA VAL A 31 3.441 -5.992 12.822 1.00 35.51 C ATOM 476 C VAL A 31 2.966 -7.439 12.546 1.00 33.10 C ATOM 477 O VAL A 31 2.224 -7.685 11.592 1.00 21.41 O ATOM 478 CB VAL A 31 2.215 -5.154 13.323 1.00 70.40 C ATOM 479 CG1 VAL A 31 1.651 -5.734 14.640 1.00 20.45 C ATOM 480 CG2 VAL A 31 2.583 -3.661 13.459 1.00 43.03 C ATOM 0 H VAL A 31 3.340 -5.230 10.879 1.00 21.20 H new ATOM 0 HA VAL A 31 4.214 -5.986 13.591 1.00 35.51 H new ATOM 0 HB VAL A 31 1.425 -5.223 12.575 1.00 70.40 H new ATOM 0 HG11 VAL A 31 0.801 -5.135 14.967 1.00 20.45 H new ATOM 0 HG12 VAL A 31 1.329 -6.762 14.476 1.00 20.45 H new ATOM 0 HG13 VAL A 31 2.425 -5.714 15.407 1.00 20.45 H new ATOM 0 HG21 VAL A 31 1.714 -3.103 13.808 1.00 43.03 H new ATOM 0 HG22 VAL A 31 3.397 -3.551 14.175 1.00 43.03 H new ATOM 0 HG23 VAL A 31 2.898 -3.274 12.490 1.00 43.03 H new ATOM 490 N MET A 32 3.452 -8.379 13.359 1.00 74.02 N ATOM 491 CA MET A 32 2.881 -9.739 13.509 1.00 31.41 C ATOM 492 C MET A 32 2.893 -10.122 15.011 1.00 11.42 C ATOM 493 O MET A 32 3.431 -9.378 15.842 1.00 4.51 O ATOM 494 CB MET A 32 3.638 -10.797 12.644 1.00 4.13 C ATOM 495 CG MET A 32 3.329 -10.746 11.134 1.00 11.44 C ATOM 496 SD MET A 32 4.218 -12.012 10.189 1.00 31.31 S ATOM 497 CE MET A 32 3.694 -11.661 8.504 1.00 13.23 C ATOM 0 H MET A 32 4.270 -8.223 13.948 1.00 74.02 H new ATOM 0 HA MET A 32 1.855 -9.731 13.142 1.00 31.41 H new ATOM 0 HB2 MET A 32 4.710 -10.660 12.785 1.00 4.13 H new ATOM 0 HB3 MET A 32 3.392 -11.792 13.016 1.00 4.13 H new ATOM 0 HG2 MET A 32 2.257 -10.873 10.983 1.00 11.44 H new ATOM 0 HG3 MET A 32 3.591 -9.761 10.748 1.00 11.44 H new ATOM 0 HE1 MET A 32 4.167 -12.367 7.821 1.00 13.23 H new ATOM 0 HE2 MET A 32 2.611 -11.758 8.432 1.00 13.23 H new ATOM 0 HE3 MET A 32 3.986 -10.646 8.236 1.00 13.23 H new ATOM 507 N SER A 33 2.264 -11.268 15.339 1.00 55.31 N ATOM 508 CA SER A 33 2.077 -11.788 16.730 1.00 41.12 C ATOM 509 C SER A 33 1.017 -11.006 17.560 1.00 43.01 C ATOM 510 O SER A 33 0.371 -11.600 18.434 1.00 15.21 O ATOM 511 CB SER A 33 3.417 -11.894 17.517 1.00 31.13 C ATOM 512 OG SER A 33 4.334 -12.769 16.864 1.00 43.11 O ATOM 0 H SER A 33 1.857 -11.882 14.633 1.00 55.31 H new ATOM 0 HA SER A 33 1.685 -12.795 16.590 1.00 41.12 H new ATOM 0 HB2 SER A 33 3.863 -10.904 17.615 1.00 31.13 H new ATOM 0 HB3 SER A 33 3.221 -12.257 18.526 1.00 31.13 H new ATOM 0 HG SER A 33 5.166 -12.815 17.379 1.00 43.11 H new ATOM 518 N THR A 34 0.832 -9.685 17.300 1.00 60.24 N ATOM 519 CA THR A 34 -0.132 -8.853 18.069 1.00 75.21 C ATOM 520 C THR A 34 -1.570 -8.965 17.462 1.00 3.15 C ATOM 521 O THR A 34 -2.389 -9.716 17.988 1.00 60.52 O ATOM 522 CB THR A 34 0.338 -7.341 18.212 1.00 3.40 C ATOM 523 OG1 THR A 34 -0.041 -6.537 17.085 1.00 34.22 O ATOM 524 CG2 THR A 34 1.869 -7.226 18.365 1.00 72.15 C ATOM 0 H THR A 34 1.333 -9.177 16.571 1.00 60.24 H new ATOM 0 HA THR A 34 -0.163 -9.251 19.083 1.00 75.21 H new ATOM 0 HB THR A 34 -0.162 -6.975 19.109 1.00 3.40 H new ATOM 0 HG1 THR A 34 0.268 -5.617 17.221 1.00 34.22 H new ATOM 0 HG21 THR A 34 2.147 -6.176 18.460 1.00 72.15 H new ATOM 0 HG22 THR A 34 2.187 -7.768 19.256 1.00 72.15 H new ATOM 0 HG23 THR A 34 2.355 -7.653 17.488 1.00 72.15 H new ATOM 532 N GLU A 35 -1.840 -8.262 16.329 1.00 22.22 N ATOM 533 CA GLU A 35 -3.149 -8.283 15.608 1.00 62.52 C ATOM 534 C GLU A 35 -2.968 -7.819 14.136 1.00 13.54 C ATOM 535 O GLU A 35 -3.589 -6.843 13.695 1.00 24.20 O ATOM 536 CB GLU A 35 -4.246 -7.391 16.300 1.00 51.51 C ATOM 537 CG GLU A 35 -4.938 -7.997 17.535 1.00 31.04 C ATOM 538 CD GLU A 35 -6.089 -7.124 18.062 1.00 12.04 C ATOM 539 OE1 GLU A 35 -5.842 -6.216 18.890 1.00 65.42 O ATOM 540 OE2 GLU A 35 -7.250 -7.337 17.644 1.00 70.42 O ATOM 0 H GLU A 35 -1.150 -7.658 15.883 1.00 22.22 H new ATOM 0 HA GLU A 35 -3.496 -9.316 15.638 1.00 62.52 H new ATOM 0 HB2 GLU A 35 -3.785 -6.448 16.594 1.00 51.51 H new ATOM 0 HB3 GLU A 35 -5.011 -7.154 15.561 1.00 51.51 H new ATOM 0 HG2 GLU A 35 -5.324 -8.984 17.282 1.00 31.04 H new ATOM 0 HG3 GLU A 35 -4.202 -8.136 18.327 1.00 31.04 H new ATOM 547 N ARG A 36 -2.115 -8.528 13.379 1.00 52.03 N ATOM 548 CA ARG A 36 -1.955 -8.279 11.926 1.00 41.31 C ATOM 549 C ARG A 36 -3.240 -8.696 11.159 1.00 75.40 C ATOM 550 O ARG A 36 -4.050 -9.475 11.678 1.00 0.24 O ATOM 551 CB ARG A 36 -0.678 -8.995 11.398 1.00 2.20 C ATOM 552 CG ARG A 36 -0.596 -10.534 11.624 1.00 70.33 C ATOM 553 CD ARG A 36 -1.224 -11.371 10.490 1.00 51.31 C ATOM 554 NE ARG A 36 -1.153 -12.818 10.774 1.00 61.25 N ATOM 555 CZ ARG A 36 -0.926 -13.777 9.896 1.00 71.25 C ATOM 556 NH1 ARG A 36 -0.672 -13.514 8.649 1.00 2.24 N ATOM 557 NH2 ARG A 36 -0.936 -15.009 10.288 1.00 14.13 N ATOM 0 H ARG A 36 -1.525 -9.277 13.742 1.00 52.03 H new ATOM 0 HA ARG A 36 -1.819 -7.212 11.751 1.00 41.31 H new ATOM 0 HB2 ARG A 36 -0.598 -8.803 10.328 1.00 2.20 H new ATOM 0 HB3 ARG A 36 0.190 -8.535 11.870 1.00 2.20 H new ATOM 0 HG2 ARG A 36 0.450 -10.819 11.735 1.00 70.33 H new ATOM 0 HG3 ARG A 36 -1.095 -10.780 12.562 1.00 70.33 H new ATOM 0 HD2 ARG A 36 -2.265 -11.078 10.355 1.00 51.31 H new ATOM 0 HD3 ARG A 36 -0.709 -11.159 9.553 1.00 51.31 H new ATOM 0 HE ARG A 36 -1.293 -13.104 11.743 1.00 61.25 H new ATOM 0 HH11 ARG A 36 -0.644 -12.546 8.327 1.00 2.24 H new ATOM 0 HH12 ARG A 36 -0.500 -14.275 7.992 1.00 2.24 H new ATOM 0 HH21 ARG A 36 -1.118 -15.231 11.267 1.00 14.13 H new ATOM 0 HH22 ARG A 36 -0.762 -15.759 9.619 1.00 14.13 H new ATOM 571 N LEU A 37 -3.402 -8.191 9.920 1.00 45.12 N ATOM 572 CA LEU A 37 -4.666 -8.328 9.152 1.00 24.15 C ATOM 573 C LEU A 37 -4.858 -9.771 8.634 1.00 74.51 C ATOM 574 O LEU A 37 -4.575 -10.069 7.470 1.00 73.11 O ATOM 575 CB LEU A 37 -4.741 -7.308 7.971 1.00 51.54 C ATOM 576 CG LEU A 37 -4.643 -5.787 8.345 1.00 33.41 C ATOM 577 CD1 LEU A 37 -3.179 -5.333 8.578 1.00 61.13 C ATOM 578 CD2 LEU A 37 -5.345 -4.905 7.287 1.00 42.05 C ATOM 0 H LEU A 37 -2.672 -7.681 9.423 1.00 45.12 H new ATOM 0 HA LEU A 37 -5.480 -8.102 9.841 1.00 24.15 H new ATOM 0 HB2 LEU A 37 -3.938 -7.539 7.271 1.00 51.54 H new ATOM 0 HB3 LEU A 37 -5.681 -7.468 7.442 1.00 51.54 H new ATOM 0 HG LEU A 37 -5.167 -5.657 9.292 1.00 33.41 H new ATOM 0 HD11 LEU A 37 -3.163 -4.274 8.834 1.00 61.13 H new ATOM 0 HD12 LEU A 37 -2.745 -5.910 9.394 1.00 61.13 H new ATOM 0 HD13 LEU A 37 -2.599 -5.496 7.670 1.00 61.13 H new ATOM 0 HD21 LEU A 37 -5.261 -3.857 7.573 1.00 42.05 H new ATOM 0 HD22 LEU A 37 -4.872 -5.055 6.316 1.00 42.05 H new ATOM 0 HD23 LEU A 37 -6.398 -5.180 7.224 1.00 42.05 H new ATOM 590 N THR A 38 -5.334 -10.660 9.534 1.00 73.34 N ATOM 591 CA THR A 38 -5.573 -12.083 9.215 1.00 34.01 C ATOM 592 C THR A 38 -6.770 -12.255 8.258 1.00 45.20 C ATOM 593 O THR A 38 -6.778 -13.161 7.436 1.00 11.42 O ATOM 594 CB THR A 38 -5.785 -12.964 10.497 1.00 74.01 C ATOM 595 OG1 THR A 38 -5.884 -14.358 10.133 1.00 70.11 O ATOM 596 CG2 THR A 38 -7.043 -12.565 11.291 1.00 54.21 C ATOM 0 H THR A 38 -5.562 -10.412 10.497 1.00 73.34 H new ATOM 0 HA THR A 38 -4.668 -12.433 8.718 1.00 34.01 H new ATOM 0 HB THR A 38 -4.918 -12.796 11.136 1.00 74.01 H new ATOM 0 HG1 THR A 38 -5.384 -14.516 9.305 1.00 70.11 H new ATOM 0 HG21 THR A 38 -7.140 -13.207 12.166 1.00 54.21 H new ATOM 0 HG22 THR A 38 -6.957 -11.526 11.610 1.00 54.21 H new ATOM 0 HG23 THR A 38 -7.924 -12.679 10.659 1.00 54.21 H new ATOM 604 N SER A 39 -7.769 -11.357 8.375 1.00 23.43 N ATOM 605 CA SER A 39 -8.946 -11.328 7.479 1.00 21.24 C ATOM 606 C SER A 39 -8.523 -11.145 5.999 1.00 62.44 C ATOM 607 O SER A 39 -8.953 -11.898 5.122 1.00 71.42 O ATOM 608 CB SER A 39 -9.908 -10.189 7.906 1.00 43.35 C ATOM 609 OG SER A 39 -10.374 -10.373 9.239 1.00 31.25 O ATOM 0 H SER A 39 -7.784 -10.632 9.092 1.00 23.43 H new ATOM 0 HA SER A 39 -9.461 -12.285 7.564 1.00 21.24 H new ATOM 0 HB2 SER A 39 -9.396 -9.230 7.827 1.00 43.35 H new ATOM 0 HB3 SER A 39 -10.757 -10.154 7.224 1.00 43.35 H new ATOM 0 HG SER A 39 -10.977 -9.638 9.479 1.00 31.25 H new ATOM 615 N ALA A 40 -7.650 -10.151 5.752 1.00 43.44 N ATOM 616 CA ALA A 40 -7.142 -9.831 4.400 1.00 32.50 C ATOM 617 C ALA A 40 -6.235 -10.955 3.823 1.00 51.33 C ATOM 618 O ALA A 40 -6.447 -11.419 2.696 1.00 34.21 O ATOM 619 CB ALA A 40 -6.390 -8.488 4.427 1.00 33.14 C ATOM 0 H ALA A 40 -7.275 -9.546 6.482 1.00 43.44 H new ATOM 0 HA ALA A 40 -8.004 -9.752 3.737 1.00 32.50 H new ATOM 0 HB1 ALA A 40 -6.019 -8.259 3.428 1.00 33.14 H new ATOM 0 HB2 ALA A 40 -7.067 -7.698 4.753 1.00 33.14 H new ATOM 0 HB3 ALA A 40 -5.551 -8.555 5.120 1.00 33.14 H new ATOM 625 N GLU A 41 -5.228 -11.398 4.609 1.00 62.32 N ATOM 626 CA GLU A 41 -4.224 -12.397 4.147 1.00 73.12 C ATOM 627 C GLU A 41 -4.811 -13.824 3.978 1.00 43.44 C ATOM 628 O GLU A 41 -4.304 -14.602 3.171 1.00 24.14 O ATOM 629 CB GLU A 41 -2.947 -12.371 5.046 1.00 43.05 C ATOM 630 CG GLU A 41 -3.120 -12.710 6.546 1.00 65.22 C ATOM 631 CD GLU A 41 -3.209 -14.213 6.868 1.00 63.22 C ATOM 632 OE1 GLU A 41 -2.240 -14.945 6.582 1.00 25.12 O ATOM 633 OE2 GLU A 41 -4.242 -14.668 7.402 1.00 0.03 O ATOM 0 H GLU A 41 -5.085 -11.082 5.568 1.00 62.32 H new ATOM 0 HA GLU A 41 -3.921 -12.097 3.144 1.00 73.12 H new ATOM 0 HB2 GLU A 41 -2.225 -13.071 4.625 1.00 43.05 H new ATOM 0 HB3 GLU A 41 -2.506 -11.377 4.975 1.00 43.05 H new ATOM 0 HG2 GLU A 41 -2.282 -12.285 7.098 1.00 65.22 H new ATOM 0 HG3 GLU A 41 -4.023 -12.221 6.912 1.00 65.22 H new ATOM 640 N SER A 42 -5.854 -14.174 4.766 1.00 70.23 N ATOM 641 CA SER A 42 -6.618 -15.445 4.573 1.00 40.03 C ATOM 642 C SER A 42 -7.396 -15.444 3.234 1.00 51.30 C ATOM 643 O SER A 42 -7.555 -16.493 2.603 1.00 61.41 O ATOM 644 CB SER A 42 -7.607 -15.703 5.739 1.00 63.03 C ATOM 645 OG SER A 42 -6.924 -15.931 6.964 1.00 44.32 O ATOM 0 H SER A 42 -6.191 -13.602 5.540 1.00 70.23 H new ATOM 0 HA SER A 42 -5.880 -16.247 4.554 1.00 40.03 H new ATOM 0 HB2 SER A 42 -8.274 -14.847 5.847 1.00 63.03 H new ATOM 0 HB3 SER A 42 -8.231 -16.565 5.504 1.00 63.03 H new ATOM 0 HG SER A 42 -6.722 -15.072 7.391 1.00 44.32 H new ATOM 651 N LEU A 43 -7.892 -14.260 2.819 1.00 1.11 N ATOM 652 CA LEU A 43 -8.568 -14.077 1.509 1.00 52.14 C ATOM 653 C LEU A 43 -7.548 -14.068 0.343 1.00 10.32 C ATOM 654 O LEU A 43 -7.879 -14.459 -0.776 1.00 43.11 O ATOM 655 CB LEU A 43 -9.416 -12.772 1.501 1.00 64.22 C ATOM 656 CG LEU A 43 -10.623 -12.724 2.497 1.00 55.34 C ATOM 657 CD1 LEU A 43 -11.375 -11.373 2.413 1.00 44.43 C ATOM 658 CD2 LEU A 43 -11.578 -13.924 2.290 1.00 45.11 C ATOM 0 H LEU A 43 -7.838 -13.407 3.375 1.00 1.11 H new ATOM 0 HA LEU A 43 -9.237 -14.925 1.363 1.00 52.14 H new ATOM 0 HB2 LEU A 43 -8.756 -11.933 1.723 1.00 64.22 H new ATOM 0 HB3 LEU A 43 -9.799 -12.619 0.492 1.00 64.22 H new ATOM 0 HG LEU A 43 -10.217 -12.805 3.505 1.00 55.34 H new ATOM 0 HD11 LEU A 43 -12.206 -11.375 3.118 1.00 44.43 H new ATOM 0 HD12 LEU A 43 -10.692 -10.560 2.660 1.00 44.43 H new ATOM 0 HD13 LEU A 43 -11.757 -11.231 1.402 1.00 44.43 H new ATOM 0 HD21 LEU A 43 -12.404 -13.858 2.998 1.00 45.11 H new ATOM 0 HD22 LEU A 43 -11.970 -13.906 1.273 1.00 45.11 H new ATOM 0 HD23 LEU A 43 -11.034 -14.854 2.453 1.00 45.11 H new ATOM 670 N LEU A 44 -6.307 -13.607 0.612 1.00 34.11 N ATOM 671 CA LEU A 44 -5.199 -13.670 -0.376 1.00 32.00 C ATOM 672 C LEU A 44 -4.782 -15.141 -0.623 1.00 45.00 C ATOM 673 O LEU A 44 -4.701 -15.594 -1.763 1.00 3.00 O ATOM 674 CB LEU A 44 -3.976 -12.833 0.101 1.00 34.44 C ATOM 675 CG LEU A 44 -2.773 -12.757 -0.903 1.00 33.30 C ATOM 676 CD1 LEU A 44 -3.178 -12.052 -2.221 1.00 11.44 C ATOM 677 CD2 LEU A 44 -1.534 -12.093 -0.255 1.00 43.43 C ATOM 0 H LEU A 44 -6.044 -13.187 1.503 1.00 34.11 H new ATOM 0 HA LEU A 44 -5.556 -13.243 -1.313 1.00 32.00 H new ATOM 0 HB2 LEU A 44 -4.313 -11.818 0.313 1.00 34.44 H new ATOM 0 HB3 LEU A 44 -3.616 -13.252 1.041 1.00 34.44 H new ATOM 0 HG LEU A 44 -2.494 -13.780 -1.157 1.00 33.30 H new ATOM 0 HD11 LEU A 44 -2.321 -12.017 -2.893 1.00 11.44 H new ATOM 0 HD12 LEU A 44 -3.989 -12.605 -2.695 1.00 11.44 H new ATOM 0 HD13 LEU A 44 -3.510 -11.037 -2.003 1.00 11.44 H new ATOM 0 HD21 LEU A 44 -0.720 -12.057 -0.979 1.00 43.43 H new ATOM 0 HD22 LEU A 44 -1.786 -11.080 0.058 1.00 43.43 H new ATOM 0 HD23 LEU A 44 -1.222 -12.674 0.613 1.00 43.43 H new ATOM 689 N ARG A 45 -4.541 -15.881 0.480 1.00 30.14 N ATOM 690 CA ARG A 45 -4.236 -17.333 0.443 1.00 1.21 C ATOM 691 C ARG A 45 -5.436 -18.159 -0.097 1.00 33.31 C ATOM 692 O ARG A 45 -5.250 -19.197 -0.739 1.00 52.50 O ATOM 693 CB ARG A 45 -3.817 -17.831 1.859 1.00 33.44 C ATOM 694 CG ARG A 45 -2.488 -17.224 2.378 1.00 13.35 C ATOM 695 CD ARG A 45 -2.068 -17.738 3.769 1.00 74.04 C ATOM 696 NE ARG A 45 -2.956 -17.256 4.843 1.00 3.24 N ATOM 697 CZ ARG A 45 -3.666 -18.006 5.654 1.00 31.51 C ATOM 698 NH1 ARG A 45 -3.720 -19.295 5.521 1.00 23.14 N ATOM 699 NH2 ARG A 45 -4.334 -17.452 6.598 1.00 34.31 N ATOM 0 H ARG A 45 -4.552 -15.492 1.423 1.00 30.14 H new ATOM 0 HA ARG A 45 -3.404 -17.482 -0.245 1.00 1.21 H new ATOM 0 HB2 ARG A 45 -4.612 -17.594 2.566 1.00 33.44 H new ATOM 0 HB3 ARG A 45 -3.724 -18.917 1.837 1.00 33.44 H new ATOM 0 HG2 ARG A 45 -1.695 -17.447 1.664 1.00 13.35 H new ATOM 0 HG3 ARG A 45 -2.586 -16.139 2.417 1.00 13.35 H new ATOM 0 HD2 ARG A 45 -2.068 -18.828 3.765 1.00 74.04 H new ATOM 0 HD3 ARG A 45 -1.046 -17.420 3.977 1.00 74.04 H new ATOM 0 HE ARG A 45 -3.025 -16.246 4.968 1.00 3.24 H new ATOM 0 HH11 ARG A 45 -3.202 -19.752 4.771 1.00 23.14 H new ATOM 0 HH12 ARG A 45 -4.280 -19.851 6.167 1.00 23.14 H new ATOM 0 HH21 ARG A 45 -4.310 -16.439 6.713 1.00 34.31 H new ATOM 0 HH22 ARG A 45 -4.889 -18.025 7.234 1.00 34.31 H new ATOM 713 N GLY A 46 -6.663 -17.666 0.163 1.00 61.51 N ATOM 714 CA GLY A 46 -7.901 -18.297 -0.325 1.00 2.10 C ATOM 715 C GLY A 46 -8.285 -17.904 -1.762 1.00 53.41 C ATOM 716 O GLY A 46 -9.341 -18.318 -2.252 1.00 15.31 O ATOM 0 H GLY A 46 -6.821 -16.823 0.715 1.00 61.51 H new ATOM 0 HA2 GLY A 46 -7.788 -19.380 -0.274 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -8.719 -18.030 0.344 1.00 2.10 H new ATOM 720 N GLY A 47 -7.437 -17.082 -2.423 1.00 14.20 N ATOM 721 CA GLY A 47 -7.634 -16.695 -3.838 1.00 22.42 C ATOM 722 C GLY A 47 -8.812 -15.741 -4.106 1.00 42.41 C ATOM 723 O GLY A 47 -9.171 -15.504 -5.264 1.00 60.11 O ATOM 0 H GLY A 47 -6.606 -16.673 -1.996 1.00 14.20 H new ATOM 0 HA2 GLY A 47 -6.719 -16.225 -4.199 1.00 22.42 H new ATOM 0 HA3 GLY A 47 -7.781 -17.600 -4.427 1.00 22.42 H new ATOM 727 N GLU A 48 -9.394 -15.192 -3.034 1.00 42.31 N ATOM 728 CA GLU A 48 -10.604 -14.346 -3.091 1.00 23.51 C ATOM 729 C GLU A 48 -10.311 -12.885 -3.522 1.00 0.24 C ATOM 730 O GLU A 48 -11.165 -12.238 -4.140 1.00 30.42 O ATOM 731 CB GLU A 48 -11.281 -14.366 -1.700 1.00 3.10 C ATOM 732 CG GLU A 48 -11.793 -15.752 -1.251 1.00 14.54 C ATOM 733 CD GLU A 48 -12.942 -16.287 -2.124 1.00 72.15 C ATOM 734 OE1 GLU A 48 -14.107 -15.886 -1.896 1.00 23.13 O ATOM 735 OE2 GLU A 48 -12.695 -17.102 -3.041 1.00 62.21 O ATOM 0 H GLU A 48 -9.037 -15.321 -2.087 1.00 42.31 H new ATOM 0 HA GLU A 48 -11.264 -14.758 -3.854 1.00 23.51 H new ATOM 0 HB2 GLU A 48 -10.570 -13.999 -0.960 1.00 3.10 H new ATOM 0 HB3 GLU A 48 -12.119 -13.670 -1.709 1.00 3.10 H new ATOM 0 HG2 GLU A 48 -10.967 -16.462 -1.275 1.00 14.54 H new ATOM 0 HG3 GLU A 48 -12.130 -15.690 -0.216 1.00 14.54 H new ATOM 742 N ILE A 49 -9.112 -12.367 -3.179 1.00 62.42 N ATOM 743 CA ILE A 49 -8.706 -10.970 -3.508 1.00 74.23 C ATOM 744 C ILE A 49 -7.391 -10.937 -4.330 1.00 53.32 C ATOM 745 O ILE A 49 -6.623 -11.908 -4.345 1.00 65.05 O ATOM 746 CB ILE A 49 -8.535 -10.075 -2.209 1.00 70.41 C ATOM 747 CG1 ILE A 49 -7.353 -10.586 -1.313 1.00 44.51 C ATOM 748 CG2 ILE A 49 -9.861 -9.998 -1.400 1.00 41.42 C ATOM 749 CD1 ILE A 49 -7.052 -9.722 -0.097 1.00 25.40 C ATOM 0 H ILE A 49 -8.400 -12.893 -2.672 1.00 62.42 H new ATOM 0 HA ILE A 49 -9.514 -10.555 -4.110 1.00 74.23 H new ATOM 0 HB ILE A 49 -8.286 -9.066 -2.537 1.00 70.41 H new ATOM 0 HG12 ILE A 49 -7.583 -11.596 -0.975 1.00 44.51 H new ATOM 0 HG13 ILE A 49 -6.454 -10.652 -1.926 1.00 44.51 H new ATOM 0 HG21 ILE A 49 -9.712 -9.378 -0.516 1.00 41.42 H new ATOM 0 HG22 ILE A 49 -10.642 -9.561 -2.022 1.00 41.42 H new ATOM 0 HG23 ILE A 49 -10.159 -11.001 -1.094 1.00 41.42 H new ATOM 0 HD11 ILE A 49 -6.221 -10.155 0.460 1.00 25.40 H new ATOM 0 HD12 ILE A 49 -6.786 -8.716 -0.422 1.00 25.40 H new ATOM 0 HD13 ILE A 49 -7.933 -9.675 0.543 1.00 25.40 H new ATOM 761 N SER A 50 -7.153 -9.800 -5.015 1.00 22.33 N ATOM 762 CA SER A 50 -5.872 -9.525 -5.711 1.00 10.24 C ATOM 763 C SER A 50 -4.830 -8.962 -4.717 1.00 2.00 C ATOM 764 O SER A 50 -5.187 -8.468 -3.637 1.00 40.51 O ATOM 765 CB SER A 50 -6.071 -8.519 -6.881 1.00 5.11 C ATOM 766 OG SER A 50 -6.979 -9.017 -7.854 1.00 72.32 O ATOM 0 H SER A 50 -7.837 -9.048 -5.103 1.00 22.33 H new ATOM 0 HA SER A 50 -5.510 -10.467 -6.122 1.00 10.24 H new ATOM 0 HB2 SER A 50 -6.442 -7.572 -6.488 1.00 5.11 H new ATOM 0 HB3 SER A 50 -5.110 -8.314 -7.352 1.00 5.11 H new ATOM 0 HG SER A 50 -7.081 -8.359 -8.573 1.00 72.32 H new ATOM 772 N VAL A 51 -3.543 -9.033 -5.100 1.00 52.41 N ATOM 773 CA VAL A 51 -2.422 -8.482 -4.290 1.00 24.11 C ATOM 774 C VAL A 51 -2.560 -6.950 -4.108 1.00 71.44 C ATOM 775 O VAL A 51 -2.306 -6.439 -3.035 1.00 55.33 O ATOM 776 CB VAL A 51 -1.033 -8.825 -4.940 1.00 43.13 C ATOM 777 CG1 VAL A 51 0.164 -8.213 -4.155 1.00 23.13 C ATOM 778 CG2 VAL A 51 -0.870 -10.359 -5.090 1.00 53.14 C ATOM 0 H VAL A 51 -3.243 -9.469 -5.972 1.00 52.41 H new ATOM 0 HA VAL A 51 -2.471 -8.951 -3.307 1.00 24.11 H new ATOM 0 HB VAL A 51 -1.021 -8.369 -5.930 1.00 43.13 H new ATOM 0 HG11 VAL A 51 1.098 -8.482 -4.648 1.00 23.13 H new ATOM 0 HG12 VAL A 51 0.066 -7.128 -4.130 1.00 23.13 H new ATOM 0 HG13 VAL A 51 0.167 -8.601 -3.136 1.00 23.13 H new ATOM 0 HG21 VAL A 51 0.097 -10.580 -5.542 1.00 53.14 H new ATOM 0 HG22 VAL A 51 -0.928 -10.829 -4.108 1.00 53.14 H new ATOM 0 HG23 VAL A 51 -1.665 -10.749 -5.726 1.00 53.14 H new ATOM 788 N ARG A 52 -2.997 -6.258 -5.171 1.00 51.01 N ATOM 789 CA ARG A 52 -3.283 -4.796 -5.165 1.00 54.21 C ATOM 790 C ARG A 52 -4.261 -4.391 -4.026 1.00 64.53 C ATOM 791 O ARG A 52 -4.028 -3.414 -3.297 1.00 42.21 O ATOM 792 CB ARG A 52 -3.854 -4.404 -6.561 1.00 12.43 C ATOM 793 CG ARG A 52 -4.548 -3.028 -6.649 1.00 13.21 C ATOM 794 CD ARG A 52 -4.971 -2.648 -8.082 1.00 12.31 C ATOM 795 NE ARG A 52 -5.725 -3.726 -8.750 1.00 1.24 N ATOM 796 CZ ARG A 52 -6.334 -3.621 -9.914 1.00 23.12 C ATOM 797 NH1 ARG A 52 -6.406 -2.487 -10.536 1.00 31.42 N ATOM 798 NH2 ARG A 52 -6.859 -4.669 -10.459 1.00 74.23 N ATOM 0 H ARG A 52 -3.167 -6.695 -6.077 1.00 51.01 H new ATOM 0 HA ARG A 52 -2.357 -4.255 -4.972 1.00 54.21 H new ATOM 0 HB2 ARG A 52 -3.038 -4.423 -7.283 1.00 12.43 H new ATOM 0 HB3 ARG A 52 -4.568 -5.169 -6.867 1.00 12.43 H new ATOM 0 HG2 ARG A 52 -5.429 -3.031 -6.007 1.00 13.21 H new ATOM 0 HG3 ARG A 52 -3.874 -2.264 -6.262 1.00 13.21 H new ATOM 0 HD2 ARG A 52 -5.582 -1.746 -8.050 1.00 12.31 H new ATOM 0 HD3 ARG A 52 -4.084 -2.411 -8.669 1.00 12.31 H new ATOM 0 HE ARG A 52 -5.779 -4.625 -8.272 1.00 1.24 H new ATOM 0 HH11 ARG A 52 -5.986 -1.653 -10.126 1.00 31.42 H new ATOM 0 HH12 ARG A 52 -6.882 -2.428 -11.436 1.00 31.42 H new ATOM 0 HH21 ARG A 52 -6.801 -5.572 -9.988 1.00 74.23 H new ATOM 0 HH22 ARG A 52 -7.331 -4.593 -11.360 1.00 74.23 H new ATOM 812 N ASP A 53 -5.342 -5.174 -3.881 1.00 74.12 N ATOM 813 CA ASP A 53 -6.358 -4.991 -2.818 1.00 61.15 C ATOM 814 C ASP A 53 -5.785 -5.303 -1.417 1.00 1.35 C ATOM 815 O ASP A 53 -6.144 -4.649 -0.432 1.00 40.11 O ATOM 816 CB ASP A 53 -7.577 -5.892 -3.111 1.00 1.34 C ATOM 817 CG ASP A 53 -8.284 -5.493 -4.410 1.00 62.03 C ATOM 818 OD1 ASP A 53 -7.833 -5.915 -5.501 1.00 4.22 O ATOM 819 OD2 ASP A 53 -9.281 -4.741 -4.348 1.00 20.22 O ATOM 0 H ASP A 53 -5.542 -5.959 -4.500 1.00 74.12 H new ATOM 0 HA ASP A 53 -6.665 -3.945 -2.817 1.00 61.15 H new ATOM 0 HB2 ASP A 53 -7.253 -6.930 -3.178 1.00 1.34 H new ATOM 0 HB3 ASP A 53 -8.281 -5.831 -2.281 1.00 1.34 H new ATOM 824 N PHE A 54 -4.887 -6.302 -1.349 1.00 62.04 N ATOM 825 CA PHE A 54 -4.202 -6.683 -0.098 1.00 70.43 C ATOM 826 C PHE A 54 -3.241 -5.555 0.390 1.00 3.23 C ATOM 827 O PHE A 54 -3.262 -5.188 1.564 1.00 63.03 O ATOM 828 CB PHE A 54 -3.443 -8.021 -0.289 1.00 33.15 C ATOM 829 CG PHE A 54 -2.704 -8.492 0.960 1.00 25.51 C ATOM 830 CD1 PHE A 54 -3.404 -8.805 2.122 1.00 1.32 C ATOM 831 CD2 PHE A 54 -1.314 -8.606 0.981 1.00 73.15 C ATOM 832 CE1 PHE A 54 -2.741 -9.214 3.258 1.00 32.10 C ATOM 833 CE2 PHE A 54 -0.655 -9.022 2.119 1.00 41.02 C ATOM 834 CZ PHE A 54 -1.369 -9.323 3.256 1.00 35.32 C ATOM 0 H PHE A 54 -4.616 -6.866 -2.154 1.00 62.04 H new ATOM 0 HA PHE A 54 -4.957 -6.822 0.676 1.00 70.43 H new ATOM 0 HB2 PHE A 54 -4.153 -8.791 -0.592 1.00 33.15 H new ATOM 0 HB3 PHE A 54 -2.727 -7.909 -1.103 1.00 33.15 H new ATOM 0 HD1 PHE A 54 -4.481 -8.726 2.133 1.00 1.32 H new ATOM 0 HD2 PHE A 54 -0.746 -8.365 0.094 1.00 73.15 H new ATOM 0 HE1 PHE A 54 -3.299 -9.450 4.152 1.00 32.10 H new ATOM 0 HE2 PHE A 54 0.421 -9.111 2.118 1.00 41.02 H new ATOM 0 HZ PHE A 54 -0.852 -9.645 4.148 1.00 35.32 H new ATOM 844 N VAL A 55 -2.433 -5.004 -0.540 1.00 21.22 N ATOM 845 CA VAL A 55 -1.495 -3.876 -0.273 1.00 41.13 C ATOM 846 C VAL A 55 -2.260 -2.643 0.268 1.00 73.55 C ATOM 847 O VAL A 55 -1.827 -1.984 1.223 1.00 74.53 O ATOM 848 CB VAL A 55 -0.695 -3.481 -1.581 1.00 54.01 C ATOM 849 CG1 VAL A 55 0.237 -2.269 -1.345 1.00 74.51 C ATOM 850 CG2 VAL A 55 0.113 -4.685 -2.127 1.00 30.40 C ATOM 0 H VAL A 55 -2.408 -5.327 -1.507 1.00 21.22 H new ATOM 0 HA VAL A 55 -0.783 -4.209 0.482 1.00 41.13 H new ATOM 0 HB VAL A 55 -1.433 -3.191 -2.328 1.00 54.01 H new ATOM 0 HG11 VAL A 55 0.766 -2.032 -2.268 1.00 74.51 H new ATOM 0 HG12 VAL A 55 -0.356 -1.409 -1.036 1.00 74.51 H new ATOM 0 HG13 VAL A 55 0.959 -2.511 -0.565 1.00 74.51 H new ATOM 0 HG21 VAL A 55 0.652 -4.384 -3.025 1.00 30.40 H new ATOM 0 HG22 VAL A 55 0.824 -5.018 -1.371 1.00 30.40 H new ATOM 0 HG23 VAL A 55 -0.568 -5.501 -2.369 1.00 30.40 H new ATOM 860 N ARG A 56 -3.424 -2.390 -0.350 1.00 34.14 N ATOM 861 CA ARG A 56 -4.345 -1.311 0.048 1.00 5.34 C ATOM 862 C ARG A 56 -4.924 -1.541 1.464 1.00 51.23 C ATOM 863 O ARG A 56 -5.018 -0.600 2.247 1.00 25.11 O ATOM 864 CB ARG A 56 -5.478 -1.184 -0.998 1.00 73.53 C ATOM 865 CG ARG A 56 -6.528 -0.090 -0.692 1.00 73.02 C ATOM 866 CD ARG A 56 -7.342 0.311 -1.932 1.00 31.12 C ATOM 867 NE ARG A 56 -7.976 -0.830 -2.611 1.00 32.41 N ATOM 868 CZ ARG A 56 -8.523 -0.785 -3.809 1.00 1.24 C ATOM 869 NH1 ARG A 56 -8.502 0.306 -4.514 1.00 34.04 N ATOM 870 NH2 ARG A 56 -9.076 -1.838 -4.308 1.00 70.22 N ATOM 0 H ARG A 56 -3.756 -2.933 -1.147 1.00 34.14 H new ATOM 0 HA ARG A 56 -3.783 -0.378 0.084 1.00 5.34 H new ATOM 0 HB2 ARG A 56 -5.033 -0.977 -1.971 1.00 73.53 H new ATOM 0 HB3 ARG A 56 -5.988 -2.144 -1.078 1.00 73.53 H new ATOM 0 HG2 ARG A 56 -7.206 -0.449 0.083 1.00 73.02 H new ATOM 0 HG3 ARG A 56 -6.024 0.790 -0.292 1.00 73.02 H new ATOM 0 HD2 ARG A 56 -8.113 1.022 -1.636 1.00 31.12 H new ATOM 0 HD3 ARG A 56 -6.688 0.825 -2.636 1.00 31.12 H new ATOM 0 HE ARG A 56 -7.993 -1.723 -2.118 1.00 32.41 H new ATOM 0 HH11 ARG A 56 -8.057 1.145 -4.142 1.00 34.04 H new ATOM 0 HH12 ARG A 56 -8.930 0.323 -5.440 1.00 34.04 H new ATOM 0 HH21 ARG A 56 -9.090 -2.708 -3.775 1.00 70.22 H new ATOM 0 HH22 ARG A 56 -9.499 -1.801 -5.235 1.00 70.22 H new ATOM 884 N ALA A 57 -5.290 -2.799 1.780 1.00 12.03 N ATOM 885 CA ALA A 57 -5.802 -3.180 3.121 1.00 32.42 C ATOM 886 C ALA A 57 -4.752 -2.912 4.231 1.00 20.14 C ATOM 887 O ALA A 57 -5.068 -2.323 5.273 1.00 71.03 O ATOM 888 CB ALA A 57 -6.238 -4.656 3.126 1.00 35.32 C ATOM 0 H ALA A 57 -5.242 -3.577 1.122 1.00 12.03 H new ATOM 0 HA ALA A 57 -6.670 -2.557 3.338 1.00 32.42 H new ATOM 0 HB1 ALA A 57 -6.611 -4.922 4.115 1.00 35.32 H new ATOM 0 HB2 ALA A 57 -7.027 -4.805 2.389 1.00 35.32 H new ATOM 0 HB3 ALA A 57 -5.385 -5.288 2.878 1.00 35.32 H new ATOM 894 N VAL A 58 -3.495 -3.325 3.978 1.00 14.41 N ATOM 895 CA VAL A 58 -2.359 -3.122 4.918 1.00 21.54 C ATOM 896 C VAL A 58 -2.022 -1.609 5.070 1.00 13.04 C ATOM 897 O VAL A 58 -1.598 -1.156 6.137 1.00 61.44 O ATOM 898 CB VAL A 58 -1.085 -3.933 4.451 1.00 70.22 C ATOM 899 CG1 VAL A 58 0.070 -3.856 5.487 1.00 62.44 C ATOM 900 CG2 VAL A 58 -1.454 -5.406 4.146 1.00 21.42 C ATOM 0 H VAL A 58 -3.232 -3.809 3.120 1.00 14.41 H new ATOM 0 HA VAL A 58 -2.664 -3.501 5.894 1.00 21.54 H new ATOM 0 HB VAL A 58 -0.725 -3.467 3.534 1.00 70.22 H new ATOM 0 HG11 VAL A 58 0.924 -4.428 5.123 1.00 62.44 H new ATOM 0 HG12 VAL A 58 0.363 -2.816 5.628 1.00 62.44 H new ATOM 0 HG13 VAL A 58 -0.266 -4.270 6.438 1.00 62.44 H new ATOM 0 HG21 VAL A 58 -0.563 -5.946 3.826 1.00 21.42 H new ATOM 0 HG22 VAL A 58 -1.859 -5.873 5.044 1.00 21.42 H new ATOM 0 HG23 VAL A 58 -2.201 -5.437 3.353 1.00 21.42 H new ATOM 910 N ALA A 59 -2.234 -0.839 3.990 1.00 32.12 N ATOM 911 CA ALA A 59 -2.077 0.636 3.999 1.00 43.32 C ATOM 912 C ALA A 59 -3.257 1.365 4.714 1.00 24.11 C ATOM 913 O ALA A 59 -3.069 2.442 5.289 1.00 3.41 O ATOM 914 CB ALA A 59 -1.912 1.145 2.562 1.00 0.33 C ATOM 0 H ALA A 59 -2.519 -1.214 3.085 1.00 32.12 H new ATOM 0 HA ALA A 59 -1.181 0.868 4.575 1.00 43.32 H new ATOM 0 HB1 ALA A 59 -1.797 2.229 2.571 1.00 0.33 H new ATOM 0 HB2 ALA A 59 -1.029 0.690 2.114 1.00 0.33 H new ATOM 0 HB3 ALA A 59 -2.793 0.879 1.978 1.00 0.33 H new ATOM 920 N LEU A 60 -4.465 0.758 4.674 1.00 14.13 N ATOM 921 CA LEU A 60 -5.685 1.299 5.341 1.00 12.22 C ATOM 922 C LEU A 60 -5.780 0.864 6.823 1.00 11.33 C ATOM 923 O LEU A 60 -6.688 1.304 7.533 1.00 64.50 O ATOM 924 CB LEU A 60 -6.971 0.841 4.579 1.00 42.30 C ATOM 925 CG LEU A 60 -7.255 1.540 3.212 1.00 3.54 C ATOM 926 CD1 LEU A 60 -8.455 0.885 2.488 1.00 55.34 C ATOM 927 CD2 LEU A 60 -7.472 3.062 3.402 1.00 64.21 C ATOM 0 H LEU A 60 -4.628 -0.120 4.181 1.00 14.13 H new ATOM 0 HA LEU A 60 -5.608 2.386 5.314 1.00 12.22 H new ATOM 0 HB2 LEU A 60 -6.901 -0.233 4.405 1.00 42.30 H new ATOM 0 HB3 LEU A 60 -7.830 1.003 5.230 1.00 42.30 H new ATOM 0 HG LEU A 60 -6.378 1.407 2.579 1.00 3.54 H new ATOM 0 HD11 LEU A 60 -8.629 1.393 1.539 1.00 55.34 H new ATOM 0 HD12 LEU A 60 -8.238 -0.167 2.302 1.00 55.34 H new ATOM 0 HD13 LEU A 60 -9.345 0.967 3.112 1.00 55.34 H new ATOM 0 HD21 LEU A 60 -7.668 3.525 2.435 1.00 64.21 H new ATOM 0 HD22 LEU A 60 -8.323 3.229 4.063 1.00 64.21 H new ATOM 0 HD23 LEU A 60 -6.578 3.505 3.842 1.00 64.21 H new ATOM 939 N SER A 61 -4.857 -0.008 7.279 1.00 41.54 N ATOM 940 CA SER A 61 -4.849 -0.490 8.685 1.00 43.33 C ATOM 941 C SER A 61 -4.434 0.626 9.667 1.00 73.30 C ATOM 942 O SER A 61 -3.679 1.534 9.301 1.00 15.02 O ATOM 943 CB SER A 61 -3.892 -1.697 8.876 1.00 63.24 C ATOM 944 OG SER A 61 -2.521 -1.308 8.907 1.00 5.15 O ATOM 0 H SER A 61 -4.110 -0.394 6.702 1.00 41.54 H new ATOM 0 HA SER A 61 -5.870 -0.803 8.902 1.00 43.33 H new ATOM 0 HB2 SER A 61 -4.141 -2.211 9.804 1.00 63.24 H new ATOM 0 HB3 SER A 61 -4.046 -2.410 8.066 1.00 63.24 H new ATOM 0 HG SER A 61 -2.177 -1.248 7.991 1.00 5.15 H new ATOM 950 N GLU A 62 -4.911 0.522 10.921 1.00 34.14 N ATOM 951 CA GLU A 62 -4.489 1.412 12.021 1.00 4.20 C ATOM 952 C GLU A 62 -2.993 1.209 12.336 1.00 4.05 C ATOM 953 O GLU A 62 -2.241 2.166 12.432 1.00 74.51 O ATOM 954 CB GLU A 62 -5.350 1.147 13.296 1.00 73.40 C ATOM 955 CG GLU A 62 -6.804 1.687 13.230 1.00 74.31 C ATOM 956 CD GLU A 62 -6.957 3.212 13.470 1.00 74.32 C ATOM 957 OE1 GLU A 62 -5.971 3.979 13.341 1.00 35.21 O ATOM 958 OE2 GLU A 62 -8.091 3.657 13.756 1.00 64.42 O ATOM 0 H GLU A 62 -5.598 -0.179 11.201 1.00 34.14 H new ATOM 0 HA GLU A 62 -4.641 2.444 11.706 1.00 4.20 H new ATOM 0 HB2 GLU A 62 -5.385 0.072 13.475 1.00 73.40 H new ATOM 0 HB3 GLU A 62 -4.850 1.597 14.154 1.00 73.40 H new ATOM 0 HG2 GLU A 62 -7.219 1.447 12.251 1.00 74.31 H new ATOM 0 HG3 GLU A 62 -7.405 1.158 13.970 1.00 74.31 H new ATOM 965 N LEU A 63 -2.581 -0.066 12.392 1.00 11.31 N ATOM 966 CA LEU A 63 -1.246 -0.492 12.880 1.00 1.32 C ATOM 967 C LEU A 63 -0.088 0.127 12.054 1.00 73.24 C ATOM 968 O LEU A 63 0.953 0.497 12.610 1.00 72.13 O ATOM 969 CB LEU A 63 -1.141 -2.048 12.895 1.00 10.23 C ATOM 970 CG LEU A 63 -2.075 -2.811 13.908 1.00 34.43 C ATOM 971 CD1 LEU A 63 -3.572 -2.753 13.518 1.00 54.22 C ATOM 972 CD2 LEU A 63 -1.617 -4.270 14.094 1.00 41.35 C ATOM 0 H LEU A 63 -3.168 -0.846 12.097 1.00 11.31 H new ATOM 0 HA LEU A 63 -1.143 -0.119 13.899 1.00 1.32 H new ATOM 0 HB2 LEU A 63 -1.358 -2.413 11.891 1.00 10.23 H new ATOM 0 HB3 LEU A 63 -0.108 -2.317 13.116 1.00 10.23 H new ATOM 0 HG LEU A 63 -1.981 -2.288 14.860 1.00 34.43 H new ATOM 0 HD11 LEU A 63 -4.162 -3.297 14.256 1.00 54.22 H new ATOM 0 HD12 LEU A 63 -3.900 -1.714 13.486 1.00 54.22 H new ATOM 0 HD13 LEU A 63 -3.710 -3.207 12.537 1.00 54.22 H new ATOM 0 HD21 LEU A 63 -2.280 -4.772 14.798 1.00 41.35 H new ATOM 0 HD22 LEU A 63 -1.648 -4.786 13.135 1.00 41.35 H new ATOM 0 HD23 LEU A 63 -0.598 -4.285 14.481 1.00 41.35 H new ATOM 984 N TYR A 64 -0.269 0.213 10.720 1.00 41.23 N ATOM 985 CA TYR A 64 0.674 0.938 9.839 1.00 41.21 C ATOM 986 C TYR A 64 0.553 2.474 10.014 1.00 52.00 C ATOM 987 O TYR A 64 1.556 3.155 10.282 1.00 14.20 O ATOM 988 CB TYR A 64 0.447 0.554 8.337 1.00 41.43 C ATOM 989 CG TYR A 64 1.059 1.544 7.313 1.00 32.31 C ATOM 990 CD1 TYR A 64 2.416 1.875 7.339 1.00 51.35 C ATOM 991 CD2 TYR A 64 0.265 2.186 6.351 1.00 60.11 C ATOM 992 CE1 TYR A 64 2.953 2.793 6.455 1.00 23.03 C ATOM 993 CE2 TYR A 64 0.804 3.106 5.464 1.00 53.21 C ATOM 994 CZ TYR A 64 2.148 3.403 5.522 1.00 14.01 C ATOM 995 OH TYR A 64 2.697 4.319 4.640 1.00 30.51 O ATOM 0 H TYR A 64 -1.057 -0.209 10.229 1.00 41.23 H new ATOM 0 HA TYR A 64 1.680 0.639 10.132 1.00 41.21 H new ATOM 0 HB2 TYR A 64 0.870 -0.435 8.162 1.00 41.43 H new ATOM 0 HB3 TYR A 64 -0.625 0.480 8.154 1.00 41.43 H new ATOM 0 HD1 TYR A 64 3.060 1.403 8.066 1.00 51.35 H new ATOM 0 HD2 TYR A 64 -0.790 1.959 6.300 1.00 60.11 H new ATOM 0 HE1 TYR A 64 4.006 3.031 6.498 1.00 23.03 H new ATOM 0 HE2 TYR A 64 0.173 3.587 4.731 1.00 53.21 H new ATOM 0 HH TYR A 64 1.999 4.931 4.327 1.00 30.51 H new ATOM 1005 N ARG A 65 -0.671 3.008 9.860 1.00 4.22 N ATOM 1006 CA ARG A 65 -0.863 4.461 9.660 1.00 14.14 C ATOM 1007 C ARG A 65 -0.550 5.264 10.940 1.00 74.32 C ATOM 1008 O ARG A 65 0.181 6.235 10.868 1.00 54.31 O ATOM 1009 CB ARG A 65 -2.285 4.786 9.108 1.00 43.11 C ATOM 1010 CG ARG A 65 -3.452 4.663 10.113 1.00 41.53 C ATOM 1011 CD ARG A 65 -4.818 4.817 9.427 1.00 14.22 C ATOM 1012 NE ARG A 65 -5.945 4.738 10.374 1.00 62.22 N ATOM 1013 CZ ARG A 65 -7.131 4.261 10.086 1.00 62.15 C ATOM 1014 NH1 ARG A 65 -7.318 3.494 9.061 1.00 73.21 N ATOM 1015 NH2 ARG A 65 -8.114 4.468 10.887 1.00 73.35 N ATOM 0 H ARG A 65 -1.535 2.466 9.869 1.00 4.22 H new ATOM 0 HA ARG A 65 -0.145 4.775 8.903 1.00 14.14 H new ATOM 0 HB2 ARG A 65 -2.276 5.803 8.716 1.00 43.11 H new ATOM 0 HB3 ARG A 65 -2.486 4.122 8.267 1.00 43.11 H new ATOM 0 HG2 ARG A 65 -3.403 3.694 10.610 1.00 41.53 H new ATOM 0 HG3 ARG A 65 -3.347 5.424 10.887 1.00 41.53 H new ATOM 0 HD2 ARG A 65 -4.853 5.775 8.907 1.00 14.22 H new ATOM 0 HD3 ARG A 65 -4.929 4.040 8.671 1.00 14.22 H new ATOM 0 HE ARG A 65 -5.790 5.080 11.323 1.00 62.22 H new ATOM 0 HH11 ARG A 65 -6.533 3.249 8.458 1.00 73.21 H new ATOM 0 HH12 ARG A 65 -8.250 3.134 8.856 1.00 73.21 H new ATOM 0 HH21 ARG A 65 -7.970 5.002 11.744 1.00 73.35 H new ATOM 0 HH22 ARG A 65 -9.039 4.098 10.666 1.00 73.35 H new ATOM 1029 N GLU A 66 -1.051 4.808 12.109 1.00 3.41 N ATOM 1030 CA GLU A 66 -0.884 5.511 13.408 1.00 44.42 C ATOM 1031 C GLU A 66 0.597 5.533 13.858 1.00 12.42 C ATOM 1032 O GLU A 66 1.027 6.457 14.547 1.00 12.03 O ATOM 1033 CB GLU A 66 -1.770 4.854 14.509 1.00 14.25 C ATOM 1034 CG GLU A 66 -1.274 3.492 15.042 1.00 20.01 C ATOM 1035 CD GLU A 66 -2.202 2.895 16.107 1.00 34.42 C ATOM 1036 OE1 GLU A 66 -3.293 2.411 15.749 1.00 34.20 O ATOM 1037 OE2 GLU A 66 -1.851 2.913 17.304 1.00 61.03 O ATOM 0 H GLU A 66 -1.584 3.941 12.183 1.00 3.41 H new ATOM 0 HA GLU A 66 -1.207 6.542 13.264 1.00 44.42 H new ATOM 0 HB2 GLU A 66 -1.847 5.546 15.348 1.00 14.25 H new ATOM 0 HB3 GLU A 66 -2.776 4.723 14.110 1.00 14.25 H new ATOM 0 HG2 GLU A 66 -1.186 2.792 14.211 1.00 20.01 H new ATOM 0 HG3 GLU A 66 -0.276 3.614 15.464 1.00 20.01 H new ATOM 1044 N LYS A 67 1.353 4.505 13.432 1.00 73.43 N ATOM 1045 CA LYS A 67 2.798 4.360 13.716 1.00 55.14 C ATOM 1046 C LYS A 67 3.614 5.548 13.140 1.00 21.54 C ATOM 1047 O LYS A 67 4.620 5.963 13.717 1.00 54.25 O ATOM 1048 CB LYS A 67 3.289 3.013 13.109 1.00 52.21 C ATOM 1049 CG LYS A 67 4.783 2.681 13.318 1.00 50.54 C ATOM 1050 CD LYS A 67 5.188 1.335 12.670 1.00 54.35 C ATOM 1051 CE LYS A 67 6.684 1.011 12.853 1.00 14.31 C ATOM 1052 NZ LYS A 67 7.052 0.892 14.290 1.00 73.25 N ATOM 0 H LYS A 67 0.975 3.740 12.873 1.00 73.43 H new ATOM 0 HA LYS A 67 2.951 4.362 14.795 1.00 55.14 H new ATOM 0 HB2 LYS A 67 2.695 2.206 13.537 1.00 52.21 H new ATOM 0 HB3 LYS A 67 3.086 3.024 12.038 1.00 52.21 H new ATOM 0 HG2 LYS A 67 5.392 3.481 12.897 1.00 50.54 H new ATOM 0 HG3 LYS A 67 4.998 2.645 14.386 1.00 50.54 H new ATOM 0 HD2 LYS A 67 4.591 0.533 13.105 1.00 54.35 H new ATOM 0 HD3 LYS A 67 4.955 1.364 11.606 1.00 54.35 H new ATOM 0 HE2 LYS A 67 6.920 0.079 12.339 1.00 14.31 H new ATOM 0 HE3 LYS A 67 7.285 1.792 12.387 1.00 14.31 H new ATOM 0 HZ1 LYS A 67 8.034 0.558 14.370 1.00 73.25 H new ATOM 0 HZ2 LYS A 67 6.963 1.821 14.749 1.00 73.25 H new ATOM 0 HZ3 LYS A 67 6.416 0.213 14.756 1.00 73.25 H new ATOM 1066 N PHE A 68 3.180 6.053 11.970 1.00 12.31 N ATOM 1067 CA PHE A 68 3.816 7.217 11.297 1.00 1.33 C ATOM 1068 C PHE A 68 2.920 8.490 11.263 1.00 63.22 C ATOM 1069 O PHE A 68 3.384 9.554 10.864 1.00 74.13 O ATOM 1070 CB PHE A 68 4.225 6.814 9.864 1.00 12.35 C ATOM 1071 CG PHE A 68 5.126 5.582 9.803 1.00 54.33 C ATOM 1072 CD1 PHE A 68 6.452 5.644 10.235 1.00 33.10 C ATOM 1073 CD2 PHE A 68 4.646 4.362 9.322 1.00 0.22 C ATOM 1074 CE1 PHE A 68 7.267 4.529 10.185 1.00 62.32 C ATOM 1075 CE2 PHE A 68 5.461 3.251 9.276 1.00 34.23 C ATOM 1076 CZ PHE A 68 6.770 3.334 9.706 1.00 33.04 C ATOM 0 H PHE A 68 2.382 5.672 11.461 1.00 12.31 H new ATOM 0 HA PHE A 68 4.692 7.485 11.888 1.00 1.33 H new ATOM 0 HB2 PHE A 68 3.325 6.624 9.279 1.00 12.35 H new ATOM 0 HB3 PHE A 68 4.739 7.652 9.394 1.00 12.35 H new ATOM 0 HD1 PHE A 68 6.846 6.576 10.613 1.00 33.10 H new ATOM 0 HD2 PHE A 68 3.624 4.288 8.982 1.00 0.22 H new ATOM 0 HE1 PHE A 68 8.292 4.593 10.520 1.00 62.32 H new ATOM 0 HE2 PHE A 68 5.075 2.314 8.903 1.00 34.23 H new ATOM 0 HZ PHE A 68 7.406 2.462 9.668 1.00 33.04 H new ATOM 1086 N PHE A 69 1.639 8.382 11.645 1.00 40.44 N ATOM 1087 CA PHE A 69 0.709 9.545 11.667 1.00 30.01 C ATOM 1088 C PHE A 69 0.771 10.275 13.030 1.00 54.01 C ATOM 1089 O PHE A 69 0.826 11.506 13.091 1.00 50.43 O ATOM 1090 CB PHE A 69 -0.744 9.106 11.349 1.00 33.34 C ATOM 1091 CG PHE A 69 -1.750 10.258 11.304 1.00 43.32 C ATOM 1092 CD1 PHE A 69 -1.597 11.299 10.384 1.00 44.45 C ATOM 1093 CD2 PHE A 69 -2.833 10.314 12.187 1.00 65.33 C ATOM 1094 CE1 PHE A 69 -2.490 12.355 10.351 1.00 51.34 C ATOM 1095 CE2 PHE A 69 -3.725 11.370 12.149 1.00 10.24 C ATOM 1096 CZ PHE A 69 -3.552 12.390 11.234 1.00 2.32 C ATOM 0 H PHE A 69 1.213 7.505 11.945 1.00 40.44 H new ATOM 0 HA PHE A 69 1.029 10.240 10.891 1.00 30.01 H new ATOM 0 HB2 PHE A 69 -0.754 8.591 10.388 1.00 33.34 H new ATOM 0 HB3 PHE A 69 -1.067 8.385 12.100 1.00 33.34 H new ATOM 0 HD1 PHE A 69 -0.770 11.279 9.689 1.00 44.45 H new ATOM 0 HD2 PHE A 69 -2.975 9.522 12.908 1.00 65.33 H new ATOM 0 HE1 PHE A 69 -2.357 13.152 9.635 1.00 51.34 H new ATOM 0 HE2 PHE A 69 -4.558 11.397 12.836 1.00 10.24 H new ATOM 0 HZ PHE A 69 -4.248 13.216 11.209 1.00 2.32 H new ATOM 1106 N HIS A 70 0.759 9.485 14.117 1.00 23.41 N ATOM 1107 CA HIS A 70 0.828 10.011 15.505 1.00 62.03 C ATOM 1108 C HIS A 70 2.272 10.415 15.887 1.00 64.22 C ATOM 1109 O HIS A 70 2.486 11.215 16.797 1.00 12.41 O ATOM 1110 CB HIS A 70 0.314 8.934 16.500 1.00 21.20 C ATOM 1111 CG HIS A 70 -1.113 8.471 16.289 1.00 32.43 C ATOM 1112 ND1 HIS A 70 -1.908 8.865 15.228 1.00 61.20 N ATOM 1113 CD2 HIS A 70 -1.870 7.608 17.012 1.00 50.11 C ATOM 1114 CE1 HIS A 70 -3.077 8.261 15.304 1.00 71.21 C ATOM 1115 NE2 HIS A 70 -3.080 7.496 16.374 1.00 32.12 N ATOM 0 H HIS A 70 0.702 8.468 14.067 1.00 23.41 H new ATOM 0 HA HIS A 70 0.199 10.900 15.558 1.00 62.03 H new ATOM 0 HB2 HIS A 70 0.971 8.066 16.438 1.00 21.20 H new ATOM 0 HB3 HIS A 70 0.402 9.329 17.512 1.00 21.20 H new ATOM 0 HD2 HIS A 70 -1.575 7.103 17.920 1.00 50.11 H new ATOM 0 HE1 HIS A 70 -3.894 8.375 14.606 1.00 71.21 H new ATOM 0 HE2 HIS A 70 -3.858 6.912 16.681 1.00 32.12 H new ATOM 1124 N ASN A 71 3.250 9.854 15.158 1.00 61.11 N ATOM 1125 CA ASN A 71 4.684 9.910 15.509 1.00 20.34 C ATOM 1126 C ASN A 71 5.498 10.812 14.539 1.00 73.55 C ATOM 1127 O ASN A 71 6.483 11.435 14.941 1.00 71.22 O ATOM 1128 CB ASN A 71 5.209 8.454 15.505 1.00 24.01 C ATOM 1129 CG ASN A 71 6.671 8.284 15.908 1.00 73.14 C ATOM 1130 OD1 ASN A 71 7.218 9.056 16.692 1.00 53.44 O ATOM 1131 ND2 ASN A 71 7.299 7.251 15.392 1.00 13.42 N ATOM 0 H ASN A 71 3.068 9.341 14.296 1.00 61.11 H new ATOM 0 HA ASN A 71 4.807 10.364 16.493 1.00 20.34 H new ATOM 0 HB2 ASN A 71 4.592 7.862 16.181 1.00 24.01 H new ATOM 0 HB3 ASN A 71 5.075 8.040 14.506 1.00 24.01 H new ATOM 0 HD21 ASN A 71 8.272 7.070 15.640 1.00 13.42 H new ATOM 0 HD22 ASN A 71 6.814 6.631 14.744 1.00 13.42 H new ATOM 1138 N ASN A 72 5.052 10.908 13.272 1.00 12.10 N ATOM 1139 CA ASN A 72 5.751 11.681 12.206 1.00 2.23 C ATOM 1140 C ASN A 72 4.771 12.726 11.634 1.00 4.34 C ATOM 1141 O ASN A 72 3.551 12.550 11.728 1.00 74.30 O ATOM 1142 CB ASN A 72 6.244 10.767 11.034 1.00 20.02 C ATOM 1143 CG ASN A 72 7.216 9.645 11.426 1.00 43.13 C ATOM 1144 OD1 ASN A 72 7.181 9.109 12.526 1.00 62.00 O ATOM 1145 ND2 ASN A 72 8.089 9.266 10.515 1.00 74.22 N ATOM 0 H ASN A 72 4.197 10.455 12.950 1.00 12.10 H new ATOM 0 HA ASN A 72 6.626 12.152 12.654 1.00 2.23 H new ATOM 0 HB2 ASN A 72 5.373 10.317 10.558 1.00 20.02 H new ATOM 0 HB3 ASN A 72 6.727 11.396 10.286 1.00 20.02 H new ATOM 0 HD21 ASN A 72 8.749 8.516 10.722 1.00 74.22 H new ATOM 0 HD22 ASN A 72 8.105 9.723 9.603 1.00 74.22 H new ATOM 1152 N ALA A 73 5.311 13.809 11.042 1.00 61.20 N ATOM 1153 CA ALA A 73 4.489 14.865 10.405 1.00 71.24 C ATOM 1154 C ALA A 73 3.774 14.318 9.146 1.00 10.41 C ATOM 1155 O ALA A 73 4.355 13.523 8.407 1.00 30.20 O ATOM 1156 CB ALA A 73 5.357 16.084 10.049 1.00 21.43 C ATOM 0 H ALA A 73 6.315 13.979 10.990 1.00 61.20 H new ATOM 0 HA ALA A 73 3.728 15.182 11.118 1.00 71.24 H new ATOM 0 HB1 ALA A 73 4.736 16.849 9.582 1.00 21.43 H new ATOM 0 HB2 ALA A 73 5.808 16.487 10.956 1.00 21.43 H new ATOM 0 HB3 ALA A 73 6.142 15.782 9.356 1.00 21.43 H new ATOM 1162 N HIS A 74 2.500 14.724 8.949 1.00 73.02 N ATOM 1163 CA HIS A 74 1.635 14.237 7.842 1.00 53.42 C ATOM 1164 C HIS A 74 2.325 14.305 6.439 1.00 62.23 C ATOM 1165 O HIS A 74 2.138 13.403 5.621 1.00 71.25 O ATOM 1166 CB HIS A 74 0.303 15.030 7.840 1.00 30.33 C ATOM 1167 CG HIS A 74 -0.684 14.609 6.771 1.00 11.03 C ATOM 1168 ND1 HIS A 74 -1.265 15.527 5.931 1.00 54.10 N ATOM 1169 CD2 HIS A 74 -1.147 13.370 6.447 1.00 21.35 C ATOM 1170 CE1 HIS A 74 -2.053 14.842 5.130 1.00 75.52 C ATOM 1171 NE2 HIS A 74 -2.015 13.532 5.401 1.00 61.24 N ATOM 0 H HIS A 74 2.037 15.402 9.554 1.00 73.02 H new ATOM 0 HA HIS A 74 1.439 13.181 8.025 1.00 53.42 H new ATOM 0 HB2 HIS A 74 -0.171 14.920 8.816 1.00 30.33 H new ATOM 0 HB3 HIS A 74 0.527 16.089 7.712 1.00 30.33 H new ATOM 0 HD2 HIS A 74 -0.880 12.438 6.924 1.00 21.35 H new ATOM 0 HE1 HIS A 74 -2.656 15.283 4.350 1.00 75.52 H new ATOM 0 HE2 HIS A 74 -2.533 12.796 4.921 1.00 61.24 H new ATOM 1179 N ASN A 75 3.131 15.356 6.189 1.00 51.14 N ATOM 1180 CA ASN A 75 3.940 15.483 4.943 1.00 44.13 C ATOM 1181 C ASN A 75 4.936 14.305 4.780 1.00 44.41 C ATOM 1182 O ASN A 75 5.023 13.712 3.700 1.00 33.44 O ATOM 1183 CB ASN A 75 4.699 16.837 4.913 1.00 32.13 C ATOM 1184 CG ASN A 75 3.787 18.033 4.646 1.00 21.43 C ATOM 1185 OD1 ASN A 75 2.609 18.029 4.989 1.00 4.10 O ATOM 1186 ND2 ASN A 75 4.325 19.063 4.026 1.00 72.14 N ATOM 0 H ASN A 75 3.245 16.138 6.834 1.00 51.14 H new ATOM 0 HA ASN A 75 3.246 15.450 4.103 1.00 44.13 H new ATOM 0 HB2 ASN A 75 5.208 16.982 5.866 1.00 32.13 H new ATOM 0 HB3 ASN A 75 5.470 16.797 4.143 1.00 32.13 H new ATOM 0 HD21 ASN A 75 3.759 19.886 3.819 1.00 72.14 H new ATOM 0 HD22 ASN A 75 5.307 19.038 3.753 1.00 72.14 H new ATOM 1193 N ARG A 76 5.656 13.968 5.874 1.00 13.12 N ATOM 1194 CA ARG A 76 6.581 12.806 5.920 1.00 31.04 C ATOM 1195 C ARG A 76 5.815 11.487 5.658 1.00 15.11 C ATOM 1196 O ARG A 76 6.298 10.611 4.940 1.00 10.14 O ATOM 1197 CB ARG A 76 7.295 12.713 7.304 1.00 43.33 C ATOM 1198 CG ARG A 76 8.445 11.676 7.374 1.00 21.50 C ATOM 1199 CD ARG A 76 9.683 12.129 6.575 1.00 14.25 C ATOM 1200 NE ARG A 76 10.293 13.345 7.161 1.00 35.34 N ATOM 1201 CZ ARG A 76 10.777 14.373 6.496 1.00 40.33 C ATOM 1202 NH1 ARG A 76 10.762 14.415 5.207 1.00 75.02 N ATOM 1203 NH2 ARG A 76 11.272 15.369 7.140 1.00 43.31 N ATOM 0 H ARG A 76 5.614 14.490 6.749 1.00 13.12 H new ATOM 0 HA ARG A 76 7.329 12.953 5.141 1.00 31.04 H new ATOM 0 HB2 ARG A 76 7.694 13.695 7.558 1.00 43.33 H new ATOM 0 HB3 ARG A 76 6.554 12.464 8.063 1.00 43.33 H new ATOM 0 HG2 ARG A 76 8.725 11.515 8.415 1.00 21.50 H new ATOM 0 HG3 ARG A 76 8.094 10.719 6.987 1.00 21.50 H new ATOM 0 HD2 ARG A 76 10.419 11.325 6.555 1.00 14.25 H new ATOM 0 HD3 ARG A 76 9.398 12.326 5.541 1.00 14.25 H new ATOM 0 HE ARG A 76 10.343 13.390 8.179 1.00 35.34 H new ATOM 0 HH11 ARG A 76 10.368 13.638 4.676 1.00 75.02 H new ATOM 0 HH12 ARG A 76 11.144 15.225 4.719 1.00 75.02 H new ATOM 0 HH21 ARG A 76 11.288 15.360 8.160 1.00 43.31 H new ATOM 0 HH22 ARG A 76 11.649 16.169 6.631 1.00 43.31 H new ATOM 1217 N PHE A 77 4.605 11.381 6.245 1.00 12.42 N ATOM 1218 CA PHE A 77 3.723 10.200 6.092 1.00 60.21 C ATOM 1219 C PHE A 77 3.268 10.003 4.618 1.00 74.53 C ATOM 1220 O PHE A 77 3.158 8.870 4.148 1.00 22.33 O ATOM 1221 CB PHE A 77 2.497 10.321 7.040 1.00 25.31 C ATOM 1222 CG PHE A 77 1.502 9.158 6.950 1.00 61.43 C ATOM 1223 CD1 PHE A 77 1.895 7.861 7.285 1.00 43.31 C ATOM 1224 CD2 PHE A 77 0.188 9.356 6.517 1.00 71.13 C ATOM 1225 CE1 PHE A 77 1.010 6.805 7.196 1.00 32.42 C ATOM 1226 CE2 PHE A 77 -0.698 8.295 6.428 1.00 71.12 C ATOM 1227 CZ PHE A 77 -0.284 7.020 6.767 1.00 4.31 C ATOM 0 H PHE A 77 4.210 12.110 6.839 1.00 12.42 H new ATOM 0 HA PHE A 77 4.297 9.316 6.369 1.00 60.21 H new ATOM 0 HB2 PHE A 77 2.855 10.397 8.067 1.00 25.31 H new ATOM 0 HB3 PHE A 77 1.972 11.249 6.816 1.00 25.31 H new ATOM 0 HD1 PHE A 77 2.906 7.681 7.619 1.00 43.31 H new ATOM 0 HD2 PHE A 77 -0.141 10.349 6.248 1.00 71.13 H new ATOM 0 HE1 PHE A 77 1.331 5.809 7.463 1.00 32.42 H new ATOM 0 HE2 PHE A 77 -1.711 8.463 6.094 1.00 71.12 H new ATOM 0 HZ PHE A 77 -0.974 6.192 6.696 1.00 4.31 H new ATOM 1237 N ILE A 78 3.009 11.115 3.905 1.00 41.11 N ATOM 1238 CA ILE A 78 2.676 11.093 2.454 1.00 21.03 C ATOM 1239 C ILE A 78 3.893 10.612 1.612 1.00 23.13 C ATOM 1240 O ILE A 78 3.729 9.841 0.653 1.00 5.14 O ATOM 1241 CB ILE A 78 2.183 12.513 1.968 1.00 74.31 C ATOM 1242 CG1 ILE A 78 0.866 12.920 2.712 1.00 52.40 C ATOM 1243 CG2 ILE A 78 1.990 12.576 0.427 1.00 31.42 C ATOM 1244 CD1 ILE A 78 0.371 14.330 2.420 1.00 64.34 C ATOM 0 H ILE A 78 3.022 12.052 4.308 1.00 41.11 H new ATOM 0 HA ILE A 78 1.862 10.383 2.306 1.00 21.03 H new ATOM 0 HB ILE A 78 2.965 13.230 2.218 1.00 74.31 H new ATOM 0 HG12 ILE A 78 0.081 12.213 2.443 1.00 52.40 H new ATOM 0 HG13 ILE A 78 1.028 12.823 3.785 1.00 52.40 H new ATOM 0 HG21 ILE A 78 1.651 13.572 0.143 1.00 31.42 H new ATOM 0 HG22 ILE A 78 2.937 12.361 -0.067 1.00 31.42 H new ATOM 0 HG23 ILE A 78 1.247 11.839 0.123 1.00 31.42 H new ATOM 0 HD11 ILE A 78 -0.545 14.518 2.981 1.00 64.34 H new ATOM 0 HD12 ILE A 78 1.132 15.052 2.717 1.00 64.34 H new ATOM 0 HD13 ILE A 78 0.171 14.432 1.353 1.00 64.34 H new ATOM 1256 N GLU A 79 5.109 11.048 2.005 1.00 50.25 N ATOM 1257 CA GLU A 79 6.376 10.580 1.382 1.00 31.21 C ATOM 1258 C GLU A 79 6.551 9.058 1.554 1.00 4.33 C ATOM 1259 O GLU A 79 7.004 8.350 0.641 1.00 63.32 O ATOM 1260 CB GLU A 79 7.607 11.296 1.997 1.00 2.52 C ATOM 1261 CG GLU A 79 7.548 12.839 1.971 1.00 41.54 C ATOM 1262 CD GLU A 79 8.865 13.533 2.359 1.00 54.04 C ATOM 1263 OE1 GLU A 79 9.705 12.919 3.051 1.00 43.23 O ATOM 1264 OE2 GLU A 79 9.071 14.698 1.961 1.00 23.23 O ATOM 0 H GLU A 79 5.245 11.727 2.754 1.00 50.25 H new ATOM 0 HA GLU A 79 6.313 10.822 0.321 1.00 31.21 H new ATOM 0 HB2 GLU A 79 7.719 10.970 3.031 1.00 2.52 H new ATOM 0 HB3 GLU A 79 8.500 10.973 1.462 1.00 2.52 H new ATOM 0 HG2 GLU A 79 7.262 13.163 0.970 1.00 41.54 H new ATOM 0 HG3 GLU A 79 6.763 13.172 2.650 1.00 41.54 H new ATOM 1271 N LEU A 80 6.185 8.583 2.754 1.00 60.30 N ATOM 1272 CA LEU A 80 6.171 7.162 3.100 1.00 64.42 C ATOM 1273 C LEU A 80 5.161 6.393 2.222 1.00 52.02 C ATOM 1274 O LEU A 80 5.501 5.359 1.672 1.00 35.14 O ATOM 1275 CB LEU A 80 5.875 6.983 4.609 1.00 61.13 C ATOM 1276 CG LEU A 80 6.979 7.537 5.568 1.00 1.33 C ATOM 1277 CD1 LEU A 80 6.527 7.493 7.037 1.00 33.13 C ATOM 1278 CD2 LEU A 80 8.321 6.795 5.367 1.00 52.34 C ATOM 0 H LEU A 80 5.887 9.188 3.519 1.00 60.30 H new ATOM 0 HA LEU A 80 7.156 6.740 2.900 1.00 64.42 H new ATOM 0 HB2 LEU A 80 4.932 7.478 4.840 1.00 61.13 H new ATOM 0 HB3 LEU A 80 5.736 5.921 4.814 1.00 61.13 H new ATOM 0 HG LEU A 80 7.139 8.584 5.311 1.00 1.33 H new ATOM 0 HD11 LEU A 80 7.320 7.886 7.674 1.00 33.13 H new ATOM 0 HD12 LEU A 80 5.629 8.099 7.160 1.00 33.13 H new ATOM 0 HD13 LEU A 80 6.311 6.463 7.320 1.00 33.13 H new ATOM 0 HD21 LEU A 80 9.068 7.203 6.048 1.00 52.34 H new ATOM 0 HD22 LEU A 80 8.184 5.733 5.573 1.00 52.34 H new ATOM 0 HD23 LEU A 80 8.658 6.925 4.339 1.00 52.34 H new ATOM 1290 N ASN A 81 3.945 6.946 2.047 1.00 4.41 N ATOM 1291 CA ASN A 81 2.897 6.342 1.178 1.00 31.22 C ATOM 1292 C ASN A 81 3.389 6.167 -0.290 1.00 21.03 C ATOM 1293 O ASN A 81 3.016 5.207 -0.962 1.00 73.03 O ATOM 1294 CB ASN A 81 1.605 7.198 1.201 1.00 54.44 C ATOM 1295 CG ASN A 81 0.939 7.296 2.579 1.00 42.05 C ATOM 1296 OD1 ASN A 81 1.032 6.394 3.401 1.00 24.42 O ATOM 1297 ND2 ASN A 81 0.248 8.395 2.836 1.00 73.42 N ATOM 0 H ASN A 81 3.656 7.815 2.496 1.00 4.41 H new ATOM 0 HA ASN A 81 2.679 5.353 1.580 1.00 31.22 H new ATOM 0 HB2 ASN A 81 1.843 8.203 0.853 1.00 54.44 H new ATOM 0 HB3 ASN A 81 0.891 6.776 0.494 1.00 54.44 H new ATOM 0 HD21 ASN A 81 -0.221 8.504 3.735 1.00 73.42 H new ATOM 0 HD22 ASN A 81 0.185 9.133 2.135 1.00 73.42 H new ATOM 1304 N PHE A 82 4.233 7.100 -0.776 1.00 45.34 N ATOM 1305 CA PHE A 82 4.848 7.000 -2.124 1.00 33.40 C ATOM 1306 C PHE A 82 5.890 5.857 -2.225 1.00 51.33 C ATOM 1307 O PHE A 82 5.838 5.062 -3.158 1.00 22.14 O ATOM 1308 CB PHE A 82 5.486 8.345 -2.556 1.00 62.34 C ATOM 1309 CG PHE A 82 4.477 9.386 -3.034 1.00 51.11 C ATOM 1310 CD1 PHE A 82 3.675 9.130 -4.145 1.00 13.33 C ATOM 1311 CD2 PHE A 82 4.341 10.613 -2.398 1.00 2.51 C ATOM 1312 CE1 PHE A 82 2.773 10.069 -4.596 1.00 25.02 C ATOM 1313 CE2 PHE A 82 3.443 11.555 -2.856 1.00 60.21 C ATOM 1314 CZ PHE A 82 2.659 11.279 -3.953 1.00 55.41 C ATOM 0 H PHE A 82 4.507 7.934 -0.257 1.00 45.34 H new ATOM 0 HA PHE A 82 4.035 6.760 -2.809 1.00 33.40 H new ATOM 0 HB2 PHE A 82 6.046 8.756 -1.716 1.00 62.34 H new ATOM 0 HB3 PHE A 82 6.203 8.155 -3.355 1.00 62.34 H new ATOM 0 HD1 PHE A 82 3.762 8.184 -4.659 1.00 13.33 H new ATOM 0 HD2 PHE A 82 4.947 10.833 -1.532 1.00 2.51 H new ATOM 0 HE1 PHE A 82 2.155 9.854 -5.455 1.00 25.02 H new ATOM 0 HE2 PHE A 82 3.355 12.507 -2.354 1.00 60.21 H new ATOM 0 HZ PHE A 82 1.953 12.014 -4.309 1.00 55.41 H new ATOM 1324 N LYS A 83 6.847 5.793 -1.281 1.00 23.05 N ATOM 1325 CA LYS A 83 7.924 4.753 -1.302 1.00 35.54 C ATOM 1326 C LYS A 83 7.414 3.343 -0.911 1.00 53.33 C ATOM 1327 O LYS A 83 8.021 2.330 -1.275 1.00 62.30 O ATOM 1328 CB LYS A 83 9.119 5.189 -0.418 1.00 44.33 C ATOM 1329 CG LYS A 83 8.791 5.384 1.075 1.00 14.11 C ATOM 1330 CD LYS A 83 9.940 6.055 1.859 1.00 51.41 C ATOM 1331 CE LYS A 83 10.243 7.485 1.362 1.00 12.20 C ATOM 1332 NZ LYS A 83 11.339 8.121 2.132 1.00 21.44 N ATOM 0 H LYS A 83 6.907 6.439 -0.494 1.00 23.05 H new ATOM 0 HA LYS A 83 8.265 4.672 -2.334 1.00 35.54 H new ATOM 0 HB2 LYS A 83 9.908 4.442 -0.506 1.00 44.33 H new ATOM 0 HB3 LYS A 83 9.520 6.123 -0.811 1.00 44.33 H new ATOM 0 HG2 LYS A 83 7.891 5.992 1.168 1.00 14.11 H new ATOM 0 HG3 LYS A 83 8.569 4.415 1.523 1.00 14.11 H new ATOM 0 HD2 LYS A 83 9.681 6.090 2.917 1.00 51.41 H new ATOM 0 HD3 LYS A 83 10.839 5.446 1.771 1.00 51.41 H new ATOM 0 HE2 LYS A 83 10.513 7.452 0.307 1.00 12.20 H new ATOM 0 HE3 LYS A 83 9.343 8.095 1.442 1.00 12.20 H new ATOM 0 HZ1 LYS A 83 11.510 9.079 1.766 1.00 21.44 H new ATOM 0 HZ2 LYS A 83 11.071 8.176 3.135 1.00 21.44 H new ATOM 0 HZ3 LYS A 83 12.205 7.554 2.036 1.00 21.44 H new ATOM 1346 N HIS A 84 6.325 3.299 -0.139 1.00 74.53 N ATOM 1347 CA HIS A 84 5.690 2.040 0.300 1.00 52.33 C ATOM 1348 C HIS A 84 4.721 1.459 -0.769 1.00 13.33 C ATOM 1349 O HIS A 84 4.732 0.261 -1.040 1.00 33.25 O ATOM 1350 CB HIS A 84 4.964 2.262 1.651 1.00 63.11 C ATOM 1351 CG HIS A 84 5.882 2.642 2.803 1.00 55.33 C ATOM 1352 ND1 HIS A 84 5.425 3.234 3.961 1.00 64.22 N ATOM 1353 CD2 HIS A 84 7.217 2.466 2.993 1.00 12.24 C ATOM 1354 CE1 HIS A 84 6.423 3.402 4.801 1.00 61.23 C ATOM 1355 NE2 HIS A 84 7.522 2.945 4.243 1.00 13.34 N ATOM 0 H HIS A 84 5.852 4.135 0.204 1.00 74.53 H new ATOM 0 HA HIS A 84 6.478 1.299 0.434 1.00 52.33 H new ATOM 0 HB2 HIS A 84 4.217 3.046 1.524 1.00 63.11 H new ATOM 0 HB3 HIS A 84 4.428 1.351 1.915 1.00 63.11 H new ATOM 0 HD1 HIS A 84 4.457 3.502 4.140 1.00 64.22 H new ATOM 0 HD2 HIS A 84 7.910 2.029 2.289 1.00 12.24 H new ATOM 0 HE1 HIS A 84 6.352 3.842 5.785 1.00 61.23 H new ATOM 1364 N LEU A 85 3.876 2.317 -1.375 1.00 54.13 N ATOM 1365 CA LEU A 85 2.816 1.847 -2.311 1.00 1.43 C ATOM 1366 C LEU A 85 3.243 1.942 -3.803 1.00 14.43 C ATOM 1367 O LEU A 85 2.771 1.159 -4.622 1.00 41.33 O ATOM 1368 CB LEU A 85 1.500 2.642 -2.050 1.00 13.52 C ATOM 1369 CG LEU A 85 0.970 2.606 -0.570 1.00 74.03 C ATOM 1370 CD1 LEU A 85 -0.313 3.455 -0.395 1.00 22.45 C ATOM 1371 CD2 LEU A 85 0.754 1.156 -0.088 1.00 51.33 C ATOM 0 H LEU A 85 3.900 3.328 -1.240 1.00 54.13 H new ATOM 0 HA LEU A 85 2.646 0.788 -2.115 1.00 1.43 H new ATOM 0 HB2 LEU A 85 1.662 3.682 -2.334 1.00 13.52 H new ATOM 0 HB3 LEU A 85 0.723 2.249 -2.706 1.00 13.52 H new ATOM 0 HG LEU A 85 1.739 3.055 0.058 1.00 74.03 H new ATOM 0 HD11 LEU A 85 -0.645 3.403 0.642 1.00 22.45 H new ATOM 0 HD12 LEU A 85 -0.102 4.492 -0.656 1.00 22.45 H new ATOM 0 HD13 LEU A 85 -1.096 3.069 -1.047 1.00 22.45 H new ATOM 0 HD21 LEU A 85 0.387 1.165 0.938 1.00 51.33 H new ATOM 0 HD22 LEU A 85 0.023 0.664 -0.730 1.00 51.33 H new ATOM 0 HD23 LEU A 85 1.698 0.614 -0.131 1.00 51.33 H new ATOM 1383 N LEU A 86 4.144 2.892 -4.155 1.00 4.13 N ATOM 1384 CA LEU A 86 4.646 3.057 -5.564 1.00 34.34 C ATOM 1385 C LEU A 86 6.185 2.876 -5.663 1.00 20.43 C ATOM 1386 O LEU A 86 6.719 2.717 -6.766 1.00 51.14 O ATOM 1387 CB LEU A 86 4.260 4.446 -6.167 1.00 22.31 C ATOM 1388 CG LEU A 86 2.742 4.844 -6.124 1.00 75.53 C ATOM 1389 CD1 LEU A 86 2.354 5.443 -4.758 1.00 53.03 C ATOM 1390 CD2 LEU A 86 2.361 5.799 -7.285 1.00 43.04 C ATOM 0 H LEU A 86 4.543 3.558 -3.494 1.00 4.13 H new ATOM 0 HA LEU A 86 4.159 2.271 -6.141 1.00 34.34 H new ATOM 0 HB2 LEU A 86 4.827 5.214 -5.640 1.00 22.31 H new ATOM 0 HB3 LEU A 86 4.586 4.467 -7.207 1.00 22.31 H new ATOM 0 HG LEU A 86 2.169 3.927 -6.259 1.00 75.53 H new ATOM 0 HD11 LEU A 86 1.297 5.707 -4.764 1.00 53.03 H new ATOM 0 HD12 LEU A 86 2.541 4.710 -3.973 1.00 53.03 H new ATOM 0 HD13 LEU A 86 2.950 6.336 -4.570 1.00 53.03 H new ATOM 0 HD21 LEU A 86 1.302 6.049 -7.218 1.00 43.04 H new ATOM 0 HD22 LEU A 86 2.955 6.711 -7.216 1.00 43.04 H new ATOM 0 HD23 LEU A 86 2.558 5.309 -8.239 1.00 43.04 H new ATOM 1402 N GLY A 87 6.885 2.942 -4.516 1.00 71.35 N ATOM 1403 CA GLY A 87 8.347 2.779 -4.458 1.00 42.41 C ATOM 1404 C GLY A 87 9.171 3.984 -4.962 1.00 3.35 C ATOM 1405 O GLY A 87 10.204 3.786 -5.608 1.00 62.21 O ATOM 0 H GLY A 87 6.454 3.109 -3.607 1.00 71.35 H new ATOM 0 HA2 GLY A 87 8.631 2.573 -3.426 1.00 42.41 H new ATOM 0 HA3 GLY A 87 8.621 1.903 -5.045 1.00 42.41 H new ATOM 1409 N ARG A 88 8.745 5.233 -4.650 1.00 71.15 N ATOM 1410 CA ARG A 88 9.504 6.461 -5.059 1.00 63.13 C ATOM 1411 C ARG A 88 9.569 7.542 -3.939 1.00 24.12 C ATOM 1412 O ARG A 88 9.009 7.383 -2.856 1.00 72.25 O ATOM 1413 CB ARG A 88 8.896 7.100 -6.347 1.00 51.31 C ATOM 1414 CG ARG A 88 7.580 7.916 -6.146 1.00 5.34 C ATOM 1415 CD ARG A 88 7.302 8.870 -7.324 1.00 42.55 C ATOM 1416 NE ARG A 88 6.120 9.728 -7.096 1.00 2.40 N ATOM 1417 CZ ARG A 88 4.956 9.574 -7.676 1.00 13.41 C ATOM 1418 NH1 ARG A 88 4.721 8.567 -8.432 1.00 54.53 N ATOM 1419 NH2 ARG A 88 4.017 10.422 -7.471 1.00 41.53 N ATOM 0 H ARG A 88 7.893 5.425 -4.124 1.00 71.15 H new ATOM 0 HA ARG A 88 10.521 6.122 -5.257 1.00 63.13 H new ATOM 0 HB2 ARG A 88 9.644 7.757 -6.791 1.00 51.31 H new ATOM 0 HB3 ARG A 88 8.702 6.305 -7.067 1.00 51.31 H new ATOM 0 HG2 ARG A 88 6.742 7.229 -6.032 1.00 5.34 H new ATOM 0 HG3 ARG A 88 7.649 8.491 -5.223 1.00 5.34 H new ATOM 0 HD2 ARG A 88 8.176 9.499 -7.491 1.00 42.55 H new ATOM 0 HD3 ARG A 88 7.152 8.286 -8.232 1.00 42.55 H new ATOM 0 HE ARG A 88 6.219 10.499 -6.436 1.00 2.40 H new ATOM 0 HH11 ARG A 88 5.447 7.868 -8.591 1.00 54.53 H new ATOM 0 HH12 ARG A 88 3.808 8.464 -8.875 1.00 54.53 H new ATOM 0 HH21 ARG A 88 4.175 11.219 -6.855 1.00 41.53 H new ATOM 0 HH22 ARG A 88 3.111 10.300 -7.924 1.00 41.53 H new ATOM 1433 N ALA A 89 10.248 8.665 -4.257 1.00 31.12 N ATOM 1434 CA ALA A 89 10.375 9.844 -3.373 1.00 10.45 C ATOM 1435 C ALA A 89 9.647 11.063 -4.013 1.00 11.15 C ATOM 1436 O ALA A 89 9.958 11.421 -5.160 1.00 25.24 O ATOM 1437 CB ALA A 89 11.864 10.158 -3.125 1.00 20.42 C ATOM 0 H ALA A 89 10.731 8.780 -5.148 1.00 31.12 H new ATOM 0 HA ALA A 89 9.907 9.629 -2.412 1.00 10.45 H new ATOM 0 HB1 ALA A 89 11.949 11.027 -2.473 1.00 20.42 H new ATOM 0 HB2 ALA A 89 12.343 9.301 -2.651 1.00 20.42 H new ATOM 0 HB3 ALA A 89 12.355 10.368 -4.075 1.00 20.42 H new ATOM 1443 N PRO A 90 8.643 11.697 -3.314 1.00 51.14 N ATOM 1444 CA PRO A 90 7.923 12.890 -3.841 1.00 52.52 C ATOM 1445 C PRO A 90 8.835 14.133 -3.939 1.00 53.53 C ATOM 1446 O PRO A 90 9.040 14.873 -2.969 1.00 2.00 O ATOM 1447 CB PRO A 90 6.777 13.104 -2.829 1.00 10.20 C ATOM 1448 CG PRO A 90 7.300 12.514 -1.566 1.00 72.31 C ATOM 1449 CD PRO A 90 8.138 11.318 -1.975 1.00 71.23 C ATOM 0 HA PRO A 90 7.566 12.737 -4.859 1.00 52.52 H new ATOM 0 HB2 PRO A 90 6.542 14.162 -2.709 1.00 10.20 H new ATOM 0 HB3 PRO A 90 5.861 12.609 -3.152 1.00 10.20 H new ATOM 0 HG2 PRO A 90 7.899 13.240 -1.016 1.00 72.31 H new ATOM 0 HG3 PRO A 90 6.484 12.212 -0.910 1.00 72.31 H new ATOM 0 HD2 PRO A 90 8.953 11.139 -1.274 1.00 71.23 H new ATOM 0 HD3 PRO A 90 7.544 10.405 -2.013 1.00 71.23 H new ATOM 1457 N TYR A 91 9.384 14.315 -5.129 1.00 65.12 N ATOM 1458 CA TYR A 91 10.315 15.415 -5.461 1.00 70.22 C ATOM 1459 C TYR A 91 9.621 16.806 -5.373 1.00 54.44 C ATOM 1460 O TYR A 91 10.263 17.810 -5.045 1.00 25.12 O ATOM 1461 CB TYR A 91 10.916 15.156 -6.878 1.00 42.22 C ATOM 1462 CG TYR A 91 9.856 14.789 -7.938 1.00 34.43 C ATOM 1463 CD1 TYR A 91 9.076 15.775 -8.530 1.00 74.52 C ATOM 1464 CD2 TYR A 91 9.598 13.458 -8.292 1.00 53.41 C ATOM 1465 CE1 TYR A 91 8.088 15.468 -9.423 1.00 21.24 C ATOM 1466 CE2 TYR A 91 8.608 13.143 -9.202 1.00 73.05 C ATOM 1467 CZ TYR A 91 7.853 14.152 -9.766 1.00 61.32 C ATOM 1468 OH TYR A 91 6.862 13.849 -10.671 1.00 53.12 O ATOM 0 H TYR A 91 9.199 13.696 -5.918 1.00 65.12 H new ATOM 0 HA TYR A 91 11.122 15.434 -4.728 1.00 70.22 H new ATOM 0 HB2 TYR A 91 11.452 16.047 -7.205 1.00 42.22 H new ATOM 0 HB3 TYR A 91 11.647 14.350 -6.812 1.00 42.22 H new ATOM 0 HD1 TYR A 91 9.255 16.810 -8.278 1.00 74.52 H new ATOM 0 HD2 TYR A 91 10.182 12.666 -7.846 1.00 53.41 H new ATOM 0 HE1 TYR A 91 7.491 16.255 -9.860 1.00 21.24 H new ATOM 0 HE2 TYR A 91 8.425 12.113 -9.471 1.00 73.05 H new ATOM 0 HH TYR A 91 6.826 12.879 -10.804 1.00 53.12 H new ATOM 1478 N ASP A 92 8.296 16.847 -5.667 1.00 63.33 N ATOM 1479 CA ASP A 92 7.488 18.087 -5.603 1.00 51.21 C ATOM 1480 C ASP A 92 6.626 18.112 -4.329 1.00 74.43 C ATOM 1481 O ASP A 92 5.987 17.122 -3.964 1.00 24.23 O ATOM 1482 CB ASP A 92 6.575 18.259 -6.860 1.00 1.31 C ATOM 1483 CG ASP A 92 7.325 18.697 -8.134 1.00 33.02 C ATOM 1484 OD1 ASP A 92 8.437 19.259 -8.032 1.00 54.22 O ATOM 1485 OD2 ASP A 92 6.789 18.499 -9.248 1.00 71.34 O ATOM 0 H ASP A 92 7.763 16.026 -5.953 1.00 63.33 H new ATOM 0 HA ASP A 92 8.190 18.920 -5.580 1.00 51.21 H new ATOM 0 HB2 ASP A 92 6.067 17.315 -7.058 1.00 1.31 H new ATOM 0 HB3 ASP A 92 5.803 18.995 -6.636 1.00 1.31 H new ATOM 1490 N GLN A 93 6.628 19.264 -3.672 1.00 3.04 N ATOM 1491 CA GLN A 93 5.746 19.549 -2.511 1.00 54.54 C ATOM 1492 C GLN A 93 4.302 19.871 -2.952 1.00 74.04 C ATOM 1493 O GLN A 93 3.382 19.748 -2.151 1.00 25.11 O ATOM 1494 CB GLN A 93 6.312 20.681 -1.622 1.00 54.33 C ATOM 1495 CG GLN A 93 7.568 20.285 -0.823 1.00 51.12 C ATOM 1496 CD GLN A 93 7.920 21.294 0.273 1.00 51.42 C ATOM 1497 OE1 GLN A 93 8.680 22.234 0.062 1.00 70.42 O ATOM 1498 NE2 GLN A 93 7.355 21.107 1.454 1.00 31.00 N ATOM 0 H GLN A 93 7.240 20.042 -3.919 1.00 3.04 H new ATOM 0 HA GLN A 93 5.716 18.639 -1.912 1.00 54.54 H new ATOM 0 HB2 GLN A 93 6.550 21.538 -2.252 1.00 54.33 H new ATOM 0 HB3 GLN A 93 5.538 21.003 -0.925 1.00 54.33 H new ATOM 0 HG2 GLN A 93 7.411 19.306 -0.371 1.00 51.12 H new ATOM 0 HG3 GLN A 93 8.412 20.189 -1.506 1.00 51.12 H new ATOM 0 HE21 GLN A 93 6.727 20.316 1.600 1.00 31.00 H new ATOM 0 HE22 GLN A 93 7.547 21.753 2.219 1.00 31.00 H new ATOM 1507 N ALA A 94 4.125 20.332 -4.203 1.00 11.15 N ATOM 1508 CA ALA A 94 2.790 20.457 -4.840 1.00 41.33 C ATOM 1509 C ALA A 94 2.095 19.073 -4.958 1.00 1.32 C ATOM 1510 O ALA A 94 0.874 18.953 -4.804 1.00 52.25 O ATOM 1511 CB ALA A 94 2.937 21.106 -6.226 1.00 23.33 C ATOM 0 H ALA A 94 4.895 20.628 -4.803 1.00 11.15 H new ATOM 0 HA ALA A 94 2.163 21.090 -4.212 1.00 41.33 H new ATOM 0 HB1 ALA A 94 1.955 21.197 -6.691 1.00 23.33 H new ATOM 0 HB2 ALA A 94 3.381 22.096 -6.119 1.00 23.33 H new ATOM 0 HB3 ALA A 94 3.579 20.486 -6.852 1.00 23.33 H new ATOM 1517 N GLU A 95 2.916 18.042 -5.226 1.00 44.44 N ATOM 1518 CA GLU A 95 2.496 16.619 -5.268 1.00 74.03 C ATOM 1519 C GLU A 95 2.043 16.121 -3.864 1.00 71.21 C ATOM 1520 O GLU A 95 1.020 15.440 -3.727 1.00 21.41 O ATOM 1521 CB GLU A 95 3.687 15.775 -5.804 1.00 1.31 C ATOM 1522 CG GLU A 95 3.443 14.262 -5.977 1.00 61.32 C ATOM 1523 CD GLU A 95 4.693 13.509 -6.487 1.00 54.31 C ATOM 1524 OE1 GLU A 95 5.231 13.884 -7.550 1.00 71.42 O ATOM 1525 OE2 GLU A 95 5.143 12.543 -5.832 1.00 71.25 O ATOM 0 H GLU A 95 3.908 18.170 -5.424 1.00 44.44 H new ATOM 0 HA GLU A 95 1.638 16.510 -5.931 1.00 74.03 H new ATOM 0 HB2 GLU A 95 3.986 16.184 -6.769 1.00 1.31 H new ATOM 0 HB3 GLU A 95 4.530 15.908 -5.126 1.00 1.31 H new ATOM 0 HG2 GLU A 95 3.133 13.837 -5.022 1.00 61.32 H new ATOM 0 HG3 GLU A 95 2.621 14.109 -6.677 1.00 61.32 H new ATOM 1532 N VAL A 96 2.802 16.520 -2.822 1.00 44.23 N ATOM 1533 CA VAL A 96 2.511 16.165 -1.408 1.00 12.53 C ATOM 1534 C VAL A 96 1.229 16.883 -0.908 1.00 41.33 C ATOM 1535 O VAL A 96 0.333 16.260 -0.328 1.00 44.25 O ATOM 1536 CB VAL A 96 3.727 16.533 -0.472 1.00 54.51 C ATOM 1537 CG1 VAL A 96 3.436 16.206 1.016 1.00 30.45 C ATOM 1538 CG2 VAL A 96 5.022 15.833 -0.956 1.00 24.14 C ATOM 0 H VAL A 96 3.635 17.098 -2.932 1.00 44.23 H new ATOM 0 HA VAL A 96 2.349 15.088 -1.367 1.00 12.53 H new ATOM 0 HB VAL A 96 3.874 17.611 -0.537 1.00 54.51 H new ATOM 0 HG11 VAL A 96 4.300 16.475 1.623 1.00 30.45 H new ATOM 0 HG12 VAL A 96 2.567 16.773 1.350 1.00 30.45 H new ATOM 0 HG13 VAL A 96 3.236 15.140 1.122 1.00 30.45 H new ATOM 0 HG21 VAL A 96 5.848 16.100 -0.297 1.00 24.14 H new ATOM 0 HG22 VAL A 96 4.879 14.752 -0.940 1.00 24.14 H new ATOM 0 HG23 VAL A 96 5.251 16.153 -1.972 1.00 24.14 H new ATOM 1548 N ALA A 97 1.160 18.196 -1.181 1.00 34.03 N ATOM 1549 CA ALA A 97 0.043 19.077 -0.772 1.00 34.32 C ATOM 1550 C ALA A 97 -1.287 18.692 -1.466 1.00 11.23 C ATOM 1551 O ALA A 97 -2.365 18.875 -0.895 1.00 3.30 O ATOM 1552 CB ALA A 97 0.407 20.546 -1.051 1.00 64.53 C ATOM 0 H ALA A 97 1.888 18.687 -1.700 1.00 34.03 H new ATOM 0 HA ALA A 97 -0.114 18.946 0.299 1.00 34.32 H new ATOM 0 HB1 ALA A 97 -0.419 21.189 -0.748 1.00 64.53 H new ATOM 0 HB2 ALA A 97 1.301 20.813 -0.487 1.00 64.53 H new ATOM 0 HB3 ALA A 97 0.597 20.678 -2.116 1.00 64.53 H new ATOM 1558 N ALA A 98 -1.197 18.167 -2.704 1.00 20.23 N ATOM 1559 CA ALA A 98 -2.364 17.604 -3.433 1.00 65.44 C ATOM 1560 C ALA A 98 -2.963 16.380 -2.696 1.00 72.12 C ATOM 1561 O ALA A 98 -4.184 16.224 -2.616 1.00 42.13 O ATOM 1562 CB ALA A 98 -1.959 17.220 -4.861 1.00 4.55 C ATOM 0 H ALA A 98 -0.323 18.119 -3.228 1.00 20.23 H new ATOM 0 HA ALA A 98 -3.135 18.374 -3.473 1.00 65.44 H new ATOM 0 HB1 ALA A 98 -2.821 16.809 -5.386 1.00 4.55 H new ATOM 0 HB2 ALA A 98 -1.601 18.105 -5.388 1.00 4.55 H new ATOM 0 HB3 ALA A 98 -1.166 16.473 -4.826 1.00 4.55 H new ATOM 1568 N HIS A 99 -2.082 15.520 -2.156 1.00 21.52 N ATOM 1569 CA HIS A 99 -2.488 14.357 -1.328 1.00 35.14 C ATOM 1570 C HIS A 99 -2.953 14.776 0.083 1.00 71.43 C ATOM 1571 O HIS A 99 -3.755 14.084 0.697 1.00 31.33 O ATOM 1572 CB HIS A 99 -1.348 13.313 -1.262 1.00 13.41 C ATOM 1573 CG HIS A 99 -1.245 12.502 -2.524 1.00 33.32 C ATOM 1574 ND1 HIS A 99 -2.047 11.408 -2.768 1.00 22.45 N ATOM 1575 CD2 HIS A 99 -0.465 12.634 -3.616 1.00 33.34 C ATOM 1576 CE1 HIS A 99 -1.772 10.912 -3.948 1.00 65.11 C ATOM 1577 NE2 HIS A 99 -0.813 11.632 -4.485 1.00 40.14 N ATOM 0 H HIS A 99 -1.073 15.605 -2.277 1.00 21.52 H new ATOM 0 HA HIS A 99 -3.349 13.895 -1.812 1.00 35.14 H new ATOM 0 HB2 HIS A 99 -0.401 13.822 -1.082 1.00 13.41 H new ATOM 0 HB3 HIS A 99 -1.517 12.646 -0.417 1.00 13.41 H new ATOM 0 HD1 HIS A 99 -2.749 11.040 -2.126 1.00 22.45 H new ATOM 0 HD2 HIS A 99 0.292 13.388 -3.776 1.00 33.34 H new ATOM 0 HE1 HIS A 99 -2.251 10.057 -4.402 1.00 65.11 H new ATOM 1586 N ALA A 100 -2.438 15.904 0.596 1.00 72.42 N ATOM 1587 CA ALA A 100 -2.957 16.523 1.838 1.00 55.15 C ATOM 1588 C ALA A 100 -4.400 17.064 1.634 1.00 65.32 C ATOM 1589 O ALA A 100 -5.242 16.970 2.528 1.00 41.20 O ATOM 1590 CB ALA A 100 -2.006 17.632 2.312 1.00 3.21 C ATOM 0 H ALA A 100 -1.661 16.411 0.173 1.00 72.42 H new ATOM 0 HA ALA A 100 -3.005 15.758 2.613 1.00 55.15 H new ATOM 0 HB1 ALA A 100 -2.397 18.080 3.225 1.00 3.21 H new ATOM 0 HB2 ALA A 100 -1.021 17.208 2.508 1.00 3.21 H new ATOM 0 HB3 ALA A 100 -1.924 18.396 1.539 1.00 3.21 H new ATOM 1596 N ALA A 101 -4.674 17.595 0.426 1.00 4.25 N ATOM 1597 CA ALA A 101 -6.024 18.078 0.033 1.00 33.15 C ATOM 1598 C ALA A 101 -7.017 16.903 -0.130 1.00 21.41 C ATOM 1599 O ALA A 101 -8.184 17.002 0.260 1.00 73.10 O ATOM 1600 CB ALA A 101 -5.936 18.884 -1.274 1.00 41.32 C ATOM 0 H ALA A 101 -3.972 17.703 -0.306 1.00 4.25 H new ATOM 0 HA ALA A 101 -6.396 18.723 0.829 1.00 33.15 H new ATOM 0 HB1 ALA A 101 -6.930 19.233 -1.554 1.00 41.32 H new ATOM 0 HB2 ALA A 101 -5.277 19.741 -1.130 1.00 41.32 H new ATOM 0 HB3 ALA A 101 -5.538 18.250 -2.066 1.00 41.32 H new ATOM 1606 N THR A 102 -6.528 15.797 -0.723 1.00 4.35 N ATOM 1607 CA THR A 102 -7.310 14.547 -0.877 1.00 30.21 C ATOM 1608 C THR A 102 -7.599 13.907 0.504 1.00 50.34 C ATOM 1609 O THR A 102 -8.704 13.438 0.766 1.00 40.23 O ATOM 1610 CB THR A 102 -6.568 13.512 -1.802 1.00 75.21 C ATOM 1611 OG1 THR A 102 -6.172 14.157 -3.027 1.00 62.14 O ATOM 1612 CG2 THR A 102 -7.450 12.293 -2.153 1.00 31.21 C ATOM 0 H THR A 102 -5.585 15.741 -1.108 1.00 4.35 H new ATOM 0 HA THR A 102 -8.255 14.812 -1.351 1.00 30.21 H new ATOM 0 HB THR A 102 -5.700 13.154 -1.248 1.00 75.21 H new ATOM 0 HG1 THR A 102 -5.457 14.801 -2.841 1.00 62.14 H new ATOM 0 HG21 THR A 102 -6.890 11.611 -2.793 1.00 31.21 H new ATOM 0 HG22 THR A 102 -7.739 11.777 -1.237 1.00 31.21 H new ATOM 0 HG23 THR A 102 -8.344 12.630 -2.677 1.00 31.21 H new ATOM 1620 N TYR A 103 -6.588 13.924 1.385 1.00 44.01 N ATOM 1621 CA TYR A 103 -6.695 13.427 2.773 1.00 62.33 C ATOM 1622 C TYR A 103 -7.783 14.179 3.588 1.00 70.33 C ATOM 1623 O TYR A 103 -8.611 13.560 4.255 1.00 73.51 O ATOM 1624 CB TYR A 103 -5.311 13.559 3.467 1.00 44.24 C ATOM 1625 CG TYR A 103 -5.249 13.009 4.903 1.00 43.41 C ATOM 1626 CD1 TYR A 103 -5.547 13.815 6.011 1.00 71.41 C ATOM 1627 CD2 TYR A 103 -4.903 11.679 5.143 1.00 12.21 C ATOM 1628 CE1 TYR A 103 -5.503 13.310 7.294 1.00 41.53 C ATOM 1629 CE2 TYR A 103 -4.864 11.173 6.428 1.00 45.24 C ATOM 1630 CZ TYR A 103 -5.164 11.986 7.494 1.00 50.31 C ATOM 1631 OH TYR A 103 -5.148 11.464 8.768 1.00 11.53 O ATOM 0 H TYR A 103 -5.662 14.286 1.156 1.00 44.01 H new ATOM 0 HA TYR A 103 -6.999 12.381 2.736 1.00 62.33 H new ATOM 0 HB2 TYR A 103 -4.567 13.040 2.863 1.00 44.24 H new ATOM 0 HB3 TYR A 103 -5.029 14.612 3.485 1.00 44.24 H new ATOM 0 HD1 TYR A 103 -5.816 14.850 5.857 1.00 71.41 H new ATOM 0 HD2 TYR A 103 -4.662 11.034 4.311 1.00 12.21 H new ATOM 0 HE1 TYR A 103 -5.732 13.946 8.137 1.00 41.53 H new ATOM 0 HE2 TYR A 103 -4.598 10.140 6.594 1.00 45.24 H new ATOM 0 HH TYR A 103 -4.434 11.889 9.287 1.00 11.53 H new ATOM 1641 N HIS A 104 -7.742 15.522 3.568 1.00 53.21 N ATOM 1642 CA HIS A 104 -8.662 16.359 4.376 1.00 14.40 C ATOM 1643 C HIS A 104 -10.093 16.455 3.772 1.00 31.51 C ATOM 1644 O HIS A 104 -11.085 16.276 4.489 1.00 41.34 O ATOM 1645 CB HIS A 104 -8.045 17.766 4.615 1.00 5.32 C ATOM 1646 CG HIS A 104 -6.821 17.747 5.509 1.00 71.23 C ATOM 1647 ND1 HIS A 104 -6.841 17.228 6.784 1.00 4.11 N ATOM 1648 CD2 HIS A 104 -5.546 18.172 5.309 1.00 71.03 C ATOM 1649 CE1 HIS A 104 -5.649 17.333 7.327 1.00 74.35 C ATOM 1650 NE2 HIS A 104 -4.841 17.900 6.456 1.00 34.10 N ATOM 0 H HIS A 104 -7.083 16.057 3.002 1.00 53.21 H new ATOM 0 HA HIS A 104 -8.783 15.862 5.339 1.00 14.40 H new ATOM 0 HB2 HIS A 104 -7.776 18.204 3.654 1.00 5.32 H new ATOM 0 HB3 HIS A 104 -8.800 18.414 5.060 1.00 5.32 H new ATOM 0 HD2 HIS A 104 -5.159 18.637 4.414 1.00 71.03 H new ATOM 0 HE1 HIS A 104 -5.378 17.009 8.321 1.00 74.35 H new ATOM 0 HE2 HIS A 104 -3.853 18.104 6.608 1.00 34.10 H new ATOM 1659 N SER A 105 -10.198 16.718 2.453 1.00 24.05 N ATOM 1660 CA SER A 105 -11.518 16.933 1.794 1.00 21.00 C ATOM 1661 C SER A 105 -12.212 15.610 1.379 1.00 10.22 C ATOM 1662 O SER A 105 -13.432 15.473 1.521 1.00 74.04 O ATOM 1663 CB SER A 105 -11.348 17.836 0.549 1.00 11.30 C ATOM 1664 OG SER A 105 -12.577 18.032 -0.140 1.00 24.10 O ATOM 0 H SER A 105 -9.399 16.788 1.823 1.00 24.05 H new ATOM 0 HA SER A 105 -12.159 17.417 2.531 1.00 21.00 H new ATOM 0 HB2 SER A 105 -10.946 18.802 0.854 1.00 11.30 H new ATOM 0 HB3 SER A 105 -10.621 17.387 -0.128 1.00 11.30 H new ATOM 0 HG SER A 105 -12.427 18.608 -0.918 1.00 24.10 H new ATOM 1670 N HIS A 106 -11.429 14.632 0.883 1.00 12.53 N ATOM 1671 CA HIS A 106 -11.976 13.330 0.392 1.00 2.30 C ATOM 1672 C HIS A 106 -11.811 12.193 1.434 1.00 12.32 C ATOM 1673 O HIS A 106 -12.357 11.100 1.254 1.00 41.14 O ATOM 1674 CB HIS A 106 -11.286 12.932 -0.944 1.00 51.02 C ATOM 1675 CG HIS A 106 -11.438 13.938 -2.060 1.00 74.54 C ATOM 1676 ND1 HIS A 106 -12.213 13.710 -3.178 1.00 54.13 N ATOM 1677 CD2 HIS A 106 -10.889 15.166 -2.241 1.00 24.44 C ATOM 1678 CE1 HIS A 106 -12.135 14.741 -3.988 1.00 34.25 C ATOM 1679 NE2 HIS A 106 -11.343 15.637 -3.445 1.00 53.21 N ATOM 0 H HIS A 106 -10.415 14.709 0.807 1.00 12.53 H new ATOM 0 HA HIS A 106 -13.045 13.468 0.227 1.00 2.30 H new ATOM 0 HB2 HIS A 106 -10.224 12.777 -0.756 1.00 51.02 H new ATOM 0 HB3 HIS A 106 -11.693 11.977 -1.277 1.00 51.02 H new ATOM 0 HD2 HIS A 106 -10.220 15.676 -1.564 1.00 24.44 H new ATOM 0 HE1 HIS A 106 -12.637 14.836 -4.939 1.00 34.25 H new ATOM 0 HE2 HIS A 106 -11.104 16.540 -3.855 1.00 53.21 H new ATOM 1688 N GLY A 107 -11.057 12.464 2.512 1.00 54.22 N ATOM 1689 CA GLY A 107 -10.793 11.459 3.562 1.00 21.23 C ATOM 1690 C GLY A 107 -9.533 10.623 3.290 1.00 20.01 C ATOM 1691 O GLY A 107 -9.095 10.509 2.135 1.00 5.33 O ATOM 0 H GLY A 107 -10.619 13.369 2.682 1.00 54.22 H new ATOM 0 HA2 GLY A 107 -10.687 11.964 4.522 1.00 21.23 H new ATOM 0 HA3 GLY A 107 -11.653 10.794 3.645 1.00 21.23 H new ATOM 1695 N TYR A 108 -8.961 10.024 4.361 1.00 44.21 N ATOM 1696 CA TYR A 108 -7.711 9.232 4.265 1.00 50.53 C ATOM 1697 C TYR A 108 -7.891 8.016 3.341 1.00 4.50 C ATOM 1698 O TYR A 108 -6.957 7.622 2.657 1.00 50.34 O ATOM 1699 CB TYR A 108 -7.207 8.767 5.669 1.00 73.21 C ATOM 1700 CG TYR A 108 -7.955 7.573 6.300 1.00 44.21 C ATOM 1701 CD1 TYR A 108 -9.084 7.757 7.100 1.00 54.13 C ATOM 1702 CD2 TYR A 108 -7.519 6.254 6.088 1.00 51.32 C ATOM 1703 CE1 TYR A 108 -9.744 6.678 7.663 1.00 62.41 C ATOM 1704 CE2 TYR A 108 -8.181 5.182 6.642 1.00 32.14 C ATOM 1705 CZ TYR A 108 -9.292 5.397 7.430 1.00 52.34 C ATOM 1706 OH TYR A 108 -9.944 4.321 8.001 1.00 74.22 O ATOM 0 H TYR A 108 -9.346 10.074 5.304 1.00 44.21 H new ATOM 0 HA TYR A 108 -6.955 9.889 3.835 1.00 50.53 H new ATOM 0 HB2 TYR A 108 -6.152 8.505 5.585 1.00 73.21 H new ATOM 0 HB3 TYR A 108 -7.272 9.613 6.354 1.00 73.21 H new ATOM 0 HD1 TYR A 108 -9.449 8.757 7.283 1.00 54.13 H new ATOM 0 HD2 TYR A 108 -6.646 6.078 5.477 1.00 51.32 H new ATOM 0 HE1 TYR A 108 -10.612 6.840 8.284 1.00 62.41 H new ATOM 0 HE2 TYR A 108 -7.832 4.176 6.460 1.00 32.14 H new ATOM 0 HH TYR A 108 -9.843 3.534 7.425 1.00 74.22 H new ATOM 1716 N ASP A 109 -9.101 7.418 3.368 1.00 4.31 N ATOM 1717 CA ASP A 109 -9.434 6.251 2.536 1.00 24.21 C ATOM 1718 C ASP A 109 -9.229 6.565 1.040 1.00 52.31 C ATOM 1719 O ASP A 109 -8.457 5.892 0.378 1.00 40.03 O ATOM 1720 CB ASP A 109 -10.892 5.807 2.812 1.00 43.22 C ATOM 1721 CG ASP A 109 -11.345 4.618 1.941 1.00 1.12 C ATOM 1722 OD1 ASP A 109 -10.892 3.482 2.183 1.00 40.24 O ATOM 1723 OD2 ASP A 109 -12.154 4.812 1.001 1.00 34.11 O ATOM 0 H ASP A 109 -9.867 7.731 3.964 1.00 4.31 H new ATOM 0 HA ASP A 109 -8.763 5.433 2.797 1.00 24.21 H new ATOM 0 HB2 ASP A 109 -10.988 5.535 3.863 1.00 43.22 H new ATOM 0 HB3 ASP A 109 -11.560 6.651 2.638 1.00 43.22 H new ATOM 1728 N ALA A 110 -9.852 7.659 0.559 1.00 11.42 N ATOM 1729 CA ALA A 110 -9.768 8.076 -0.861 1.00 73.11 C ATOM 1730 C ALA A 110 -8.320 8.459 -1.264 1.00 1.20 C ATOM 1731 O ALA A 110 -7.920 8.268 -2.420 1.00 3.24 O ATOM 1732 CB ALA A 110 -10.730 9.244 -1.125 1.00 73.44 C ATOM 0 H ALA A 110 -10.424 8.276 1.136 1.00 11.42 H new ATOM 0 HA ALA A 110 -10.061 7.226 -1.477 1.00 73.11 H new ATOM 0 HB1 ALA A 110 -10.661 9.543 -2.171 1.00 73.44 H new ATOM 0 HB2 ALA A 110 -11.751 8.932 -0.904 1.00 73.44 H new ATOM 0 HB3 ALA A 110 -10.462 10.087 -0.488 1.00 73.44 H new ATOM 1738 N ASP A 111 -7.550 8.986 -0.290 1.00 43.52 N ATOM 1739 CA ASP A 111 -6.124 9.330 -0.481 1.00 71.32 C ATOM 1740 C ASP A 111 -5.266 8.058 -0.705 1.00 41.52 C ATOM 1741 O ASP A 111 -4.532 7.964 -1.691 1.00 51.23 O ATOM 1742 CB ASP A 111 -5.589 10.149 0.728 1.00 21.25 C ATOM 1743 CG ASP A 111 -4.133 10.607 0.532 1.00 62.13 C ATOM 1744 OD1 ASP A 111 -3.882 11.343 -0.443 1.00 35.10 O ATOM 1745 OD2 ASP A 111 -3.233 10.205 1.317 1.00 11.35 O ATOM 0 H ASP A 111 -7.897 9.185 0.648 1.00 43.52 H new ATOM 0 HA ASP A 111 -6.046 9.948 -1.376 1.00 71.32 H new ATOM 0 HB2 ASP A 111 -6.224 11.022 0.881 1.00 21.25 H new ATOM 0 HB3 ASP A 111 -5.657 9.543 1.632 1.00 21.25 H new ATOM 1750 N ILE A 112 -5.396 7.080 0.209 1.00 22.40 N ATOM 1751 CA ILE A 112 -4.656 5.795 0.153 1.00 24.42 C ATOM 1752 C ILE A 112 -5.044 4.975 -1.106 1.00 32.34 C ATOM 1753 O ILE A 112 -4.179 4.374 -1.767 1.00 73.30 O ATOM 1754 CB ILE A 112 -4.890 4.953 1.467 1.00 25.22 C ATOM 1755 CG1 ILE A 112 -4.335 5.714 2.725 1.00 3.34 C ATOM 1756 CG2 ILE A 112 -4.297 3.524 1.364 1.00 13.20 C ATOM 1757 CD1 ILE A 112 -2.842 6.017 2.696 1.00 4.30 C ATOM 0 H ILE A 112 -6.019 7.154 1.013 1.00 22.40 H new ATOM 0 HA ILE A 112 -3.593 6.027 0.083 1.00 24.42 H new ATOM 0 HB ILE A 112 -5.967 4.836 1.587 1.00 25.22 H new ATOM 0 HG12 ILE A 112 -4.878 6.653 2.830 1.00 3.34 H new ATOM 0 HG13 ILE A 112 -4.551 5.120 3.613 1.00 3.34 H new ATOM 0 HG21 ILE A 112 -4.484 2.985 2.293 1.00 13.20 H new ATOM 0 HG22 ILE A 112 -4.767 2.994 0.536 1.00 13.20 H new ATOM 0 HG23 ILE A 112 -3.223 3.587 1.191 1.00 13.20 H new ATOM 0 HD11 ILE A 112 -2.560 6.543 3.608 1.00 4.30 H new ATOM 0 HD12 ILE A 112 -2.283 5.084 2.627 1.00 4.30 H new ATOM 0 HD13 ILE A 112 -2.614 6.641 1.832 1.00 4.30 H new ATOM 1769 N ASN A 113 -6.348 4.989 -1.438 1.00 21.32 N ATOM 1770 CA ASN A 113 -6.870 4.362 -2.671 1.00 25.14 C ATOM 1771 C ASN A 113 -6.244 5.016 -3.924 1.00 24.13 C ATOM 1772 O ASN A 113 -5.942 4.328 -4.880 1.00 24.51 O ATOM 1773 CB ASN A 113 -8.413 4.460 -2.763 1.00 62.22 C ATOM 1774 CG ASN A 113 -9.149 3.832 -1.583 1.00 15.21 C ATOM 1775 OD1 ASN A 113 -8.652 2.940 -0.915 1.00 53.31 O ATOM 1776 ND2 ASN A 113 -10.344 4.303 -1.313 1.00 24.22 N ATOM 0 H ASN A 113 -7.067 5.431 -0.865 1.00 21.32 H new ATOM 0 HA ASN A 113 -6.594 3.308 -2.629 1.00 25.14 H new ATOM 0 HB2 ASN A 113 -8.696 5.510 -2.836 1.00 62.22 H new ATOM 0 HB3 ASN A 113 -8.743 3.976 -3.682 1.00 62.22 H new ATOM 0 HD21 ASN A 113 -10.877 3.923 -0.531 1.00 24.22 H new ATOM 0 HD22 ASN A 113 -10.739 5.049 -1.885 1.00 24.22 H new ATOM 1783 N SER A 114 -6.018 6.350 -3.880 1.00 43.14 N ATOM 1784 CA SER A 114 -5.434 7.117 -5.021 1.00 24.12 C ATOM 1785 C SER A 114 -4.062 6.553 -5.469 1.00 52.24 C ATOM 1786 O SER A 114 -3.784 6.487 -6.665 1.00 33.24 O ATOM 1787 CB SER A 114 -5.293 8.623 -4.667 1.00 32.02 C ATOM 1788 OG SER A 114 -4.772 9.387 -5.755 1.00 11.44 O ATOM 0 H SER A 114 -6.230 6.926 -3.065 1.00 43.14 H new ATOM 0 HA SER A 114 -6.128 7.008 -5.854 1.00 24.12 H new ATOM 0 HB2 SER A 114 -6.267 9.020 -4.380 1.00 32.02 H new ATOM 0 HB3 SER A 114 -4.638 8.731 -3.803 1.00 32.02 H new ATOM 0 HG SER A 114 -4.701 10.328 -5.490 1.00 11.44 H new ATOM 1794 N TYR A 115 -3.226 6.121 -4.497 1.00 64.03 N ATOM 1795 CA TYR A 115 -1.897 5.514 -4.785 1.00 3.35 C ATOM 1796 C TYR A 115 -2.053 4.115 -5.458 1.00 32.33 C ATOM 1797 O TYR A 115 -1.308 3.756 -6.378 1.00 53.53 O ATOM 1798 CB TYR A 115 -1.080 5.350 -3.471 1.00 44.15 C ATOM 1799 CG TYR A 115 -0.870 6.634 -2.642 1.00 22.42 C ATOM 1800 CD1 TYR A 115 0.135 7.557 -2.947 1.00 40.25 C ATOM 1801 CD2 TYR A 115 -1.675 6.910 -1.542 1.00 4.43 C ATOM 1802 CE1 TYR A 115 0.320 8.699 -2.184 1.00 45.14 C ATOM 1803 CE2 TYR A 115 -1.498 8.048 -0.779 1.00 20.14 C ATOM 1804 CZ TYR A 115 -0.504 8.940 -1.102 1.00 41.11 C ATOM 1805 OH TYR A 115 -0.331 10.076 -0.342 1.00 0.12 O ATOM 0 H TYR A 115 -3.445 6.180 -3.503 1.00 64.03 H new ATOM 0 HA TYR A 115 -1.371 6.182 -5.467 1.00 3.35 H new ATOM 0 HB2 TYR A 115 -1.582 4.614 -2.843 1.00 44.15 H new ATOM 0 HB3 TYR A 115 -0.102 4.940 -3.723 1.00 44.15 H new ATOM 0 HD1 TYR A 115 0.780 7.376 -3.794 1.00 40.25 H new ATOM 0 HD2 TYR A 115 -2.459 6.216 -1.277 1.00 4.43 H new ATOM 0 HE1 TYR A 115 1.105 9.397 -2.434 1.00 45.14 H new ATOM 0 HE2 TYR A 115 -2.139 8.236 0.069 1.00 20.14 H new ATOM 0 HH TYR A 115 -1.135 10.236 0.195 1.00 0.12 H new ATOM 1815 N ILE A 116 -3.055 3.360 -4.977 1.00 54.52 N ATOM 1816 CA ILE A 116 -3.340 1.962 -5.395 1.00 14.41 C ATOM 1817 C ILE A 116 -4.132 1.884 -6.745 1.00 22.24 C ATOM 1818 O ILE A 116 -4.011 0.918 -7.506 1.00 23.24 O ATOM 1819 CB ILE A 116 -4.132 1.247 -4.229 1.00 54.10 C ATOM 1820 CG1 ILE A 116 -3.294 1.268 -2.902 1.00 50.22 C ATOM 1821 CG2 ILE A 116 -4.561 -0.190 -4.593 1.00 23.24 C ATOM 1822 CD1 ILE A 116 -1.983 0.492 -2.951 1.00 71.21 C ATOM 0 H ILE A 116 -3.707 3.704 -4.272 1.00 54.52 H new ATOM 0 HA ILE A 116 -2.394 1.453 -5.578 1.00 14.41 H new ATOM 0 HB ILE A 116 -5.051 1.812 -4.073 1.00 54.10 H new ATOM 0 HG12 ILE A 116 -3.075 2.305 -2.646 1.00 50.22 H new ATOM 0 HG13 ILE A 116 -3.908 0.863 -2.097 1.00 50.22 H new ATOM 0 HG21 ILE A 116 -5.101 -0.632 -3.755 1.00 23.24 H new ATOM 0 HG22 ILE A 116 -5.209 -0.165 -5.469 1.00 23.24 H new ATOM 0 HG23 ILE A 116 -3.677 -0.789 -4.812 1.00 23.24 H new ATOM 0 HD11 ILE A 116 -1.479 0.568 -1.987 1.00 71.21 H new ATOM 0 HD12 ILE A 116 -2.188 -0.555 -3.172 1.00 71.21 H new ATOM 0 HD13 ILE A 116 -1.343 0.908 -3.729 1.00 71.21 H new ATOM 1834 N ASP A 117 -4.920 2.921 -7.033 1.00 14.43 N ATOM 1835 CA ASP A 117 -5.738 3.021 -8.263 1.00 3.31 C ATOM 1836 C ASP A 117 -5.004 3.799 -9.378 1.00 14.02 C ATOM 1837 O ASP A 117 -5.568 4.006 -10.463 1.00 12.23 O ATOM 1838 CB ASP A 117 -7.112 3.673 -7.939 1.00 33.23 C ATOM 1839 CG ASP A 117 -8.046 2.729 -7.154 1.00 15.31 C ATOM 1840 OD1 ASP A 117 -8.006 2.713 -5.905 1.00 74.04 O ATOM 1841 OD2 ASP A 117 -8.834 1.999 -7.785 1.00 61.04 O ATOM 0 H ASP A 117 -5.016 3.729 -6.418 1.00 14.43 H new ATOM 0 HA ASP A 117 -5.908 2.012 -8.638 1.00 3.31 H new ATOM 0 HB2 ASP A 117 -6.951 4.583 -7.360 1.00 33.23 H new ATOM 0 HB3 ASP A 117 -7.598 3.969 -8.869 1.00 33.23 H new ATOM 1846 N SER A 118 -3.749 4.234 -9.125 1.00 62.01 N ATOM 1847 CA SER A 118 -2.914 4.896 -10.157 1.00 11.15 C ATOM 1848 C SER A 118 -2.517 3.895 -11.270 1.00 15.44 C ATOM 1849 O SER A 118 -2.171 2.743 -10.982 1.00 61.03 O ATOM 1850 CB SER A 118 -1.632 5.508 -9.523 1.00 15.34 C ATOM 1851 OG SER A 118 -1.923 6.581 -8.638 1.00 21.20 O ATOM 0 H SER A 118 -3.292 4.140 -8.218 1.00 62.01 H new ATOM 0 HA SER A 118 -3.507 5.697 -10.598 1.00 11.15 H new ATOM 0 HB2 SER A 118 -1.091 4.731 -8.982 1.00 15.34 H new ATOM 0 HB3 SER A 118 -0.972 5.863 -10.315 1.00 15.34 H new ATOM 0 HG SER A 118 -2.683 6.339 -8.069 1.00 21.20 H new ATOM 1857 N ALA A 119 -2.584 4.346 -12.538 1.00 13.02 N ATOM 1858 CA ALA A 119 -2.172 3.541 -13.709 1.00 15.43 C ATOM 1859 C ALA A 119 -0.686 3.123 -13.604 1.00 65.34 C ATOM 1860 O ALA A 119 -0.352 1.953 -13.749 1.00 62.04 O ATOM 1861 CB ALA A 119 -2.434 4.328 -15.005 1.00 63.12 C ATOM 0 H ALA A 119 -2.924 5.276 -12.781 1.00 13.02 H new ATOM 0 HA ALA A 119 -2.767 2.628 -13.729 1.00 15.43 H new ATOM 0 HB1 ALA A 119 -2.128 3.729 -15.863 1.00 63.12 H new ATOM 0 HB2 ALA A 119 -3.497 4.557 -15.083 1.00 63.12 H new ATOM 0 HB3 ALA A 119 -1.863 5.256 -14.989 1.00 63.12 H new ATOM 1867 N GLU A 120 0.169 4.105 -13.267 1.00 0.31 N ATOM 1868 CA GLU A 120 1.635 3.914 -13.060 1.00 21.03 C ATOM 1869 C GLU A 120 1.968 2.821 -12.004 1.00 32.13 C ATOM 1870 O GLU A 120 3.037 2.219 -12.045 1.00 54.50 O ATOM 1871 CB GLU A 120 2.263 5.264 -12.645 1.00 3.04 C ATOM 1872 CG GLU A 120 1.585 5.906 -11.417 1.00 13.15 C ATOM 1873 CD GLU A 120 2.136 7.289 -11.081 1.00 11.52 C ATOM 1874 OE1 GLU A 120 1.667 8.291 -11.659 1.00 11.33 O ATOM 1875 OE2 GLU A 120 3.032 7.384 -10.232 1.00 71.13 O ATOM 0 H GLU A 120 -0.132 5.069 -13.127 1.00 0.31 H new ATOM 0 HA GLU A 120 2.057 3.566 -14.003 1.00 21.03 H new ATOM 0 HB2 GLU A 120 3.321 5.113 -12.429 1.00 3.04 H new ATOM 0 HB3 GLU A 120 2.206 5.956 -13.485 1.00 3.04 H new ATOM 0 HG2 GLU A 120 0.513 5.984 -11.601 1.00 13.15 H new ATOM 0 HG3 GLU A 120 1.714 5.251 -10.555 1.00 13.15 H new ATOM 1882 N TYR A 121 1.066 2.623 -11.031 1.00 23.12 N ATOM 1883 CA TYR A 121 1.127 1.476 -10.104 1.00 42.23 C ATOM 1884 C TYR A 121 0.644 0.167 -10.796 1.00 3.42 C ATOM 1885 O TYR A 121 1.353 -0.847 -10.811 1.00 54.04 O ATOM 1886 CB TYR A 121 0.285 1.777 -8.831 1.00 54.30 C ATOM 1887 CG TYR A 121 0.093 0.578 -7.880 1.00 1.30 C ATOM 1888 CD1 TYR A 121 1.134 0.114 -7.078 1.00 32.20 C ATOM 1889 CD2 TYR A 121 -1.130 -0.092 -7.797 1.00 4.33 C ATOM 1890 CE1 TYR A 121 0.955 -0.965 -6.227 1.00 61.52 C ATOM 1891 CE2 TYR A 121 -1.309 -1.164 -6.949 1.00 5.42 C ATOM 1892 CZ TYR A 121 -0.267 -1.602 -6.167 1.00 41.11 C ATOM 1893 OH TYR A 121 -0.451 -2.676 -5.321 1.00 52.34 O ATOM 0 H TYR A 121 0.277 3.247 -10.863 1.00 23.12 H new ATOM 0 HA TYR A 121 2.165 1.325 -9.809 1.00 42.23 H new ATOM 0 HB2 TYR A 121 0.764 2.586 -8.280 1.00 54.30 H new ATOM 0 HB3 TYR A 121 -0.696 2.138 -9.139 1.00 54.30 H new ATOM 0 HD1 TYR A 121 2.096 0.603 -7.120 1.00 32.20 H new ATOM 0 HD2 TYR A 121 -1.955 0.238 -8.412 1.00 4.33 H new ATOM 0 HE1 TYR A 121 1.773 -1.307 -5.610 1.00 61.52 H new ATOM 0 HE2 TYR A 121 -2.267 -1.659 -6.899 1.00 5.42 H new ATOM 0 HH TYR A 121 -1.163 -2.469 -4.680 1.00 52.34 H new ATOM 1903 N THR A 122 -0.557 0.227 -11.400 1.00 60.14 N ATOM 1904 CA THR A 122 -1.299 -0.973 -11.862 1.00 11.31 C ATOM 1905 C THR A 122 -0.674 -1.628 -13.124 1.00 13.04 C ATOM 1906 O THR A 122 -0.386 -2.819 -13.108 1.00 52.11 O ATOM 1907 CB THR A 122 -2.811 -0.636 -12.119 1.00 33.14 C ATOM 1908 OG1 THR A 122 -3.389 -0.031 -10.944 1.00 65.22 O ATOM 1909 CG2 THR A 122 -3.641 -1.886 -12.494 1.00 12.30 C ATOM 0 H THR A 122 -1.044 1.104 -11.584 1.00 60.14 H new ATOM 0 HA THR A 122 -1.225 -1.702 -11.055 1.00 11.31 H new ATOM 0 HB THR A 122 -2.840 0.055 -12.962 1.00 33.14 H new ATOM 0 HG1 THR A 122 -3.071 0.892 -10.861 1.00 65.22 H new ATOM 0 HG21 THR A 122 -4.679 -1.597 -12.661 1.00 12.30 H new ATOM 0 HG22 THR A 122 -3.237 -2.331 -13.403 1.00 12.30 H new ATOM 0 HG23 THR A 122 -3.593 -2.612 -11.682 1.00 12.30 H new ATOM 1917 N GLU A 123 -0.494 -0.874 -14.226 1.00 62.23 N ATOM 1918 CA GLU A 123 0.083 -1.441 -15.480 1.00 51.13 C ATOM 1919 C GLU A 123 1.628 -1.632 -15.422 1.00 53.15 C ATOM 1920 O GLU A 123 2.154 -2.537 -16.079 1.00 60.21 O ATOM 1921 CB GLU A 123 -0.374 -0.626 -16.745 1.00 52.42 C ATOM 1922 CG GLU A 123 -0.190 0.916 -16.718 1.00 53.51 C ATOM 1923 CD GLU A 123 1.267 1.400 -16.839 1.00 73.01 C ATOM 1924 OE1 GLU A 123 1.859 1.260 -17.932 1.00 50.14 O ATOM 1925 OE2 GLU A 123 1.824 1.927 -15.857 1.00 3.31 O ATOM 0 H GLU A 123 -0.733 0.116 -14.283 1.00 62.23 H new ATOM 0 HA GLU A 123 -0.325 -2.447 -15.575 1.00 51.13 H new ATOM 0 HB2 GLU A 123 0.169 -1.013 -17.607 1.00 52.42 H new ATOM 0 HB3 GLU A 123 -1.430 -0.834 -16.914 1.00 52.42 H new ATOM 0 HG2 GLU A 123 -0.770 1.350 -17.532 1.00 53.51 H new ATOM 0 HG3 GLU A 123 -0.609 1.301 -15.788 1.00 53.51 H new ATOM 1932 N SER A 124 2.350 -0.801 -14.637 1.00 4.12 N ATOM 1933 CA SER A 124 3.843 -0.868 -14.578 1.00 61.21 C ATOM 1934 C SER A 124 4.359 -1.959 -13.608 1.00 23.20 C ATOM 1935 O SER A 124 5.416 -2.553 -13.862 1.00 74.24 O ATOM 1936 CB SER A 124 4.449 0.496 -14.182 1.00 14.41 C ATOM 1937 OG SER A 124 5.878 0.486 -14.218 1.00 40.03 O ATOM 0 H SER A 124 1.938 -0.083 -14.041 1.00 4.12 H new ATOM 0 HA SER A 124 4.168 -1.134 -15.584 1.00 61.21 H new ATOM 0 HB2 SER A 124 4.076 1.266 -14.857 1.00 14.41 H new ATOM 0 HB3 SER A 124 4.115 0.762 -13.179 1.00 14.41 H new ATOM 0 HG SER A 124 6.218 1.369 -13.962 1.00 40.03 H new ATOM 1943 N PHE A 125 3.644 -2.213 -12.490 1.00 32.44 N ATOM 1944 CA PHE A 125 4.038 -3.288 -11.535 1.00 21.24 C ATOM 1945 C PHE A 125 3.133 -4.533 -11.661 1.00 73.11 C ATOM 1946 O PHE A 125 3.560 -5.616 -11.315 1.00 25.02 O ATOM 1947 CB PHE A 125 3.979 -2.765 -10.070 1.00 0.54 C ATOM 1948 CG PHE A 125 4.906 -1.584 -9.792 1.00 60.41 C ATOM 1949 CD1 PHE A 125 6.280 -1.777 -9.648 1.00 3.35 C ATOM 1950 CD2 PHE A 125 4.409 -0.285 -9.678 1.00 42.03 C ATOM 1951 CE1 PHE A 125 7.121 -0.711 -9.401 1.00 24.35 C ATOM 1952 CE2 PHE A 125 5.251 0.779 -9.431 1.00 61.54 C ATOM 1953 CZ PHE A 125 6.604 0.566 -9.296 1.00 13.35 C ATOM 0 H PHE A 125 2.803 -1.701 -12.224 1.00 32.44 H new ATOM 0 HA PHE A 125 5.059 -3.576 -11.787 1.00 21.24 H new ATOM 0 HB2 PHE A 125 2.955 -2.471 -9.842 1.00 0.54 H new ATOM 0 HB3 PHE A 125 4.235 -3.581 -9.394 1.00 0.54 H new ATOM 0 HD1 PHE A 125 6.691 -2.772 -9.731 1.00 3.35 H new ATOM 0 HD2 PHE A 125 3.349 -0.110 -9.785 1.00 42.03 H new ATOM 0 HE1 PHE A 125 8.183 -0.875 -9.290 1.00 24.35 H new ATOM 0 HE2 PHE A 125 4.849 1.778 -9.344 1.00 61.54 H new ATOM 0 HZ PHE A 125 7.264 1.400 -9.107 1.00 13.35 H new ATOM 1963 N GLY A 126 1.952 -4.378 -12.277 1.00 61.25 N ATOM 1964 CA GLY A 126 0.905 -5.424 -12.245 1.00 3.12 C ATOM 1965 C GLY A 126 0.138 -5.488 -10.904 1.00 63.32 C ATOM 1966 O GLY A 126 0.696 -5.193 -9.842 1.00 31.12 O ATOM 0 H GLY A 126 1.693 -3.543 -12.803 1.00 61.25 H new ATOM 0 HA2 GLY A 126 0.195 -5.241 -13.052 1.00 3.12 H new ATOM 0 HA3 GLY A 126 1.365 -6.393 -12.438 1.00 3.12 H new ATOM 1970 N ASP A 127 -1.141 -5.905 -10.956 1.00 3.34 N ATOM 1971 CA ASP A 127 -2.049 -5.893 -9.778 1.00 30.42 C ATOM 1972 C ASP A 127 -1.951 -7.198 -8.938 1.00 54.33 C ATOM 1973 O ASP A 127 -2.431 -7.255 -7.807 1.00 4.45 O ATOM 1974 CB ASP A 127 -3.508 -5.644 -10.233 1.00 51.31 C ATOM 1975 CG ASP A 127 -4.171 -6.849 -10.923 1.00 55.12 C ATOM 1976 OD1 ASP A 127 -3.642 -7.316 -11.955 1.00 30.42 O ATOM 1977 OD2 ASP A 127 -5.210 -7.343 -10.416 1.00 2.50 O ATOM 0 H ASP A 127 -1.578 -6.259 -11.807 1.00 3.34 H new ATOM 0 HA ASP A 127 -1.730 -5.077 -9.130 1.00 30.42 H new ATOM 0 HB2 ASP A 127 -4.104 -5.364 -9.364 1.00 51.31 H new ATOM 0 HB3 ASP A 127 -3.523 -4.795 -10.917 1.00 51.31 H new ATOM 1982 N ASN A 128 -1.356 -8.251 -9.524 1.00 41.11 N ATOM 1983 CA ASN A 128 -1.087 -9.541 -8.826 1.00 34.34 C ATOM 1984 C ASN A 128 0.407 -9.658 -8.436 1.00 54.42 C ATOM 1985 O ASN A 128 0.883 -10.726 -8.053 1.00 23.12 O ATOM 1986 CB ASN A 128 -1.541 -10.726 -9.716 1.00 10.12 C ATOM 1987 CG ASN A 128 -3.067 -10.834 -9.797 1.00 15.05 C ATOM 1988 OD1 ASN A 128 -3.693 -11.562 -9.034 1.00 20.33 O ATOM 1989 ND2 ASN A 128 -3.681 -10.088 -10.697 1.00 53.11 N ATOM 0 H ASN A 128 -1.044 -8.242 -10.495 1.00 41.11 H new ATOM 0 HA ASN A 128 -1.662 -9.570 -7.901 1.00 34.34 H new ATOM 0 HB2 ASN A 128 -1.133 -10.603 -10.719 1.00 10.12 H new ATOM 0 HB3 ASN A 128 -1.133 -11.655 -9.318 1.00 10.12 H new ATOM 0 HD21 ASN A 128 -4.698 -10.109 -10.769 1.00 53.11 H new ATOM 0 HD22 ASN A 128 -3.138 -9.491 -11.320 1.00 53.11 H new ATOM 1996 N VAL A 129 1.114 -8.522 -8.500 1.00 51.45 N ATOM 1997 CA VAL A 129 2.545 -8.394 -8.149 1.00 72.33 C ATOM 1998 C VAL A 129 2.704 -7.426 -6.961 1.00 24.23 C ATOM 1999 O VAL A 129 1.953 -6.445 -6.845 1.00 44.33 O ATOM 2000 CB VAL A 129 3.398 -7.872 -9.360 1.00 43.10 C ATOM 2001 CG1 VAL A 129 4.925 -7.869 -9.065 1.00 65.24 C ATOM 2002 CG2 VAL A 129 3.082 -8.661 -10.650 1.00 23.41 C ATOM 0 H VAL A 129 0.701 -7.641 -8.805 1.00 51.45 H new ATOM 0 HA VAL A 129 2.909 -9.385 -7.880 1.00 72.33 H new ATOM 0 HB VAL A 129 3.109 -6.833 -9.515 1.00 43.10 H new ATOM 0 HG11 VAL A 129 5.463 -7.499 -9.937 1.00 65.24 H new ATOM 0 HG12 VAL A 129 5.129 -7.223 -8.211 1.00 65.24 H new ATOM 0 HG13 VAL A 129 5.254 -8.883 -8.839 1.00 65.24 H new ATOM 0 HG21 VAL A 129 3.688 -8.276 -11.470 1.00 23.41 H new ATOM 0 HG22 VAL A 129 3.308 -9.716 -10.496 1.00 23.41 H new ATOM 0 HG23 VAL A 129 2.026 -8.549 -10.896 1.00 23.41 H new ATOM 2012 N VAL A 130 3.663 -7.718 -6.072 1.00 52.42 N ATOM 2013 CA VAL A 130 3.973 -6.868 -4.909 1.00 75.34 C ATOM 2014 C VAL A 130 4.785 -5.616 -5.362 1.00 53.24 C ATOM 2015 O VAL A 130 5.789 -5.762 -6.079 1.00 22.21 O ATOM 2016 CB VAL A 130 4.817 -7.675 -3.841 1.00 24.23 C ATOM 2017 CG1 VAL A 130 5.153 -6.810 -2.597 1.00 74.21 C ATOM 2018 CG2 VAL A 130 4.092 -8.984 -3.439 1.00 1.31 C ATOM 0 H VAL A 130 4.248 -8.551 -6.137 1.00 52.42 H new ATOM 0 HA VAL A 130 3.033 -6.551 -4.458 1.00 75.34 H new ATOM 0 HB VAL A 130 5.765 -7.944 -4.307 1.00 24.23 H new ATOM 0 HG11 VAL A 130 5.733 -7.401 -1.888 1.00 74.21 H new ATOM 0 HG12 VAL A 130 5.734 -5.940 -2.905 1.00 74.21 H new ATOM 0 HG13 VAL A 130 4.229 -6.480 -2.123 1.00 74.21 H new ATOM 0 HG21 VAL A 130 4.692 -9.521 -2.704 1.00 1.31 H new ATOM 0 HG22 VAL A 130 3.120 -8.744 -3.009 1.00 1.31 H new ATOM 0 HG23 VAL A 130 3.954 -9.609 -4.321 1.00 1.31 H new ATOM 2028 N PRO A 131 4.362 -4.365 -4.965 1.00 10.13 N ATOM 2029 CA PRO A 131 5.156 -3.132 -5.215 1.00 30.21 C ATOM 2030 C PRO A 131 6.517 -3.171 -4.474 1.00 20.14 C ATOM 2031 O PRO A 131 6.603 -3.634 -3.337 1.00 14.44 O ATOM 2032 CB PRO A 131 4.245 -1.990 -4.681 1.00 4.51 C ATOM 2033 CG PRO A 131 3.337 -2.670 -3.697 1.00 44.40 C ATOM 2034 CD PRO A 131 3.082 -4.045 -4.274 1.00 73.50 C ATOM 0 HA PRO A 131 5.413 -3.005 -6.267 1.00 30.21 H new ATOM 0 HB2 PRO A 131 4.831 -1.204 -4.205 1.00 4.51 H new ATOM 0 HB3 PRO A 131 3.679 -1.522 -5.487 1.00 4.51 H new ATOM 0 HG2 PRO A 131 3.802 -2.736 -2.713 1.00 44.40 H new ATOM 0 HG3 PRO A 131 2.406 -2.117 -3.573 1.00 44.40 H new ATOM 0 HD2 PRO A 131 2.852 -4.772 -3.495 1.00 73.50 H new ATOM 0 HD3 PRO A 131 2.240 -4.042 -4.966 1.00 73.50 H new ATOM 2042 N TYR A 132 7.574 -2.707 -5.146 1.00 23.32 N ATOM 2043 CA TYR A 132 8.947 -2.691 -4.598 1.00 22.53 C ATOM 2044 C TYR A 132 9.653 -1.372 -4.977 1.00 43.12 C ATOM 2045 O TYR A 132 9.378 -0.803 -6.036 1.00 53.31 O ATOM 2046 CB TYR A 132 9.758 -3.914 -5.125 1.00 62.33 C ATOM 2047 CG TYR A 132 9.945 -3.946 -6.661 1.00 51.10 C ATOM 2048 CD1 TYR A 132 8.896 -4.326 -7.506 1.00 1.23 C ATOM 2049 CD2 TYR A 132 11.158 -3.583 -7.258 1.00 62.24 C ATOM 2050 CE1 TYR A 132 9.052 -4.344 -8.879 1.00 64.32 C ATOM 2051 CE2 TYR A 132 11.316 -3.604 -8.631 1.00 25.32 C ATOM 2052 CZ TYR A 132 10.263 -3.987 -9.436 1.00 70.13 C ATOM 2053 OH TYR A 132 10.428 -4.021 -10.804 1.00 74.40 O ATOM 0 H TYR A 132 7.509 -2.328 -6.091 1.00 23.32 H new ATOM 0 HA TYR A 132 8.891 -2.759 -3.512 1.00 22.53 H new ATOM 0 HB2 TYR A 132 10.740 -3.914 -4.652 1.00 62.33 H new ATOM 0 HB3 TYR A 132 9.254 -4.829 -4.814 1.00 62.33 H new ATOM 0 HD1 TYR A 132 7.947 -4.611 -7.077 1.00 1.23 H new ATOM 0 HD2 TYR A 132 11.986 -3.281 -6.634 1.00 62.24 H new ATOM 0 HE1 TYR A 132 8.229 -4.637 -9.514 1.00 64.32 H new ATOM 0 HE2 TYR A 132 12.260 -3.322 -9.072 1.00 25.32 H new ATOM 0 HH TYR A 132 11.339 -3.739 -11.031 1.00 74.40 H new ATOM 2063 N PHE A 133 10.562 -0.905 -4.109 1.00 53.43 N ATOM 2064 CA PHE A 133 11.421 0.266 -4.398 1.00 21.04 C ATOM 2065 C PHE A 133 12.545 -0.152 -5.384 1.00 11.22 C ATOM 2066 O PHE A 133 13.187 -1.191 -5.182 1.00 63.23 O ATOM 2067 CB PHE A 133 12.017 0.805 -3.060 1.00 73.23 C ATOM 2068 CG PHE A 133 12.729 2.162 -3.157 1.00 43.21 C ATOM 2069 CD1 PHE A 133 14.085 2.250 -3.484 1.00 51.20 C ATOM 2070 CD2 PHE A 133 12.034 3.351 -2.921 1.00 52.21 C ATOM 2071 CE1 PHE A 133 14.717 3.478 -3.576 1.00 40.42 C ATOM 2072 CE2 PHE A 133 12.668 4.578 -3.010 1.00 44.42 C ATOM 2073 CZ PHE A 133 14.008 4.641 -3.340 1.00 35.23 C ATOM 0 H PHE A 133 10.726 -1.320 -3.192 1.00 53.43 H new ATOM 0 HA PHE A 133 10.837 1.061 -4.862 1.00 21.04 H new ATOM 0 HB2 PHE A 133 11.212 0.887 -2.330 1.00 73.23 H new ATOM 0 HB3 PHE A 133 12.723 0.070 -2.674 1.00 73.23 H new ATOM 0 HD1 PHE A 133 14.648 1.347 -3.668 1.00 51.20 H new ATOM 0 HD2 PHE A 133 10.985 3.312 -2.665 1.00 52.21 H new ATOM 0 HE1 PHE A 133 15.765 3.528 -3.832 1.00 40.42 H new ATOM 0 HE2 PHE A 133 12.115 5.486 -2.821 1.00 44.42 H new ATOM 0 HZ PHE A 133 14.502 5.599 -3.414 1.00 35.23 H new ATOM 2083 N ARG A 134 12.786 0.658 -6.440 1.00 4.42 N ATOM 2084 CA ARG A 134 13.861 0.380 -7.428 1.00 53.13 C ATOM 2085 C ARG A 134 15.230 0.824 -6.861 1.00 34.44 C ATOM 2086 O ARG A 134 15.487 2.021 -6.707 1.00 45.41 O ATOM 2087 CB ARG A 134 13.583 1.065 -8.812 1.00 45.11 C ATOM 2088 CG ARG A 134 12.533 0.358 -9.714 1.00 71.25 C ATOM 2089 CD ARG A 134 11.104 0.437 -9.159 1.00 61.00 C ATOM 2090 NE ARG A 134 10.618 1.826 -9.070 1.00 13.24 N ATOM 2091 CZ ARG A 134 9.626 2.235 -8.317 1.00 13.02 C ATOM 2092 NH1 ARG A 134 9.054 1.441 -7.479 1.00 1.51 N ATOM 2093 NH2 ARG A 134 9.221 3.456 -8.385 1.00 20.11 N ATOM 0 H ARG A 134 12.254 1.507 -6.632 1.00 4.42 H new ATOM 0 HA ARG A 134 13.879 -0.696 -7.604 1.00 53.13 H new ATOM 0 HB2 ARG A 134 13.250 2.087 -8.631 1.00 45.11 H new ATOM 0 HB3 ARG A 134 14.523 1.128 -9.361 1.00 45.11 H new ATOM 0 HG2 ARG A 134 12.555 0.808 -10.707 1.00 71.25 H new ATOM 0 HG3 ARG A 134 12.812 -0.689 -9.832 1.00 71.25 H new ATOM 0 HD2 ARG A 134 10.435 -0.140 -9.798 1.00 61.00 H new ATOM 0 HD3 ARG A 134 11.074 -0.021 -8.170 1.00 61.00 H new ATOM 0 HE ARG A 134 11.092 2.526 -9.641 1.00 13.24 H new ATOM 0 HH11 ARG A 134 9.372 0.476 -7.393 1.00 1.51 H new ATOM 0 HH12 ARG A 134 8.284 1.778 -6.902 1.00 1.51 H new ATOM 0 HH21 ARG A 134 9.672 4.108 -9.026 1.00 20.11 H new ATOM 0 HH22 ARG A 134 8.449 3.771 -7.798 1.00 20.11 H new ATOM 2107 N GLY A 135 16.080 -0.162 -6.530 1.00 73.12 N ATOM 2108 CA GLY A 135 17.421 0.113 -5.989 1.00 74.20 C ATOM 2109 C GLY A 135 18.037 -1.084 -5.264 1.00 1.32 C ATOM 2110 O GLY A 135 19.268 -1.225 -5.221 1.00 4.23 O ATOM 0 H GLY A 135 15.863 -1.154 -6.627 1.00 73.12 H new ATOM 0 HA2 GLY A 135 18.079 0.414 -6.804 1.00 74.20 H new ATOM 0 HA3 GLY A 135 17.362 0.955 -5.300 1.00 74.20 H new ATOM 2114 N LEU A 136 17.181 -1.952 -4.687 1.00 61.32 N ATOM 2115 CA LEU A 136 17.628 -3.126 -3.896 1.00 30.13 C ATOM 2116 C LEU A 136 16.644 -4.321 -4.038 1.00 22.32 C ATOM 2117 O LEU A 136 15.418 -4.151 -3.995 1.00 31.11 O ATOM 2118 CB LEU A 136 17.826 -2.756 -2.384 1.00 32.22 C ATOM 2119 CG LEU A 136 16.548 -2.372 -1.542 1.00 14.03 C ATOM 2120 CD1 LEU A 136 16.865 -2.322 -0.028 1.00 60.51 C ATOM 2121 CD2 LEU A 136 15.907 -1.038 -2.011 1.00 51.53 C ATOM 0 H LEU A 136 16.167 -1.864 -4.753 1.00 61.32 H new ATOM 0 HA LEU A 136 18.592 -3.434 -4.301 1.00 30.13 H new ATOM 0 HB2 LEU A 136 18.307 -3.602 -1.893 1.00 32.22 H new ATOM 0 HB3 LEU A 136 18.523 -1.920 -2.333 1.00 32.22 H new ATOM 0 HG LEU A 136 15.816 -3.161 -1.715 1.00 14.03 H new ATOM 0 HD11 LEU A 136 15.964 -2.055 0.524 1.00 60.51 H new ATOM 0 HD12 LEU A 136 17.216 -3.299 0.303 1.00 60.51 H new ATOM 0 HD13 LEU A 136 17.638 -1.577 0.157 1.00 60.51 H new ATOM 0 HD21 LEU A 136 15.032 -0.820 -1.399 1.00 51.53 H new ATOM 0 HD22 LEU A 136 16.632 -0.230 -1.908 1.00 51.53 H new ATOM 0 HD23 LEU A 136 15.607 -1.126 -3.055 1.00 51.53 H new ATOM 2133 N GLU A 137 17.205 -5.530 -4.238 1.00 60.32 N ATOM 2134 CA GLU A 137 16.441 -6.803 -4.298 1.00 1.21 C ATOM 2135 C GLU A 137 16.755 -7.671 -3.056 1.00 2.34 C ATOM 2136 O GLU A 137 17.916 -7.760 -2.636 1.00 62.33 O ATOM 2137 CB GLU A 137 16.819 -7.598 -5.580 1.00 14.12 C ATOM 2138 CG GLU A 137 16.058 -8.936 -5.767 1.00 70.43 C ATOM 2139 CD GLU A 137 16.751 -9.894 -6.749 1.00 24.14 C ATOM 2140 OE1 GLU A 137 16.555 -9.758 -7.970 1.00 1.02 O ATOM 2141 OE2 GLU A 137 17.512 -10.780 -6.297 1.00 61.35 O ATOM 0 H GLU A 137 18.209 -5.657 -4.364 1.00 60.32 H new ATOM 0 HA GLU A 137 15.378 -6.564 -4.319 1.00 1.21 H new ATOM 0 HB2 GLU A 137 16.634 -6.967 -6.449 1.00 14.12 H new ATOM 0 HB3 GLU A 137 17.889 -7.805 -5.559 1.00 14.12 H new ATOM 0 HG2 GLU A 137 15.958 -9.428 -4.799 1.00 70.43 H new ATOM 0 HG3 GLU A 137 15.050 -8.726 -6.124 1.00 70.43 H new ATOM 2148 N HIS A 138 15.729 -8.347 -2.503 1.00 71.51 N ATOM 2149 CA HIS A 138 15.891 -9.254 -1.345 1.00 31.11 C ATOM 2150 C HIS A 138 15.143 -10.597 -1.597 1.00 40.32 C ATOM 2151 O HIS A 138 14.335 -11.057 -0.776 1.00 4.34 O ATOM 2152 CB HIS A 138 15.406 -8.544 -0.049 1.00 15.54 C ATOM 2153 CG HIS A 138 15.849 -9.228 1.218 1.00 15.02 C ATOM 2154 ND1 HIS A 138 15.105 -10.199 1.855 1.00 73.33 N ATOM 2155 CD2 HIS A 138 16.982 -9.095 1.943 1.00 22.32 C ATOM 2156 CE1 HIS A 138 15.761 -10.629 2.914 1.00 3.15 C ATOM 2157 NE2 HIS A 138 16.899 -9.978 2.987 1.00 14.00 N ATOM 0 H HIS A 138 14.769 -8.282 -2.842 1.00 71.51 H new ATOM 0 HA HIS A 138 16.946 -9.497 -1.215 1.00 31.11 H new ATOM 0 HB2 HIS A 138 15.776 -7.519 -0.047 1.00 15.54 H new ATOM 0 HB3 HIS A 138 14.317 -8.490 -0.061 1.00 15.54 H new ATOM 0 HD1 HIS A 138 14.189 -10.532 1.553 1.00 73.33 H new ATOM 0 HD2 HIS A 138 17.799 -8.419 1.738 1.00 22.32 H new ATOM 0 HE1 HIS A 138 15.421 -11.387 3.604 1.00 3.15 H new ATOM 2166 N HIS A 139 15.442 -11.223 -2.755 1.00 23.25 N ATOM 2167 CA HIS A 139 14.872 -12.537 -3.139 1.00 63.32 C ATOM 2168 C HIS A 139 15.602 -13.678 -2.376 1.00 61.31 C ATOM 2169 O HIS A 139 16.601 -14.229 -2.848 1.00 42.13 O ATOM 2170 CB HIS A 139 14.962 -12.730 -4.680 1.00 14.12 C ATOM 2171 CG HIS A 139 14.373 -14.023 -5.182 1.00 72.21 C ATOM 2172 ND1 HIS A 139 15.124 -15.162 -5.378 1.00 1.14 N ATOM 2173 CD2 HIS A 139 13.105 -14.354 -5.529 1.00 0.53 C ATOM 2174 CE1 HIS A 139 14.352 -16.127 -5.827 1.00 13.43 C ATOM 2175 NE2 HIS A 139 13.122 -15.668 -5.924 1.00 24.23 N ATOM 0 H HIS A 139 16.082 -10.836 -3.449 1.00 23.25 H new ATOM 0 HA HIS A 139 13.819 -12.569 -2.861 1.00 63.32 H new ATOM 0 HB2 HIS A 139 14.452 -11.899 -5.168 1.00 14.12 H new ATOM 0 HB3 HIS A 139 16.009 -12.682 -4.979 1.00 14.12 H new ATOM 0 HD2 HIS A 139 12.242 -13.705 -5.500 1.00 0.53 H new ATOM 0 HE1 HIS A 139 14.673 -17.128 -6.075 1.00 13.43 H new ATOM 0 HE2 HIS A 139 12.313 -16.202 -6.241 1.00 24.23 H new ATOM 2184 N HIS A 140 15.115 -13.971 -1.154 1.00 13.41 N ATOM 2185 CA HIS A 140 15.707 -14.985 -0.241 1.00 43.02 C ATOM 2186 C HIS A 140 14.597 -15.735 0.544 1.00 50.40 C ATOM 2187 O HIS A 140 13.706 -15.106 1.132 1.00 3.42 O ATOM 2188 CB HIS A 140 16.699 -14.313 0.766 1.00 43.42 C ATOM 2189 CG HIS A 140 18.005 -13.852 0.156 1.00 35.22 C ATOM 2190 ND1 HIS A 140 19.116 -14.664 0.064 1.00 72.33 N ATOM 2191 CD2 HIS A 140 18.372 -12.665 -0.399 1.00 11.40 C ATOM 2192 CE1 HIS A 140 20.098 -14.005 -0.514 1.00 1.32 C ATOM 2193 NE2 HIS A 140 19.677 -12.792 -0.807 1.00 30.01 N ATOM 0 H HIS A 140 14.293 -13.510 -0.764 1.00 13.41 H new ATOM 0 HA HIS A 140 16.254 -15.702 -0.852 1.00 43.02 H new ATOM 0 HB2 HIS A 140 16.205 -13.456 1.224 1.00 43.42 H new ATOM 0 HB3 HIS A 140 16.917 -15.020 1.566 1.00 43.42 H new ATOM 0 HD2 HIS A 140 17.752 -11.786 -0.500 1.00 11.40 H new ATOM 0 HE1 HIS A 140 21.085 -14.394 -0.715 1.00 1.32 H new ATOM 0 HE2 HIS A 140 20.230 -12.066 -1.262 1.00 30.01 H new ATOM 2202 N HIS A 141 14.656 -17.082 0.535 1.00 15.24 N ATOM 2203 CA HIS A 141 13.760 -17.951 1.345 1.00 11.11 C ATOM 2204 C HIS A 141 14.523 -18.522 2.560 1.00 71.41 C ATOM 2205 O HIS A 141 15.680 -18.948 2.437 1.00 43.20 O ATOM 2206 CB HIS A 141 13.196 -19.106 0.480 1.00 30.02 C ATOM 2207 CG HIS A 141 12.274 -18.647 -0.617 1.00 42.13 C ATOM 2208 ND1 HIS A 141 12.649 -18.579 -1.937 1.00 65.12 N ATOM 2209 CD2 HIS A 141 10.982 -18.239 -0.580 1.00 62.20 C ATOM 2210 CE1 HIS A 141 11.642 -18.149 -2.660 1.00 73.34 C ATOM 2211 NE2 HIS A 141 10.611 -17.935 -1.867 1.00 71.43 N ATOM 0 H HIS A 141 15.324 -17.604 -0.032 1.00 15.24 H new ATOM 0 HA HIS A 141 12.927 -17.347 1.704 1.00 11.11 H new ATOM 0 HB2 HIS A 141 14.027 -19.656 0.038 1.00 30.02 H new ATOM 0 HB3 HIS A 141 12.660 -19.803 1.125 1.00 30.02 H new ATOM 0 HD2 HIS A 141 10.359 -18.166 0.299 1.00 62.20 H new ATOM 0 HE1 HIS A 141 11.656 -17.996 -3.729 1.00 73.34 H new ATOM 0 HE2 HIS A 141 9.693 -17.600 -2.160 1.00 71.43 H new ATOM 2220 N HIS A 142 13.868 -18.534 3.732 1.00 4.14 N ATOM 2221 CA HIS A 142 14.487 -18.973 5.003 1.00 25.22 C ATOM 2222 C HIS A 142 13.535 -19.925 5.768 1.00 64.42 C ATOM 2223 O HIS A 142 12.373 -19.584 6.020 1.00 64.33 O ATOM 2224 CB HIS A 142 14.842 -17.728 5.860 1.00 34.32 C ATOM 2225 CG HIS A 142 15.581 -18.035 7.144 1.00 34.44 C ATOM 2226 ND1 HIS A 142 16.952 -18.176 7.210 1.00 41.11 N ATOM 2227 CD2 HIS A 142 15.133 -18.223 8.412 1.00 52.00 C ATOM 2228 CE1 HIS A 142 17.311 -18.435 8.450 1.00 23.22 C ATOM 2229 NE2 HIS A 142 16.231 -18.471 9.197 1.00 20.53 N ATOM 0 H HIS A 142 12.896 -18.241 3.830 1.00 4.14 H new ATOM 0 HA HIS A 142 15.403 -19.524 4.790 1.00 25.22 H new ATOM 0 HB2 HIS A 142 15.450 -17.052 5.259 1.00 34.32 H new ATOM 0 HB3 HIS A 142 13.922 -17.197 6.104 1.00 34.32 H new ATOM 0 HD2 HIS A 142 14.105 -18.185 8.741 1.00 52.00 H new ATOM 0 HE1 HIS A 142 18.322 -18.591 8.795 1.00 23.22 H new ATOM 0 HE2 HIS A 142 16.212 -18.654 10.200 1.00 20.53 H new ATOM 2238 N HIS A 143 14.052 -21.112 6.134 1.00 22.43 N ATOM 2239 CA HIS A 143 13.295 -22.144 6.875 1.00 31.20 C ATOM 2240 C HIS A 143 14.254 -22.972 7.759 1.00 52.11 C ATOM 2241 O HIS A 143 13.880 -23.466 8.830 1.00 42.42 O ATOM 2242 CB HIS A 143 12.529 -23.053 5.868 1.00 23.55 C ATOM 2243 CG HIS A 143 11.672 -24.128 6.494 1.00 75.44 C ATOM 2244 ND1 HIS A 143 10.384 -23.897 6.924 1.00 61.52 N ATOM 2245 CD2 HIS A 143 11.913 -25.442 6.745 1.00 40.22 C ATOM 2246 CE1 HIS A 143 9.874 -25.008 7.411 1.00 71.23 C ATOM 2247 NE2 HIS A 143 10.775 -25.959 7.313 1.00 72.42 N ATOM 0 H HIS A 143 15.012 -21.386 5.924 1.00 22.43 H new ATOM 0 HA HIS A 143 12.566 -21.665 7.529 1.00 31.20 H new ATOM 0 HB2 HIS A 143 11.895 -22.423 5.244 1.00 23.55 H new ATOM 0 HB3 HIS A 143 13.255 -23.528 5.208 1.00 23.55 H new ATOM 0 HD2 HIS A 143 12.827 -25.978 6.537 1.00 40.22 H new ATOM 0 HE1 HIS A 143 8.882 -25.119 7.822 1.00 71.23 H new ATOM 0 HE2 HIS A 143 10.649 -26.926 7.611 1.00 72.42 H new TER 2256 HIS A 143