USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 934 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 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 50 HIS : no HD1:sc= -0.673 K(o=-0.85,f=-6.7!) USER MOD Set 2.2: A 51 ASN :FLIP amide:sc= -0.179 F(o=-3.1!,f=-0.85) USER MOD Single : A 1 GLY N :NH3+ 167:sc= -0.0297 (180deg=-0.305) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -3.56! C(o=-3.6!,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -5.13! C(o=-5.1!,f=-5.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -0.534 F(o=-1.8,f=-0.53) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.52) USER MOD Single : A 45 CYS SG : rot -90:sc= -2.93! USER MOD Single : A 52 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.65) USER MOD Single : A 54 ASN : amide:sc= -0.966 K(o=-0.97,f=-1.6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 131:sc= 0.645 USER MOD Single : A 61 SER OG : rot -150:sc= -3.14! USER MOD Single : A 63 THR OG1 : rot 165:sc= -2.41 USER MOD Single : A 74 HIS : no HE2:sc= -20.1! C(o=-20!,f=-20!) USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= -1.4 (180deg=-3.22!) USER MOD Single : A 79 ASN : amide:sc= -0.594 K(o=-0.59,f=-1.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0585 USER MOD Single : A 94 ASN : amide:sc=-0.00192 X(o=-0.0019,f=-0.013) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc=-0.00269 X(o=-0.0027,f=-0.044) USER MOD Single : A 99 HIS : no HD1:sc= -5.94! C(o=-5.9!,f=-8.3!) USER MOD Single : A 101 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.24) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -176:sc= 0.0377 (180deg=0.036) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.512 -0.691 37.044 1.00 0.00 N ATOM 2 CA GLY A 1 18.680 -0.475 38.471 1.00 0.00 C ATOM 3 C GLY A 1 17.400 0.087 39.094 1.00 0.00 C ATOM 4 O GLY A 1 17.458 0.856 40.052 1.00 0.00 O ATOM 0 H1 GLY A 1 19.441 -0.859 36.607 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.901 -1.518 36.888 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.074 0.149 36.615 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.943 -1.415 38.956 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.506 0.215 38.643 1.00 0.00 H new ATOM 8 N ILE A 2 16.275 -0.321 38.526 1.00 0.00 N ATOM 9 CA ILE A 2 14.983 0.131 39.014 1.00 0.00 C ATOM 10 C ILE A 2 14.256 -1.039 39.679 1.00 0.00 C ATOM 11 O ILE A 2 14.398 -2.185 39.255 1.00 0.00 O ATOM 12 CB ILE A 2 14.186 0.791 37.887 1.00 0.00 C ATOM 13 CG1 ILE A 2 14.716 0.364 36.517 1.00 0.00 C ATOM 14 CG2 ILE A 2 14.168 2.313 38.045 1.00 0.00 C ATOM 15 CD1 ILE A 2 14.438 -1.118 36.259 1.00 0.00 C ATOM 0 H ILE A 2 16.231 -0.960 37.732 1.00 0.00 H new ATOM 0 HA ILE A 2 15.111 0.901 39.775 1.00 0.00 H new ATOM 0 HB ILE A 2 13.154 0.448 37.954 1.00 0.00 H new ATOM 0 HG12 ILE A 2 14.248 0.966 35.738 1.00 0.00 H new ATOM 0 HG13 ILE A 2 15.788 0.551 36.464 1.00 0.00 H new ATOM 0 HG21 ILE A 2 13.595 2.757 37.231 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.707 2.574 38.998 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.189 2.694 38.019 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.825 -1.395 35.278 1.00 0.00 H new ATOM 0 HD12 ILE A 2 14.927 -1.719 37.026 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.363 -1.297 36.289 1.00 0.00 H new ATOM 27 N PRO A 3 13.471 -0.701 40.737 1.00 0.00 N ATOM 28 CA PRO A 3 12.721 -1.711 41.465 1.00 0.00 C ATOM 29 C PRO A 3 11.502 -2.171 40.664 1.00 0.00 C ATOM 30 O PRO A 3 10.718 -2.993 41.137 1.00 0.00 O ATOM 31 CB PRO A 3 12.351 -1.051 42.784 1.00 0.00 C ATOM 32 CG PRO A 3 12.503 0.444 42.559 1.00 0.00 C ATOM 33 CD PRO A 3 13.279 0.645 41.268 1.00 0.00 C ATOM 0 HA PRO A 3 13.297 -2.620 41.638 1.00 0.00 H new ATOM 0 HB2 PRO A 3 11.330 -1.301 43.073 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.002 -1.393 43.588 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.525 0.922 42.495 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.028 0.904 43.396 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.727 1.272 40.568 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.234 1.138 41.453 1.00 0.00 H new ATOM 41 N ASP A 4 11.379 -1.621 39.465 1.00 0.00 N ATOM 42 CA ASP A 4 10.268 -1.965 38.594 1.00 0.00 C ATOM 43 C ASP A 4 10.806 -2.327 37.208 1.00 0.00 C ATOM 44 O ASP A 4 11.914 -1.935 36.846 1.00 0.00 O ATOM 45 CB ASP A 4 9.307 -0.785 38.434 1.00 0.00 C ATOM 46 CG ASP A 4 7.879 -1.164 38.039 1.00 0.00 C ATOM 47 OD1 ASP A 4 7.477 -2.297 38.381 1.00 0.00 O ATOM 48 OD2 ASP A 4 7.221 -0.311 37.405 1.00 0.00 O ATOM 0 H ASP A 4 12.031 -0.939 39.076 1.00 0.00 H new ATOM 0 HA ASP A 4 9.736 -2.805 39.041 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.274 -0.233 39.373 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.709 -0.108 37.680 1.00 0.00 H new ATOM 53 N LEU A 5 9.995 -3.072 36.470 1.00 0.00 N ATOM 54 CA LEU A 5 10.376 -3.491 35.132 1.00 0.00 C ATOM 55 C LEU A 5 11.481 -4.545 35.227 1.00 0.00 C ATOM 56 O LEU A 5 12.108 -4.885 34.225 1.00 0.00 O ATOM 57 CB LEU A 5 10.754 -2.280 34.277 1.00 0.00 C ATOM 58 CG LEU A 5 10.105 -0.952 34.672 1.00 0.00 C ATOM 59 CD1 LEU A 5 11.165 0.103 34.993 1.00 0.00 C ATOM 60 CD2 LEU A 5 9.130 -0.475 33.593 1.00 0.00 C ATOM 0 H LEU A 5 9.077 -3.396 36.773 1.00 0.00 H new ATOM 0 HA LEU A 5 9.531 -3.958 34.625 1.00 0.00 H new ATOM 0 HB2 LEU A 5 11.837 -2.158 34.314 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.493 -2.496 33.241 1.00 0.00 H new ATOM 0 HG LEU A 5 9.526 -1.113 35.581 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.676 1.037 35.271 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.784 -0.243 35.821 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.791 0.268 34.116 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.683 0.471 33.899 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.666 -0.336 32.654 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.346 -1.220 33.456 1.00 0.00 H new ATOM 72 N VAL A 6 11.685 -5.034 36.442 1.00 0.00 N ATOM 73 CA VAL A 6 12.703 -6.042 36.681 1.00 0.00 C ATOM 74 C VAL A 6 12.030 -7.353 37.095 1.00 0.00 C ATOM 75 O VAL A 6 11.062 -7.782 36.469 1.00 0.00 O ATOM 76 CB VAL A 6 13.710 -5.535 37.715 1.00 0.00 C ATOM 77 CG1 VAL A 6 14.962 -6.414 37.740 1.00 0.00 C ATOM 78 CG2 VAL A 6 14.073 -4.071 37.455 1.00 0.00 C ATOM 0 H VAL A 6 11.162 -4.751 37.271 1.00 0.00 H new ATOM 0 HA VAL A 6 13.266 -6.239 35.769 1.00 0.00 H new ATOM 0 HB VAL A 6 13.240 -5.595 38.697 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.661 -6.031 38.484 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.684 -7.436 37.996 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.435 -6.402 36.758 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.790 -3.735 38.204 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.514 -3.976 36.463 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.174 -3.457 37.513 1.00 0.00 H new ATOM 88 N LYS A 7 12.570 -7.951 38.146 1.00 0.00 N ATOM 89 CA LYS A 7 12.033 -9.204 38.651 1.00 0.00 C ATOM 90 C LYS A 7 11.595 -10.077 37.474 1.00 0.00 C ATOM 91 O LYS A 7 10.665 -10.872 37.598 1.00 0.00 O ATOM 92 CB LYS A 7 10.921 -8.939 39.668 1.00 0.00 C ATOM 93 CG LYS A 7 11.069 -7.551 40.294 1.00 0.00 C ATOM 94 CD LYS A 7 12.366 -7.448 41.099 1.00 0.00 C ATOM 95 CE LYS A 7 12.202 -8.075 42.485 1.00 0.00 C ATOM 96 NZ LYS A 7 13.111 -7.428 43.457 1.00 0.00 N ATOM 0 H LYS A 7 13.373 -7.592 38.662 1.00 0.00 H new ATOM 0 HA LYS A 7 12.801 -9.758 39.191 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.950 -9.020 39.180 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.949 -9.699 40.449 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.061 -6.792 39.511 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.217 -7.348 40.943 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.172 -7.949 40.562 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.653 -6.401 41.201 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.169 -7.970 42.818 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.414 -9.143 42.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.987 -7.865 44.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.096 -7.550 43.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.890 -6.414 43.517 1.00 0.00 H new ATOM 110 N GLY A 8 12.286 -9.900 36.357 1.00 0.00 N ATOM 111 CA GLY A 8 11.980 -10.662 35.159 1.00 0.00 C ATOM 112 C GLY A 8 11.751 -9.735 33.963 1.00 0.00 C ATOM 113 O GLY A 8 10.610 -9.470 33.588 1.00 0.00 O ATOM 0 H GLY A 8 13.057 -9.240 36.257 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.799 -11.348 34.941 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.091 -11.270 35.328 1.00 0.00 H new ATOM 117 N PRO A 9 12.884 -9.255 33.383 1.00 0.00 N ATOM 118 CA PRO A 9 12.818 -8.364 32.238 1.00 0.00 C ATOM 119 C PRO A 9 12.451 -9.131 30.966 1.00 0.00 C ATOM 120 O PRO A 9 13.098 -10.120 30.624 1.00 0.00 O ATOM 121 CB PRO A 9 14.191 -7.716 32.164 1.00 0.00 C ATOM 122 CG PRO A 9 15.116 -8.605 32.979 1.00 0.00 C ATOM 123 CD PRO A 9 14.252 -9.548 33.801 1.00 0.00 C ATOM 0 HA PRO A 9 12.039 -7.608 32.339 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.532 -7.640 31.131 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.167 -6.704 32.567 1.00 0.00 H new ATOM 0 HG2 PRO A 9 15.779 -9.169 32.323 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.749 -8.002 33.630 1.00 0.00 H new ATOM 0 HD2 PRO A 9 14.510 -10.590 33.610 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.385 -9.377 34.869 1.00 0.00 H new ATOM 131 N TRP A 10 11.413 -8.646 30.300 1.00 0.00 N ATOM 132 CA TRP A 10 10.952 -9.274 29.073 1.00 0.00 C ATOM 133 C TRP A 10 11.975 -8.975 27.975 1.00 0.00 C ATOM 134 O TRP A 10 12.403 -7.833 27.816 1.00 0.00 O ATOM 135 CB TRP A 10 9.539 -8.808 28.717 1.00 0.00 C ATOM 136 CG TRP A 10 8.483 -9.164 29.765 1.00 0.00 C ATOM 137 CD1 TRP A 10 8.538 -8.973 31.090 1.00 0.00 C ATOM 138 CD2 TRP A 10 7.203 -9.785 29.520 1.00 0.00 C ATOM 139 NE1 TRP A 10 7.393 -9.424 31.715 1.00 0.00 N ATOM 140 CE2 TRP A 10 6.555 -9.933 30.729 1.00 0.00 C ATOM 141 CE3 TRP A 10 6.613 -10.207 28.316 1.00 0.00 C ATOM 142 CZ2 TRP A 10 5.283 -10.504 30.852 1.00 0.00 C ATOM 143 CZ3 TRP A 10 5.341 -10.776 28.456 1.00 0.00 C ATOM 144 CH2 TRP A 10 4.676 -10.933 29.666 1.00 0.00 C ATOM 0 H TRP A 10 10.878 -7.826 30.587 1.00 0.00 H new ATOM 0 HA TRP A 10 10.880 -10.355 29.196 1.00 0.00 H new ATOM 0 HB2 TRP A 10 9.548 -7.727 28.578 1.00 0.00 H new ATOM 0 HB3 TRP A 10 9.252 -9.249 27.763 1.00 0.00 H new ATOM 0 HD1 TRP A 10 9.374 -8.522 31.605 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.198 -9.390 32.716 1.00 0.00 H new ATOM 0 HE3 TRP A 10 7.102 -10.101 27.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 4.796 -10.608 31.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.842 -11.117 27.561 1.00 0.00 H new ATOM 0 HH2 TRP A 10 3.695 -11.384 29.691 1.00 0.00 H new ATOM 155 N THR A 11 12.336 -10.021 27.247 1.00 0.00 N ATOM 156 CA THR A 11 13.300 -9.885 26.169 1.00 0.00 C ATOM 157 C THR A 11 12.677 -10.313 24.839 1.00 0.00 C ATOM 158 O THR A 11 11.457 -10.414 24.725 1.00 0.00 O ATOM 159 CB THR A 11 14.546 -10.690 26.544 1.00 0.00 C ATOM 160 OG1 THR A 11 14.093 -12.041 26.561 1.00 0.00 O ATOM 161 CG2 THR A 11 15.000 -10.431 27.981 1.00 0.00 C ATOM 0 H THR A 11 11.978 -10.966 27.383 1.00 0.00 H new ATOM 0 HA THR A 11 13.597 -8.845 26.033 1.00 0.00 H new ATOM 0 HB THR A 11 15.357 -10.445 25.858 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.838 -12.633 26.794 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.887 -11.027 28.195 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.235 -9.374 28.103 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.202 -10.708 28.670 1.00 0.00 H new ATOM 169 N LYS A 12 13.544 -10.553 23.866 1.00 0.00 N ATOM 170 CA LYS A 12 13.094 -10.968 22.548 1.00 0.00 C ATOM 171 C LYS A 12 12.032 -12.059 22.697 1.00 0.00 C ATOM 172 O LYS A 12 10.890 -11.880 22.277 1.00 0.00 O ATOM 173 CB LYS A 12 14.285 -11.383 21.681 1.00 0.00 C ATOM 174 CG LYS A 12 13.839 -11.700 20.252 1.00 0.00 C ATOM 175 CD LYS A 12 13.906 -13.204 19.978 1.00 0.00 C ATOM 176 CE LYS A 12 14.610 -13.488 18.650 1.00 0.00 C ATOM 177 NZ LYS A 12 13.712 -13.188 17.513 1.00 0.00 N ATOM 0 H LYS A 12 14.556 -10.468 23.964 1.00 0.00 H new ATOM 0 HA LYS A 12 12.624 -10.134 22.026 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.025 -10.583 21.666 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.770 -12.257 22.117 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.821 -11.344 20.097 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.474 -11.169 19.543 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.437 -13.702 20.789 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.898 -13.619 19.955 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.515 -12.885 18.575 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.919 -14.533 18.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.205 -13.386 16.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.860 -13.781 17.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.438 -12.185 17.542 1.00 0.00 H new ATOM 191 N GLU A 13 12.447 -13.166 23.296 1.00 0.00 N ATOM 192 CA GLU A 13 11.545 -14.286 23.505 1.00 0.00 C ATOM 193 C GLU A 13 10.190 -13.789 24.011 1.00 0.00 C ATOM 194 O GLU A 13 9.146 -14.281 23.585 1.00 0.00 O ATOM 195 CB GLU A 13 12.152 -15.305 24.473 1.00 0.00 C ATOM 196 CG GLU A 13 11.065 -15.972 25.318 1.00 0.00 C ATOM 197 CD GLU A 13 11.482 -17.386 25.729 1.00 0.00 C ATOM 198 OE1 GLU A 13 11.248 -18.306 24.916 1.00 0.00 O ATOM 199 OE2 GLU A 13 12.025 -17.515 26.848 1.00 0.00 O ATOM 0 H GLU A 13 13.395 -13.311 23.643 1.00 0.00 H new ATOM 0 HA GLU A 13 11.392 -14.788 22.549 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.699 -16.063 23.913 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.872 -14.809 25.125 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.872 -15.373 26.208 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.134 -16.013 24.753 1.00 0.00 H new ATOM 206 N GLU A 14 10.250 -12.821 24.914 1.00 0.00 N ATOM 207 CA GLU A 14 9.039 -12.252 25.482 1.00 0.00 C ATOM 208 C GLU A 14 8.260 -11.485 24.412 1.00 0.00 C ATOM 209 O GLU A 14 7.039 -11.606 24.322 1.00 0.00 O ATOM 210 CB GLU A 14 9.365 -11.351 26.675 1.00 0.00 C ATOM 211 CG GLU A 14 9.475 -12.167 27.965 1.00 0.00 C ATOM 212 CD GLU A 14 10.856 -12.814 28.088 1.00 0.00 C ATOM 213 OE1 GLU A 14 11.296 -13.410 27.080 1.00 0.00 O ATOM 214 OE2 GLU A 14 11.441 -12.699 29.186 1.00 0.00 O ATOM 0 H GLU A 14 11.118 -12.416 25.266 1.00 0.00 H new ATOM 0 HA GLU A 14 8.413 -13.067 25.844 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.302 -10.825 26.492 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.590 -10.593 26.785 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.294 -11.522 28.824 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.705 -12.939 27.978 1.00 0.00 H new ATOM 221 N ASP A 15 8.997 -10.712 23.629 1.00 0.00 N ATOM 222 CA ASP A 15 8.390 -9.925 22.569 1.00 0.00 C ATOM 223 C ASP A 15 7.715 -10.863 21.566 1.00 0.00 C ATOM 224 O ASP A 15 6.506 -10.784 21.354 1.00 0.00 O ATOM 225 CB ASP A 15 9.443 -9.109 21.817 1.00 0.00 C ATOM 226 CG ASP A 15 9.781 -7.754 22.444 1.00 0.00 C ATOM 227 OD1 ASP A 15 10.519 -7.764 23.452 1.00 0.00 O ATOM 228 OD2 ASP A 15 9.292 -6.740 21.901 1.00 0.00 O ATOM 0 H ASP A 15 10.009 -10.614 23.707 1.00 0.00 H new ATOM 0 HA ASP A 15 7.666 -9.249 23.024 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.357 -9.699 21.748 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.093 -8.944 20.798 1.00 0.00 H new ATOM 233 N GLN A 16 8.525 -11.730 20.976 1.00 0.00 N ATOM 234 CA GLN A 16 8.021 -12.682 20.001 1.00 0.00 C ATOM 235 C GLN A 16 6.733 -13.332 20.511 1.00 0.00 C ATOM 236 O GLN A 16 5.909 -13.787 19.720 1.00 0.00 O ATOM 237 CB GLN A 16 9.076 -13.739 19.672 1.00 0.00 C ATOM 238 CG GLN A 16 9.853 -14.148 20.925 1.00 0.00 C ATOM 239 CD GLN A 16 9.627 -15.625 21.253 1.00 0.00 C ATOM 240 OE1 GLN A 16 8.637 -16.009 21.855 1.00 0.00 O ATOM 241 NE2 GLN A 16 10.596 -16.429 20.827 1.00 0.00 N ATOM 0 H GLN A 16 9.527 -11.793 21.155 1.00 0.00 H new ATOM 0 HA GLN A 16 7.793 -12.145 19.080 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.595 -14.615 19.236 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.766 -13.349 18.924 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.917 -13.964 20.774 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.540 -13.533 21.768 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.398 -16.042 20.329 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.538 -17.433 20.998 1.00 0.00 H new ATOM 250 N LYS A 17 6.601 -13.354 21.829 1.00 0.00 N ATOM 251 CA LYS A 17 5.428 -13.941 22.454 1.00 0.00 C ATOM 252 C LYS A 17 4.189 -13.132 22.062 1.00 0.00 C ATOM 253 O LYS A 17 3.234 -13.680 21.513 1.00 0.00 O ATOM 254 CB LYS A 17 5.630 -14.063 23.965 1.00 0.00 C ATOM 255 CG LYS A 17 4.787 -15.203 24.541 1.00 0.00 C ATOM 256 CD LYS A 17 4.274 -14.854 25.939 1.00 0.00 C ATOM 257 CE LYS A 17 4.705 -15.908 26.961 1.00 0.00 C ATOM 258 NZ LYS A 17 3.886 -17.132 26.819 1.00 0.00 N ATOM 0 H LYS A 17 7.287 -12.975 22.481 1.00 0.00 H new ATOM 0 HA LYS A 17 5.273 -14.958 22.094 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.684 -14.240 24.181 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.358 -13.125 24.449 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.944 -15.406 23.881 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.383 -16.114 24.586 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.655 -13.877 26.236 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.187 -14.781 25.923 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.759 -16.150 26.821 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.601 -15.509 27.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.191 -17.837 27.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.884 -16.900 26.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.006 -17.521 25.862 1.00 0.00 H new ATOM 272 N VAL A 18 4.245 -11.843 22.360 1.00 0.00 N ATOM 273 CA VAL A 18 3.139 -10.953 22.047 1.00 0.00 C ATOM 274 C VAL A 18 2.631 -11.257 20.636 1.00 0.00 C ATOM 275 O VAL A 18 1.440 -11.491 20.438 1.00 0.00 O ATOM 276 CB VAL A 18 3.572 -9.497 22.226 1.00 0.00 C ATOM 277 CG1 VAL A 18 2.741 -8.565 21.341 1.00 0.00 C ATOM 278 CG2 VAL A 18 3.490 -9.077 23.695 1.00 0.00 C ATOM 0 H VAL A 18 5.039 -11.393 22.815 1.00 0.00 H new ATOM 0 HA VAL A 18 2.309 -11.117 22.734 1.00 0.00 H new ATOM 0 HB VAL A 18 4.613 -9.416 21.913 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.069 -7.536 21.487 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.873 -8.843 20.295 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.688 -8.652 21.609 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.803 -8.038 23.794 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.464 -9.182 24.047 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.145 -9.712 24.292 1.00 0.00 H new ATOM 288 N ILE A 19 3.560 -11.243 19.691 1.00 0.00 N ATOM 289 CA ILE A 19 3.221 -11.514 18.304 1.00 0.00 C ATOM 290 C ILE A 19 2.545 -12.883 18.207 1.00 0.00 C ATOM 291 O ILE A 19 1.666 -13.088 17.371 1.00 0.00 O ATOM 292 CB ILE A 19 4.457 -11.374 17.413 1.00 0.00 C ATOM 293 CG1 ILE A 19 4.790 -9.901 17.166 1.00 0.00 C ATOM 294 CG2 ILE A 19 4.281 -12.149 16.106 1.00 0.00 C ATOM 295 CD1 ILE A 19 4.475 -9.053 18.400 1.00 0.00 C ATOM 0 H ILE A 19 4.547 -11.048 19.859 1.00 0.00 H new ATOM 0 HA ILE A 19 2.506 -10.778 17.936 1.00 0.00 H new ATOM 0 HB ILE A 19 5.307 -11.813 17.935 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.845 -9.801 16.911 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.220 -9.534 16.313 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.173 -12.033 15.491 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.128 -13.205 16.327 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.416 -11.762 15.567 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.721 -8.011 18.198 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.414 -9.136 18.638 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.065 -9.407 19.245 1.00 0.00 H new ATOM 307 N GLU A 20 2.981 -13.786 19.074 1.00 0.00 N ATOM 308 CA GLU A 20 2.429 -15.130 19.096 1.00 0.00 C ATOM 309 C GLU A 20 1.130 -15.157 19.904 1.00 0.00 C ATOM 310 O GLU A 20 0.353 -16.105 19.805 1.00 0.00 O ATOM 311 CB GLU A 20 3.443 -16.130 19.655 1.00 0.00 C ATOM 312 CG GLU A 20 3.746 -17.231 18.637 1.00 0.00 C ATOM 313 CD GLU A 20 4.748 -18.239 19.202 1.00 0.00 C ATOM 314 OE1 GLU A 20 5.741 -17.776 19.804 1.00 0.00 O ATOM 315 OE2 GLU A 20 4.499 -19.451 19.020 1.00 0.00 O ATOM 0 H GLU A 20 3.710 -13.613 19.766 1.00 0.00 H new ATOM 0 HA GLU A 20 2.203 -15.426 18.072 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.364 -15.610 19.919 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.054 -16.574 20.571 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.823 -17.744 18.365 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.146 -16.788 17.725 1.00 0.00 H new ATOM 322 N LEU A 21 0.934 -14.104 20.684 1.00 0.00 N ATOM 323 CA LEU A 21 -0.258 -13.995 21.508 1.00 0.00 C ATOM 324 C LEU A 21 -1.406 -13.434 20.666 1.00 0.00 C ATOM 325 O LEU A 21 -2.522 -13.948 20.711 1.00 0.00 O ATOM 326 CB LEU A 21 0.035 -13.179 22.769 1.00 0.00 C ATOM 327 CG LEU A 21 0.504 -13.975 23.989 1.00 0.00 C ATOM 328 CD1 LEU A 21 1.653 -13.259 24.701 1.00 0.00 C ATOM 329 CD2 LEU A 21 -0.663 -14.268 24.934 1.00 0.00 C ATOM 0 H LEU A 21 1.580 -13.319 20.763 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.570 -14.979 21.858 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.797 -12.437 22.529 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.868 -12.632 23.042 1.00 0.00 H new ATOM 0 HG LEU A 21 0.887 -14.935 23.644 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.968 -13.845 25.564 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.492 -13.145 24.014 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.319 -12.276 25.032 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.303 -14.835 25.793 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.099 -13.329 25.276 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.420 -14.849 24.408 1.00 0.00 H new ATOM 341 N VAL A 22 -1.091 -12.387 19.917 1.00 0.00 N ATOM 342 CA VAL A 22 -2.082 -11.751 19.065 1.00 0.00 C ATOM 343 C VAL A 22 -2.474 -12.712 17.941 1.00 0.00 C ATOM 344 O VAL A 22 -3.622 -12.721 17.500 1.00 0.00 O ATOM 345 CB VAL A 22 -1.548 -10.414 18.550 1.00 0.00 C ATOM 346 CG1 VAL A 22 -2.691 -9.506 18.091 1.00 0.00 C ATOM 347 CG2 VAL A 22 -0.689 -9.721 19.610 1.00 0.00 C ATOM 0 H VAL A 22 -0.164 -11.963 19.882 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.986 -11.528 19.631 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.915 -10.617 17.686 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.283 -8.562 17.730 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.243 -9.994 17.288 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.362 -9.314 18.928 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.322 -8.773 19.218 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.289 -9.537 20.501 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.157 -10.359 19.867 1.00 0.00 H new ATOM 357 N LYS A 23 -1.498 -13.497 17.510 1.00 0.00 N ATOM 358 CA LYS A 23 -1.727 -14.459 16.445 1.00 0.00 C ATOM 359 C LYS A 23 -2.599 -15.601 16.974 1.00 0.00 C ATOM 360 O LYS A 23 -3.440 -16.130 16.250 1.00 0.00 O ATOM 361 CB LYS A 23 -0.397 -14.926 15.850 1.00 0.00 C ATOM 362 CG LYS A 23 0.134 -16.155 16.591 1.00 0.00 C ATOM 363 CD LYS A 23 -0.440 -17.444 15.998 1.00 0.00 C ATOM 364 CE LYS A 23 0.643 -18.243 15.270 1.00 0.00 C ATOM 365 NZ LYS A 23 0.096 -19.526 14.775 1.00 0.00 N ATOM 0 H LYS A 23 -0.547 -13.487 17.879 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.272 -13.995 15.623 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.530 -15.163 14.794 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.334 -14.119 15.906 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.222 -16.177 16.533 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.128 -16.088 17.647 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.874 -18.052 16.792 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.246 -17.202 15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.033 -17.661 14.435 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.478 -18.433 15.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.844 -20.056 14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.255 -20.087 15.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.686 -19.339 14.115 1.00 0.00 H new ATOM 379 N LYS A 24 -2.367 -15.945 18.232 1.00 0.00 N ATOM 380 CA LYS A 24 -3.121 -17.014 18.866 1.00 0.00 C ATOM 381 C LYS A 24 -4.455 -16.461 19.371 1.00 0.00 C ATOM 382 O LYS A 24 -5.432 -17.198 19.488 1.00 0.00 O ATOM 383 CB LYS A 24 -2.282 -17.688 19.954 1.00 0.00 C ATOM 384 CG LYS A 24 -2.890 -19.033 20.359 1.00 0.00 C ATOM 385 CD LYS A 24 -3.790 -18.880 21.586 1.00 0.00 C ATOM 386 CE LYS A 24 -2.958 -18.732 22.862 1.00 0.00 C ATOM 387 NZ LYS A 24 -3.792 -18.990 24.057 1.00 0.00 N ATOM 0 H LYS A 24 -1.668 -15.503 18.829 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.354 -17.797 18.144 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.265 -17.838 19.593 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.218 -17.036 20.825 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.467 -19.440 19.529 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.094 -19.746 20.574 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.433 -18.008 21.464 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.444 -19.748 21.672 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.119 -19.428 22.839 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.537 -17.728 22.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.212 -18.885 24.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.578 -18.309 24.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.173 -19.957 24.012 1.00 0.00 H new ATOM 401 N TYR A 25 -4.452 -15.167 19.658 1.00 0.00 N ATOM 402 CA TYR A 25 -5.650 -14.507 20.148 1.00 0.00 C ATOM 403 C TYR A 25 -6.551 -14.075 18.990 1.00 0.00 C ATOM 404 O TYR A 25 -7.726 -14.437 18.945 1.00 0.00 O ATOM 405 CB TYR A 25 -5.169 -13.262 20.896 1.00 0.00 C ATOM 406 CG TYR A 25 -4.741 -13.529 22.340 1.00 0.00 C ATOM 407 CD1 TYR A 25 -4.275 -14.777 22.702 1.00 0.00 C ATOM 408 CD2 TYR A 25 -4.822 -12.523 23.281 1.00 0.00 C ATOM 409 CE1 TYR A 25 -3.873 -15.029 24.062 1.00 0.00 C ATOM 410 CE2 TYR A 25 -4.419 -12.775 24.641 1.00 0.00 C ATOM 411 CZ TYR A 25 -3.965 -14.015 24.964 1.00 0.00 C ATOM 412 OH TYR A 25 -3.585 -14.253 26.248 1.00 0.00 O ATOM 0 H TYR A 25 -3.639 -14.559 19.561 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.226 -15.180 20.783 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.329 -12.827 20.354 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.967 -12.520 20.896 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.212 -15.564 21.966 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.187 -11.547 22.998 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.507 -16.001 24.359 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.476 -11.996 25.387 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.704 -13.439 26.780 1.00 0.00 H new ATOM 422 N GLY A 26 -5.967 -13.308 18.082 1.00 0.00 N ATOM 423 CA GLY A 26 -6.703 -12.823 16.926 1.00 0.00 C ATOM 424 C GLY A 26 -7.945 -12.041 17.356 1.00 0.00 C ATOM 425 O GLY A 26 -8.977 -12.632 17.669 1.00 0.00 O ATOM 0 H GLY A 26 -4.992 -13.010 18.123 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.058 -12.185 16.321 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.998 -13.664 16.299 1.00 0.00 H new ATOM 429 N THR A 27 -7.805 -10.724 17.357 1.00 0.00 N ATOM 430 CA THR A 27 -8.903 -9.854 17.744 1.00 0.00 C ATOM 431 C THR A 27 -8.385 -8.452 18.067 1.00 0.00 C ATOM 432 O THR A 27 -8.767 -7.480 17.417 1.00 0.00 O ATOM 433 CB THR A 27 -9.640 -10.514 18.911 1.00 0.00 C ATOM 434 OG1 THR A 27 -10.190 -9.419 19.638 1.00 0.00 O ATOM 435 CG2 THR A 27 -8.686 -11.179 19.906 1.00 0.00 C ATOM 0 H THR A 27 -6.947 -10.237 17.096 1.00 0.00 H new ATOM 0 HA THR A 27 -9.611 -9.723 16.926 1.00 0.00 H new ATOM 0 HB THR A 27 -10.338 -11.257 18.525 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.687 -9.757 20.412 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.261 -11.632 20.714 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.108 -11.949 19.396 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.009 -10.430 20.317 1.00 0.00 H new ATOM 443 N LYS A 28 -7.523 -8.391 19.071 1.00 0.00 N ATOM 444 CA LYS A 28 -6.948 -7.123 19.489 1.00 0.00 C ATOM 445 C LYS A 28 -6.051 -7.352 20.707 1.00 0.00 C ATOM 446 O LYS A 28 -4.831 -7.440 20.575 1.00 0.00 O ATOM 447 CB LYS A 28 -8.049 -6.087 19.722 1.00 0.00 C ATOM 448 CG LYS A 28 -7.984 -4.972 18.675 1.00 0.00 C ATOM 449 CD LYS A 28 -9.378 -4.415 18.380 1.00 0.00 C ATOM 450 CE LYS A 28 -9.289 -3.023 17.752 1.00 0.00 C ATOM 451 NZ LYS A 28 -9.325 -1.978 18.801 1.00 0.00 N ATOM 0 H LYS A 28 -7.208 -9.199 19.608 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.317 -6.712 18.701 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.024 -6.572 19.682 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.946 -5.660 20.720 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.336 -4.171 19.031 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.540 -5.356 17.757 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.908 -5.089 17.707 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.957 -4.366 19.302 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.368 -2.936 17.175 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.116 -2.878 17.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.264 -1.039 18.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.215 -2.052 19.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.522 -2.108 19.449 1.00 0.00 H new ATOM 465 N GLN A 29 -6.689 -7.440 21.864 1.00 0.00 N ATOM 466 CA GLN A 29 -5.964 -7.656 23.104 1.00 0.00 C ATOM 467 C GLN A 29 -4.676 -6.831 23.117 1.00 0.00 C ATOM 468 O GLN A 29 -3.603 -7.353 23.415 1.00 0.00 O ATOM 469 CB GLN A 29 -5.665 -9.142 23.313 1.00 0.00 C ATOM 470 CG GLN A 29 -6.953 -9.967 23.305 1.00 0.00 C ATOM 471 CD GLN A 29 -6.984 -10.947 24.481 1.00 0.00 C ATOM 472 OE1 GLN A 29 -6.552 -10.648 25.582 1.00 0.00 O ATOM 473 NE2 GLN A 29 -7.517 -12.129 24.186 1.00 0.00 N ATOM 0 H GLN A 29 -7.701 -7.366 21.969 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.592 -7.326 23.931 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.997 -9.496 22.528 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.145 -9.282 24.261 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.815 -9.302 23.358 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.031 -10.516 22.367 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.860 -12.313 23.243 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.583 -12.852 24.903 1.00 0.00 H new ATOM 482 N TRP A 30 -4.825 -5.556 22.789 1.00 0.00 N ATOM 483 CA TRP A 30 -3.687 -4.653 22.759 1.00 0.00 C ATOM 484 C TRP A 30 -3.213 -4.441 24.198 1.00 0.00 C ATOM 485 O TRP A 30 -2.162 -3.844 24.428 1.00 0.00 O ATOM 486 CB TRP A 30 -4.043 -3.345 22.049 1.00 0.00 C ATOM 487 CG TRP A 30 -3.757 -3.355 20.546 1.00 0.00 C ATOM 488 CD1 TRP A 30 -4.636 -3.263 19.538 1.00 0.00 C ATOM 489 CD2 TRP A 30 -2.463 -3.468 19.918 1.00 0.00 C ATOM 490 NE1 TRP A 30 -4.005 -3.308 18.312 1.00 0.00 N ATOM 491 CE2 TRP A 30 -2.641 -3.436 18.550 1.00 0.00 C ATOM 492 CE3 TRP A 30 -1.183 -3.593 20.487 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -1.584 -3.524 17.637 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -0.137 -3.679 19.561 1.00 0.00 C ATOM 495 CH2 TRP A 30 -0.300 -3.649 18.181 1.00 0.00 C ATOM 0 H TRP A 30 -5.717 -5.127 22.542 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.869 -5.084 22.182 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -5.101 -3.135 22.206 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.484 -2.530 22.509 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.704 -3.166 19.669 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.456 -3.257 17.399 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.020 -3.620 21.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.750 -3.497 16.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.867 -3.775 19.946 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.560 -3.722 17.531 1.00 0.00 H new ATOM 506 N THR A 31 -4.010 -4.943 25.130 1.00 0.00 N ATOM 507 CA THR A 31 -3.685 -4.817 26.540 1.00 0.00 C ATOM 508 C THR A 31 -2.615 -5.837 26.935 1.00 0.00 C ATOM 509 O THR A 31 -1.731 -5.537 27.735 1.00 0.00 O ATOM 510 CB THR A 31 -4.983 -4.957 27.339 1.00 0.00 C ATOM 511 OG1 THR A 31 -5.071 -3.740 28.075 1.00 0.00 O ATOM 512 CG2 THR A 31 -4.892 -6.039 28.417 1.00 0.00 C ATOM 0 H THR A 31 -4.880 -5.438 24.936 1.00 0.00 H new ATOM 0 HA THR A 31 -3.254 -3.840 26.760 1.00 0.00 H new ATOM 0 HB THR A 31 -5.804 -5.188 26.660 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.886 -3.745 28.620 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.838 -6.098 28.954 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.680 -7.001 27.950 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.093 -5.790 29.115 1.00 0.00 H new ATOM 520 N LEU A 32 -2.731 -7.022 26.354 1.00 0.00 N ATOM 521 CA LEU A 32 -1.785 -8.089 26.635 1.00 0.00 C ATOM 522 C LEU A 32 -0.394 -7.669 26.156 1.00 0.00 C ATOM 523 O LEU A 32 0.560 -7.667 26.933 1.00 0.00 O ATOM 524 CB LEU A 32 -2.271 -9.408 26.032 1.00 0.00 C ATOM 525 CG LEU A 32 -1.716 -9.758 24.649 1.00 0.00 C ATOM 526 CD1 LEU A 32 -0.212 -10.027 24.714 1.00 0.00 C ATOM 527 CD2 LEU A 32 -2.482 -10.930 24.032 1.00 0.00 C ATOM 0 H LEU A 32 -3.465 -7.267 25.690 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.714 -8.263 27.709 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.015 -10.215 26.719 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.359 -9.376 25.968 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.861 -8.898 23.995 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.157 -10.273 23.718 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.301 -9.138 25.082 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.020 -10.861 25.389 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.068 -11.159 23.050 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.391 -11.804 24.677 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.534 -10.663 23.929 1.00 0.00 H new ATOM 539 N ILE A 33 -0.321 -7.323 24.879 1.00 0.00 N ATOM 540 CA ILE A 33 0.937 -6.902 24.288 1.00 0.00 C ATOM 541 C ILE A 33 1.701 -6.033 25.289 1.00 0.00 C ATOM 542 O ILE A 33 2.812 -6.373 25.692 1.00 0.00 O ATOM 543 CB ILE A 33 0.695 -6.220 22.940 1.00 0.00 C ATOM 544 CG1 ILE A 33 0.147 -7.214 21.913 1.00 0.00 C ATOM 545 CG2 ILE A 33 1.962 -5.522 22.443 1.00 0.00 C ATOM 546 CD1 ILE A 33 -1.383 -7.225 21.923 1.00 0.00 C ATOM 0 H ILE A 33 -1.114 -7.326 24.237 1.00 0.00 H new ATOM 0 HA ILE A 33 1.564 -7.767 24.073 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.063 -5.449 23.078 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.506 -6.950 20.918 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.523 -8.213 22.132 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.762 -5.045 21.483 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.269 -4.767 23.166 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.759 -6.256 22.325 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.747 -7.939 21.184 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.738 -7.513 22.912 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.756 -6.230 21.679 1.00 0.00 H new ATOM 558 N ALA A 34 1.074 -4.926 25.661 1.00 0.00 N ATOM 559 CA ALA A 34 1.680 -4.005 26.607 1.00 0.00 C ATOM 560 C ALA A 34 1.857 -4.708 27.954 1.00 0.00 C ATOM 561 O ALA A 34 2.982 -4.909 28.411 1.00 0.00 O ATOM 562 CB ALA A 34 0.819 -2.745 26.716 1.00 0.00 C ATOM 0 H ALA A 34 0.153 -4.647 25.324 1.00 0.00 H new ATOM 0 HA ALA A 34 2.667 -3.697 26.264 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.274 -2.054 27.426 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.748 -2.267 25.739 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.179 -3.015 27.061 1.00 0.00 H new ATOM 568 N LYS A 35 0.730 -5.062 28.554 1.00 0.00 N ATOM 569 CA LYS A 35 0.747 -5.738 29.840 1.00 0.00 C ATOM 570 C LYS A 35 1.826 -6.823 29.827 1.00 0.00 C ATOM 571 O LYS A 35 2.351 -7.193 30.876 1.00 0.00 O ATOM 572 CB LYS A 35 -0.648 -6.263 30.187 1.00 0.00 C ATOM 573 CG LYS A 35 -0.766 -6.556 31.684 1.00 0.00 C ATOM 574 CD LYS A 35 -0.037 -7.852 32.048 1.00 0.00 C ATOM 575 CE LYS A 35 -1.001 -8.872 32.656 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.058 -8.719 34.127 1.00 0.00 N ATOM 0 H LYS A 35 -0.201 -4.893 28.173 1.00 0.00 H new ATOM 0 HA LYS A 35 1.007 -5.039 30.635 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.400 -5.529 29.896 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.851 -7.170 29.618 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.348 -5.727 32.255 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.817 -6.636 31.961 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.429 -8.273 31.157 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.764 -7.636 32.756 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.996 -8.738 32.232 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.679 -9.882 32.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.717 -9.419 34.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.110 -8.869 34.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.387 -7.761 34.364 1.00 0.00 H new ATOM 590 N HIS A 36 2.124 -7.302 28.628 1.00 0.00 N ATOM 591 CA HIS A 36 3.131 -8.336 28.465 1.00 0.00 C ATOM 592 C HIS A 36 4.511 -7.691 28.322 1.00 0.00 C ATOM 593 O HIS A 36 5.422 -7.988 29.093 1.00 0.00 O ATOM 594 CB HIS A 36 2.782 -9.255 27.292 1.00 0.00 C ATOM 595 CG HIS A 36 1.796 -10.345 27.639 1.00 0.00 C ATOM 596 ND1 HIS A 36 0.481 -10.277 27.994 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 2.133 -11.687 27.642 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 0.038 -11.511 28.202 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 1.061 -12.387 27.984 1.00 0.00 N flip ATOM 0 H HIS A 36 1.686 -6.993 27.760 1.00 0.00 H new ATOM 0 HA HIS A 36 3.154 -8.969 29.352 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.372 -8.653 26.481 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.697 -9.713 26.917 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.105 -12.095 27.406 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.967 -11.778 28.495 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.010 -13.402 28.069 1.00 0.00 H new ATOM 607 N LEU A 37 4.622 -6.821 27.328 1.00 0.00 N ATOM 608 CA LEU A 37 5.876 -6.132 27.074 1.00 0.00 C ATOM 609 C LEU A 37 5.739 -4.665 27.486 1.00 0.00 C ATOM 610 O LEU A 37 4.875 -3.952 26.977 1.00 0.00 O ATOM 611 CB LEU A 37 6.308 -6.325 25.619 1.00 0.00 C ATOM 612 CG LEU A 37 6.114 -7.729 25.042 1.00 0.00 C ATOM 613 CD1 LEU A 37 5.989 -7.683 23.518 1.00 0.00 C ATOM 614 CD2 LEU A 37 7.234 -8.667 25.497 1.00 0.00 C ATOM 0 H LEU A 37 3.865 -6.578 26.690 1.00 0.00 H new ATOM 0 HA LEU A 37 6.676 -6.560 27.679 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.754 -5.620 25.000 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.363 -6.062 25.536 1.00 0.00 H new ATOM 0 HG LEU A 37 5.178 -8.132 25.430 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.852 -8.694 23.133 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.131 -7.070 23.242 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.895 -7.252 23.091 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.073 -9.658 25.073 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.194 -8.279 25.157 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.234 -8.733 26.585 1.00 0.00 H new ATOM 626 N LYS A 38 6.604 -4.257 28.402 1.00 0.00 N ATOM 627 CA LYS A 38 6.590 -2.888 28.888 1.00 0.00 C ATOM 628 C LYS A 38 5.511 -2.743 29.963 1.00 0.00 C ATOM 629 O LYS A 38 4.328 -2.939 29.690 1.00 0.00 O ATOM 630 CB LYS A 38 6.434 -1.908 27.724 1.00 0.00 C ATOM 631 CG LYS A 38 7.638 -0.968 27.632 1.00 0.00 C ATOM 632 CD LYS A 38 8.114 -0.550 29.024 1.00 0.00 C ATOM 633 CE LYS A 38 8.474 0.937 29.058 1.00 0.00 C ATOM 634 NZ LYS A 38 9.802 1.135 29.679 1.00 0.00 N ATOM 0 H LYS A 38 7.320 -4.851 28.821 1.00 0.00 H new ATOM 0 HA LYS A 38 7.542 -2.641 29.357 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.328 -2.461 26.791 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.522 -1.325 27.855 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.450 -1.463 27.099 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.370 -0.083 27.054 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.333 -0.755 29.756 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.982 -1.144 29.309 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.476 1.340 28.045 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.718 1.487 29.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.030 2.149 29.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.788 0.769 30.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.522 0.626 29.128 1.00 0.00 H new ATOM 648 N GLY A 39 5.957 -2.401 31.162 1.00 0.00 N ATOM 649 CA GLY A 39 5.044 -2.228 32.279 1.00 0.00 C ATOM 650 C GLY A 39 3.992 -1.162 31.967 1.00 0.00 C ATOM 651 O GLY A 39 2.969 -1.078 32.645 1.00 0.00 O ATOM 0 H GLY A 39 6.939 -2.239 31.385 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.552 -3.175 32.502 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.603 -1.942 33.170 1.00 0.00 H new ATOM 655 N ARG A 40 4.280 -0.374 30.942 1.00 0.00 N ATOM 656 CA ARG A 40 3.372 0.683 30.532 1.00 0.00 C ATOM 657 C ARG A 40 2.522 0.222 29.345 1.00 0.00 C ATOM 658 O ARG A 40 2.398 -0.975 29.095 1.00 0.00 O ATOM 659 CB ARG A 40 4.139 1.947 30.141 1.00 0.00 C ATOM 660 CG ARG A 40 3.485 3.193 30.741 1.00 0.00 C ATOM 661 CD ARG A 40 4.256 3.679 31.971 1.00 0.00 C ATOM 662 NE ARG A 40 5.528 4.309 31.554 1.00 0.00 N ATOM 663 CZ ARG A 40 6.200 5.203 32.292 1.00 0.00 C ATOM 664 NH1 ARG A 40 5.726 5.578 33.488 1.00 0.00 N ATOM 665 NH2 ARG A 40 7.347 5.723 31.834 1.00 0.00 N ATOM 0 H ARG A 40 5.130 -0.447 30.383 1.00 0.00 H new ATOM 0 HA ARG A 40 2.725 0.912 31.379 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.170 1.872 30.485 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.171 2.036 29.055 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.449 3.985 29.993 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.455 2.970 31.018 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.652 4.394 32.530 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.457 2.841 32.639 1.00 0.00 H new ATOM 0 HE ARG A 40 5.918 4.047 30.649 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.853 5.183 33.837 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.238 6.259 34.049 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.708 5.438 30.924 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.859 6.404 32.396 1.00 0.00 H new ATOM 679 N LEU A 41 1.961 1.198 28.647 1.00 0.00 N ATOM 680 CA LEU A 41 1.127 0.908 27.493 1.00 0.00 C ATOM 681 C LEU A 41 1.981 0.260 26.402 1.00 0.00 C ATOM 682 O LEU A 41 1.451 -0.286 25.435 1.00 0.00 O ATOM 683 CB LEU A 41 0.393 2.169 27.031 1.00 0.00 C ATOM 684 CG LEU A 41 -0.998 2.392 27.629 1.00 0.00 C ATOM 685 CD1 LEU A 41 -2.021 1.441 27.006 1.00 0.00 C ATOM 686 CD2 LEU A 41 -0.964 2.279 29.154 1.00 0.00 C ATOM 0 H LEU A 41 2.067 2.190 28.858 1.00 0.00 H new ATOM 0 HA LEU A 41 0.348 0.192 27.757 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.012 3.034 27.269 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.299 2.134 25.946 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.314 3.407 27.389 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.001 1.620 27.448 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.071 1.614 25.931 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.721 0.410 27.194 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.965 2.442 29.553 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.617 1.285 29.438 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.285 3.029 29.559 1.00 0.00 H new ATOM 698 N GLY A 42 3.290 0.340 26.593 1.00 0.00 N ATOM 699 CA GLY A 42 4.222 -0.232 25.638 1.00 0.00 C ATOM 700 C GLY A 42 5.280 0.793 25.223 1.00 0.00 C ATOM 701 O GLY A 42 6.001 1.323 26.067 1.00 0.00 O ATOM 0 H GLY A 42 3.727 0.793 27.396 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.708 -1.104 26.076 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.680 -0.577 24.758 1.00 0.00 H new ATOM 705 N LYS A 43 5.340 1.041 23.923 1.00 0.00 N ATOM 706 CA LYS A 43 6.298 1.993 23.386 1.00 0.00 C ATOM 707 C LYS A 43 5.933 2.313 21.935 1.00 0.00 C ATOM 708 O LYS A 43 6.798 2.315 21.060 1.00 0.00 O ATOM 709 CB LYS A 43 7.726 1.472 23.561 1.00 0.00 C ATOM 710 CG LYS A 43 8.716 2.629 23.713 1.00 0.00 C ATOM 711 CD LYS A 43 8.446 3.417 24.996 1.00 0.00 C ATOM 712 CE LYS A 43 9.717 4.113 25.489 1.00 0.00 C ATOM 713 NZ LYS A 43 10.238 3.443 26.701 1.00 0.00 N ATOM 0 H LYS A 43 4.741 0.599 23.226 1.00 0.00 H new ATOM 0 HA LYS A 43 6.256 2.931 23.940 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.777 0.827 24.438 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.003 0.862 22.701 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.735 2.241 23.728 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.640 3.293 22.852 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.668 4.158 24.815 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.072 2.745 25.768 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.474 4.099 24.705 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.504 5.159 25.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.100 3.928 27.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.520 3.479 27.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.460 2.451 26.481 1.00 0.00 H new ATOM 727 N GLN A 44 4.652 2.576 21.724 1.00 0.00 N ATOM 728 CA GLN A 44 4.163 2.896 20.394 1.00 0.00 C ATOM 729 C GLN A 44 3.893 1.614 19.604 1.00 0.00 C ATOM 730 O GLN A 44 4.311 1.490 18.454 1.00 0.00 O ATOM 731 CB GLN A 44 5.147 3.802 19.651 1.00 0.00 C ATOM 732 CG GLN A 44 4.415 4.939 18.936 1.00 0.00 C ATOM 733 CD GLN A 44 4.689 6.281 19.617 1.00 0.00 C ATOM 734 OE1 GLN A 44 5.802 6.591 20.011 1.00 0.00 O ATOM 735 NE2 GLN A 44 3.616 7.058 19.734 1.00 0.00 N ATOM 0 H GLN A 44 3.938 2.574 22.452 1.00 0.00 H new ATOM 0 HA GLN A 44 3.224 3.441 20.495 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.868 4.216 20.356 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.710 3.215 18.926 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.734 4.984 17.895 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.343 4.741 18.933 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.714 6.738 19.383 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.695 7.974 20.175 1.00 0.00 H new ATOM 744 N CYS A 45 3.197 0.692 20.253 1.00 0.00 N ATOM 745 CA CYS A 45 2.868 -0.576 19.626 1.00 0.00 C ATOM 746 C CYS A 45 2.074 -0.289 18.350 1.00 0.00 C ATOM 747 O CYS A 45 1.818 0.869 18.021 1.00 0.00 O ATOM 748 CB CYS A 45 2.102 -1.496 20.579 1.00 0.00 C ATOM 749 SG CYS A 45 3.116 -2.967 20.977 1.00 0.00 S ATOM 0 H CYS A 45 2.852 0.798 21.207 1.00 0.00 H new ATOM 0 HA CYS A 45 3.785 -1.107 19.371 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.851 -0.959 21.494 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.162 -1.805 20.122 1.00 0.00 H new ATOM 0 HG CYS A 45 2.873 -3.908 20.114 1.00 0.00 H new ATOM 755 N ARG A 46 1.706 -1.362 17.665 1.00 0.00 N ATOM 756 CA ARG A 46 0.947 -1.240 16.433 1.00 0.00 C ATOM 757 C ARG A 46 1.847 -0.736 15.302 1.00 0.00 C ATOM 758 O ARG A 46 1.994 -1.400 14.278 1.00 0.00 O ATOM 759 CB ARG A 46 -0.231 -0.278 16.604 1.00 0.00 C ATOM 760 CG ARG A 46 -0.952 -0.527 17.930 1.00 0.00 C ATOM 761 CD ARG A 46 -1.433 0.788 18.548 1.00 0.00 C ATOM 762 NE ARG A 46 -0.845 0.960 19.895 1.00 0.00 N ATOM 763 CZ ARG A 46 -1.298 0.345 20.996 1.00 0.00 C ATOM 764 NH1 ARG A 46 -2.347 -0.485 20.916 1.00 0.00 N ATOM 765 NH2 ARG A 46 -0.702 0.560 22.177 1.00 0.00 N ATOM 0 H ARG A 46 1.920 -2.320 17.941 1.00 0.00 H new ATOM 0 HA ARG A 46 0.561 -2.228 16.183 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.127 0.751 16.568 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.930 -0.402 15.777 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.803 -1.189 17.767 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.281 -1.035 18.623 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.150 1.624 17.909 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.521 0.792 18.614 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.045 1.586 19.991 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.801 -0.649 20.017 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.692 -0.953 21.754 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.096 1.192 22.238 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.047 0.092 23.015 1.00 0.00 H new ATOM 779 N GLU A 47 2.427 0.434 15.528 1.00 0.00 N ATOM 780 CA GLU A 47 3.308 1.035 14.541 1.00 0.00 C ATOM 781 C GLU A 47 4.553 0.167 14.344 1.00 0.00 C ATOM 782 O GLU A 47 5.624 0.485 14.859 1.00 0.00 O ATOM 783 CB GLU A 47 3.692 2.460 14.944 1.00 0.00 C ATOM 784 CG GLU A 47 4.080 3.290 13.719 1.00 0.00 C ATOM 785 CD GLU A 47 5.494 3.857 13.866 1.00 0.00 C ATOM 786 OE1 GLU A 47 5.899 4.076 15.028 1.00 0.00 O ATOM 787 OE2 GLU A 47 6.137 4.058 12.813 1.00 0.00 O ATOM 0 H GLU A 47 2.304 0.981 16.380 1.00 0.00 H new ATOM 0 HA GLU A 47 2.774 1.092 13.592 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.856 2.934 15.459 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.525 2.431 15.647 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.024 2.671 12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.369 4.106 13.588 1.00 0.00 H new ATOM 794 N ARG A 48 4.371 -0.912 13.596 1.00 0.00 N ATOM 795 CA ARG A 48 5.466 -1.827 13.324 1.00 0.00 C ATOM 796 C ARG A 48 4.975 -3.005 12.480 1.00 0.00 C ATOM 797 O ARG A 48 5.544 -3.300 11.430 1.00 0.00 O ATOM 798 CB ARG A 48 6.075 -2.358 14.623 1.00 0.00 C ATOM 799 CG ARG A 48 7.133 -3.426 14.336 1.00 0.00 C ATOM 800 CD ARG A 48 8.505 -2.992 14.856 1.00 0.00 C ATOM 801 NE ARG A 48 9.447 -4.132 14.812 1.00 0.00 N ATOM 802 CZ ARG A 48 9.443 -5.144 15.691 1.00 0.00 C ATOM 803 NH1 ARG A 48 8.546 -5.163 16.686 1.00 0.00 N ATOM 804 NH2 ARG A 48 10.335 -6.137 15.573 1.00 0.00 N ATOM 0 H ARG A 48 3.482 -1.173 13.170 1.00 0.00 H new ATOM 0 HA ARG A 48 6.231 -1.276 12.776 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.524 -1.536 15.181 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.290 -2.778 15.252 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.843 -4.366 14.806 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.188 -3.609 13.263 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.888 -2.169 14.252 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.416 -2.623 15.878 1.00 0.00 H new ATOM 0 HE ARG A 48 10.143 -4.149 14.066 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.866 -4.408 16.774 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.543 -5.933 17.355 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.017 -6.123 14.814 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.332 -6.907 16.242 1.00 0.00 H new ATOM 818 N TRP A 49 3.925 -3.647 12.971 1.00 0.00 N ATOM 819 CA TRP A 49 3.351 -4.786 12.274 1.00 0.00 C ATOM 820 C TRP A 49 1.862 -4.510 12.062 1.00 0.00 C ATOM 821 O TRP A 49 1.147 -5.339 11.502 1.00 0.00 O ATOM 822 CB TRP A 49 3.615 -6.085 13.038 1.00 0.00 C ATOM 823 CG TRP A 49 2.672 -6.314 14.221 1.00 0.00 C ATOM 824 CD1 TRP A 49 2.003 -5.397 14.932 1.00 0.00 C ATOM 825 CD2 TRP A 49 2.319 -7.586 14.805 1.00 0.00 C ATOM 826 NE1 TRP A 49 1.247 -5.981 15.928 1.00 0.00 N ATOM 827 CE2 TRP A 49 1.445 -7.355 15.848 1.00 0.00 C ATOM 828 CE3 TRP A 49 2.724 -8.888 14.464 1.00 0.00 C ATOM 829 CZ2 TRP A 49 0.903 -8.378 16.635 1.00 0.00 C ATOM 830 CZ3 TRP A 49 2.174 -9.899 15.260 1.00 0.00 C ATOM 831 CH2 TRP A 49 1.293 -9.684 16.313 1.00 0.00 C ATOM 0 H TRP A 49 3.457 -3.400 13.843 1.00 0.00 H new ATOM 0 HA TRP A 49 3.822 -4.919 11.300 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.527 -6.924 12.348 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.643 -6.078 13.402 1.00 0.00 H new ATOM 0 HD1 TRP A 49 2.049 -4.334 14.749 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.653 -5.494 16.599 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.406 -9.092 13.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.221 -8.171 17.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.454 -10.919 15.040 1.00 0.00 H new ATOM 0 HH2 TRP A 49 0.911 -10.520 16.880 1.00 0.00 H new ATOM 842 N HIS A 50 1.438 -3.341 12.521 1.00 0.00 N ATOM 843 CA HIS A 50 0.047 -2.945 12.388 1.00 0.00 C ATOM 844 C HIS A 50 -0.097 -1.952 11.233 1.00 0.00 C ATOM 845 O HIS A 50 -0.566 -2.312 10.155 1.00 0.00 O ATOM 846 CB HIS A 50 -0.491 -2.396 13.711 1.00 0.00 C ATOM 847 CG HIS A 50 -1.998 -2.376 13.801 1.00 0.00 C ATOM 848 ND1 HIS A 50 -2.768 -1.359 13.263 1.00 0.00 N ATOM 849 CD2 HIS A 50 -2.869 -3.258 14.371 1.00 0.00 C ATOM 850 CE1 HIS A 50 -4.042 -1.627 13.504 1.00 0.00 C ATOM 851 NE2 HIS A 50 -4.103 -2.804 14.192 1.00 0.00 N ATOM 0 H HIS A 50 2.034 -2.656 12.985 1.00 0.00 H new ATOM 0 HA HIS A 50 -0.561 -3.818 12.149 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.097 -2.998 14.529 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.116 -1.382 13.851 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.600 -4.171 14.881 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.885 -1.020 13.208 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.956 -3.260 14.515 1.00 0.00 H new ATOM 859 N ASN A 51 0.317 -0.721 11.498 1.00 0.00 N ATOM 860 CA ASN A 51 0.241 0.326 10.494 1.00 0.00 C ATOM 861 C ASN A 51 1.641 0.598 9.940 1.00 0.00 C ATOM 862 O ASN A 51 2.017 1.751 9.733 1.00 0.00 O ATOM 863 CB ASN A 51 -0.291 1.628 11.095 1.00 0.00 C ATOM 864 CG ASN A 51 -1.121 1.353 12.351 1.00 0.00 C ATOM 865 OD1 ASN A 51 -0.396 1.048 13.423 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -2.340 1.415 12.347 1.00 0.00 N flip ATOM 0 H ASN A 51 0.706 -0.426 12.394 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.434 -0.010 9.707 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.542 2.286 11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.902 2.150 10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.836 1.655 11.488 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.863 1.227 13.202 1.00 0.00 H new ATOM 873 N HIS A 52 2.374 -0.482 9.715 1.00 0.00 N ATOM 874 CA HIS A 52 3.724 -0.374 9.189 1.00 0.00 C ATOM 875 C HIS A 52 3.754 -0.877 7.745 1.00 0.00 C ATOM 876 O HIS A 52 3.881 -0.086 6.811 1.00 0.00 O ATOM 877 CB HIS A 52 4.719 -1.106 10.092 1.00 0.00 C ATOM 878 CG HIS A 52 6.064 -0.429 10.200 1.00 0.00 C ATOM 879 ND1 HIS A 52 6.205 0.918 10.483 1.00 0.00 N ATOM 880 CD2 HIS A 52 7.327 -0.927 10.060 1.00 0.00 C ATOM 881 CE1 HIS A 52 7.498 1.208 10.509 1.00 0.00 C ATOM 882 NE2 HIS A 52 8.191 0.063 10.246 1.00 0.00 N ATOM 0 H HIS A 52 2.059 -1.437 9.887 1.00 0.00 H new ATOM 0 HA HIS A 52 4.032 0.672 9.179 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.289 -1.198 11.089 1.00 0.00 H new ATOM 0 HB3 HIS A 52 4.862 -2.118 9.712 1.00 0.00 H new ATOM 0 HD2 HIS A 52 7.580 -1.953 9.836 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.927 2.180 10.704 1.00 0.00 H new ATOM 0 HE2 HIS A 52 9.207 -0.019 10.200 1.00 0.00 H new ATOM 890 N LEU A 53 3.634 -2.189 7.606 1.00 0.00 N ATOM 891 CA LEU A 53 3.646 -2.807 6.291 1.00 0.00 C ATOM 892 C LEU A 53 5.032 -2.638 5.665 1.00 0.00 C ATOM 893 O LEU A 53 5.677 -1.607 5.846 1.00 0.00 O ATOM 894 CB LEU A 53 2.510 -2.252 5.428 1.00 0.00 C ATOM 895 CG LEU A 53 2.358 -2.875 4.039 1.00 0.00 C ATOM 896 CD1 LEU A 53 0.978 -3.515 3.874 1.00 0.00 C ATOM 897 CD2 LEU A 53 2.647 -1.847 2.943 1.00 0.00 C ATOM 0 H LEU A 53 3.528 -2.842 8.383 1.00 0.00 H new ATOM 0 HA LEU A 53 3.461 -3.878 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.572 -2.383 5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.662 -1.179 5.309 1.00 0.00 H new ATOM 0 HG LEU A 53 3.097 -3.670 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.896 -3.951 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.847 -4.296 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.207 -2.755 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.532 -2.315 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.948 -1.015 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.667 -1.477 3.051 1.00 0.00 H new ATOM 909 N ASN A 54 5.448 -3.667 4.942 1.00 0.00 N ATOM 910 CA ASN A 54 6.746 -3.646 4.288 1.00 0.00 C ATOM 911 C ASN A 54 6.965 -2.276 3.643 1.00 0.00 C ATOM 912 O ASN A 54 6.006 -1.567 3.342 1.00 0.00 O ATOM 913 CB ASN A 54 6.825 -4.705 3.187 1.00 0.00 C ATOM 914 CG ASN A 54 5.999 -4.292 1.968 1.00 0.00 C ATOM 915 OD1 ASN A 54 6.498 -3.727 1.009 1.00 0.00 O ATOM 916 ND2 ASN A 54 4.709 -4.603 2.058 1.00 0.00 N ATOM 0 H ASN A 54 4.910 -4.521 4.794 1.00 0.00 H new ATOM 0 HA ASN A 54 7.507 -3.852 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.864 -4.852 2.893 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.463 -5.660 3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.073 -4.368 1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.355 -5.076 2.889 1.00 0.00 H new ATOM 923 N PRO A 55 8.267 -1.935 3.445 1.00 0.00 N ATOM 924 CA PRO A 55 8.624 -0.663 2.841 1.00 0.00 C ATOM 925 C PRO A 55 8.362 -0.679 1.334 1.00 0.00 C ATOM 926 O PRO A 55 7.552 -1.467 0.849 1.00 0.00 O ATOM 927 CB PRO A 55 10.090 -0.461 3.187 1.00 0.00 C ATOM 928 CG PRO A 55 10.621 -1.833 3.569 1.00 0.00 C ATOM 929 CD PRO A 55 9.429 -2.750 3.789 1.00 0.00 C ATOM 0 HA PRO A 55 8.022 0.165 3.217 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.639 -0.052 2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.203 0.245 4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.265 -2.226 2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 55 11.226 -1.770 4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.491 -3.638 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.380 -3.095 4.822 1.00 0.00 H new ATOM 937 N GLU A 56 9.064 0.201 0.634 1.00 0.00 N ATOM 938 CA GLU A 56 8.917 0.298 -0.808 1.00 0.00 C ATOM 939 C GLU A 56 10.289 0.250 -1.485 1.00 0.00 C ATOM 940 O GLU A 56 11.288 -0.080 -0.848 1.00 0.00 O ATOM 941 CB GLU A 56 8.158 1.568 -1.198 1.00 0.00 C ATOM 942 CG GLU A 56 7.073 1.262 -2.232 1.00 0.00 C ATOM 943 CD GLU A 56 6.825 2.469 -3.139 1.00 0.00 C ATOM 944 OE1 GLU A 56 6.197 3.431 -2.645 1.00 0.00 O ATOM 945 OE2 GLU A 56 7.268 2.403 -4.306 1.00 0.00 O ATOM 0 H GLU A 56 9.736 0.853 1.039 1.00 0.00 H new ATOM 0 HA GLU A 56 8.332 -0.555 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.706 2.012 -0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.854 2.302 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.372 0.405 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.148 0.988 -1.724 1.00 0.00 H new ATOM 952 N VAL A 57 10.292 0.583 -2.768 1.00 0.00 N ATOM 953 CA VAL A 57 11.524 0.581 -3.538 1.00 0.00 C ATOM 954 C VAL A 57 12.118 1.991 -3.545 1.00 0.00 C ATOM 955 O VAL A 57 12.789 2.381 -4.499 1.00 0.00 O ATOM 956 CB VAL A 57 11.262 0.036 -4.943 1.00 0.00 C ATOM 957 CG1 VAL A 57 12.555 -0.467 -5.587 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.199 -1.064 -4.915 1.00 0.00 C ATOM 0 H VAL A 57 9.461 0.856 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 57 12.260 -0.080 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 57 10.881 0.855 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.340 -0.849 -6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.269 0.354 -5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.979 -1.265 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.032 -1.434 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.539 -1.883 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.268 -0.660 -4.518 1.00 0.00 H new ATOM 968 N LYS A 58 11.850 2.717 -2.469 1.00 0.00 N ATOM 969 CA LYS A 58 12.349 4.075 -2.339 1.00 0.00 C ATOM 970 C LYS A 58 12.322 4.757 -3.708 1.00 0.00 C ATOM 971 O LYS A 58 13.272 4.642 -4.482 1.00 0.00 O ATOM 972 CB LYS A 58 13.729 4.078 -1.678 1.00 0.00 C ATOM 973 CG LYS A 58 14.820 3.711 -2.685 1.00 0.00 C ATOM 974 CD LYS A 58 16.074 3.198 -1.973 1.00 0.00 C ATOM 975 CE LYS A 58 17.112 2.700 -2.980 1.00 0.00 C ATOM 976 NZ LYS A 58 17.674 1.402 -2.545 1.00 0.00 N ATOM 0 H LYS A 58 11.294 2.390 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 58 11.704 4.656 -1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.933 5.063 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 58 13.741 3.370 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.447 2.948 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.071 4.583 -3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.504 3.995 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.805 2.390 -1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.652 2.593 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.912 3.434 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.377 1.078 -3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.130 1.515 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.910 0.700 -2.472 1.00 0.00 H new ATOM 990 N LYS A 59 11.224 5.453 -3.966 1.00 0.00 N ATOM 991 CA LYS A 59 11.062 6.153 -5.229 1.00 0.00 C ATOM 992 C LYS A 59 10.724 5.143 -6.327 1.00 0.00 C ATOM 993 O LYS A 59 10.540 3.959 -6.051 1.00 0.00 O ATOM 994 CB LYS A 59 12.297 7.003 -5.533 1.00 0.00 C ATOM 995 CG LYS A 59 11.898 8.423 -5.941 1.00 0.00 C ATOM 996 CD LYS A 59 12.073 9.398 -4.775 1.00 0.00 C ATOM 997 CE LYS A 59 13.160 10.430 -5.081 1.00 0.00 C ATOM 998 NZ LYS A 59 14.503 9.830 -4.920 1.00 0.00 N ATOM 0 H LYS A 59 10.438 5.547 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 59 10.229 6.853 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.942 7.041 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.874 6.539 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.506 8.747 -6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.860 8.431 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.129 9.906 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.334 8.847 -3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.041 10.802 -6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.055 11.286 -4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.230 10.543 -5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.619 9.497 -3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.605 9.028 -5.574 1.00 0.00 H new ATOM 1012 N SER A 60 10.653 5.649 -7.550 1.00 0.00 N ATOM 1013 CA SER A 60 10.341 4.806 -8.691 1.00 0.00 C ATOM 1014 C SER A 60 11.135 3.501 -8.611 1.00 0.00 C ATOM 1015 O SER A 60 10.670 2.523 -8.027 1.00 0.00 O ATOM 1016 CB SER A 60 10.638 5.528 -10.007 1.00 0.00 C ATOM 1017 OG SER A 60 12.012 5.890 -10.118 1.00 0.00 O ATOM 0 H SER A 60 10.806 6.632 -7.775 1.00 0.00 H new ATOM 0 HA SER A 60 9.276 4.577 -8.665 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.364 4.885 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.020 6.423 -10.077 1.00 0.00 H new ATOM 0 HG SER A 60 12.356 5.606 -10.991 1.00 0.00 H new ATOM 1023 N SER A 61 12.318 3.528 -9.205 1.00 0.00 N ATOM 1024 CA SER A 61 13.181 2.359 -9.208 1.00 0.00 C ATOM 1025 C SER A 61 12.345 1.091 -9.395 1.00 0.00 C ATOM 1026 O SER A 61 11.266 1.137 -9.984 1.00 0.00 O ATOM 1027 CB SER A 61 13.995 2.272 -7.915 1.00 0.00 C ATOM 1028 OG SER A 61 13.197 1.860 -6.808 1.00 0.00 O ATOM 0 H SER A 61 12.700 4.341 -9.688 1.00 0.00 H new ATOM 0 HA SER A 61 13.879 2.452 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.817 1.569 -8.051 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.439 3.244 -7.700 1.00 0.00 H new ATOM 0 HG SER A 61 13.554 2.252 -5.984 1.00 0.00 H new ATOM 1034 N TRP A 62 12.875 -0.010 -8.882 1.00 0.00 N ATOM 1035 CA TRP A 62 12.190 -1.287 -8.985 1.00 0.00 C ATOM 1036 C TRP A 62 10.856 -1.170 -8.246 1.00 0.00 C ATOM 1037 O TRP A 62 10.570 -0.143 -7.633 1.00 0.00 O ATOM 1038 CB TRP A 62 13.068 -2.424 -8.457 1.00 0.00 C ATOM 1039 CG TRP A 62 14.443 -2.508 -9.122 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.592 -1.951 -8.716 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.769 -3.218 -10.336 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.630 -2.248 -9.575 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.114 -3.043 -10.591 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.955 -3.983 -11.190 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.763 -3.602 -11.699 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.619 -4.534 -12.292 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.972 -4.367 -12.563 1.00 0.00 C ATOM 0 H TRP A 62 13.770 -0.044 -8.394 1.00 0.00 H new ATOM 0 HA TRP A 62 11.989 -1.534 -10.028 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.202 -2.297 -7.383 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.547 -3.370 -8.603 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.693 -1.345 -7.828 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.598 -1.941 -9.481 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.901 -4.133 -11.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.817 -3.451 -11.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.039 -5.131 -12.980 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.411 -4.826 -13.437 1.00 0.00 H new ATOM 1058 N THR A 63 10.074 -2.237 -8.329 1.00 0.00 N ATOM 1059 CA THR A 63 8.777 -2.266 -7.675 1.00 0.00 C ATOM 1060 C THR A 63 8.706 -3.427 -6.682 1.00 0.00 C ATOM 1061 O THR A 63 9.736 -3.913 -6.215 1.00 0.00 O ATOM 1062 CB THR A 63 7.702 -2.330 -8.762 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.723 -3.689 -9.192 1.00 0.00 O ATOM 1064 CG2 THR A 63 8.085 -1.538 -10.013 1.00 0.00 C ATOM 0 H THR A 63 10.314 -3.087 -8.839 1.00 0.00 H new ATOM 0 HA THR A 63 8.611 -1.365 -7.085 1.00 0.00 H new ATOM 0 HB THR A 63 6.762 -1.948 -8.364 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.913 -3.881 -9.710 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.288 -1.617 -10.752 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.233 -0.491 -9.749 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.008 -1.941 -10.430 1.00 0.00 H new ATOM 1072 N GLU A 64 7.482 -3.839 -6.388 1.00 0.00 N ATOM 1073 CA GLU A 64 7.264 -4.934 -5.458 1.00 0.00 C ATOM 1074 C GLU A 64 7.446 -6.278 -6.167 1.00 0.00 C ATOM 1075 O GLU A 64 8.501 -6.902 -6.061 1.00 0.00 O ATOM 1076 CB GLU A 64 5.880 -4.839 -4.813 1.00 0.00 C ATOM 1077 CG GLU A 64 5.914 -3.944 -3.572 1.00 0.00 C ATOM 1078 CD GLU A 64 6.389 -4.727 -2.346 1.00 0.00 C ATOM 1079 OE1 GLU A 64 5.522 -5.359 -1.705 1.00 0.00 O ATOM 1080 OE2 GLU A 64 7.608 -4.674 -2.077 1.00 0.00 O ATOM 0 H GLU A 64 6.631 -3.434 -6.777 1.00 0.00 H new ATOM 0 HA GLU A 64 8.006 -4.861 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.166 -4.441 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.534 -5.835 -4.538 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.578 -3.098 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.920 -3.536 -3.385 1.00 0.00 H new ATOM 1087 N GLU A 65 6.403 -6.683 -6.876 1.00 0.00 N ATOM 1088 CA GLU A 65 6.435 -7.940 -7.603 1.00 0.00 C ATOM 1089 C GLU A 65 7.761 -8.087 -8.352 1.00 0.00 C ATOM 1090 O GLU A 65 8.265 -9.197 -8.517 1.00 0.00 O ATOM 1091 CB GLU A 65 5.248 -8.049 -8.563 1.00 0.00 C ATOM 1092 CG GLU A 65 3.923 -8.062 -7.797 1.00 0.00 C ATOM 1093 CD GLU A 65 2.932 -9.038 -8.434 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.266 -8.618 -9.405 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.862 -10.183 -7.936 1.00 0.00 O ATOM 0 H GLU A 65 5.530 -6.162 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 65 6.354 -8.755 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.261 -7.211 -9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.338 -8.959 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.101 -8.344 -6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.495 -7.059 -7.786 1.00 0.00 H new ATOM 1102 N GLU A 66 8.287 -6.951 -8.786 1.00 0.00 N ATOM 1103 CA GLU A 66 9.545 -6.939 -9.513 1.00 0.00 C ATOM 1104 C GLU A 66 10.691 -7.379 -8.600 1.00 0.00 C ATOM 1105 O GLU A 66 11.587 -8.104 -9.028 1.00 0.00 O ATOM 1106 CB GLU A 66 9.820 -5.558 -10.111 1.00 0.00 C ATOM 1107 CG GLU A 66 8.966 -5.321 -11.359 1.00 0.00 C ATOM 1108 CD GLU A 66 9.845 -5.058 -12.583 1.00 0.00 C ATOM 1109 OE1 GLU A 66 11.003 -5.528 -12.562 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.339 -4.393 -13.512 1.00 0.00 O ATOM 0 H GLU A 66 7.865 -6.033 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 66 9.471 -7.648 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.608 -4.788 -9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.876 -5.472 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.333 -6.190 -11.541 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.302 -4.472 -11.194 1.00 0.00 H new ATOM 1117 N ASP A 67 10.625 -6.921 -7.358 1.00 0.00 N ATOM 1118 CA ASP A 67 11.645 -7.258 -6.381 1.00 0.00 C ATOM 1119 C ASP A 67 11.558 -8.749 -6.052 1.00 0.00 C ATOM 1120 O ASP A 67 12.568 -9.451 -6.061 1.00 0.00 O ATOM 1121 CB ASP A 67 11.444 -6.475 -5.082 1.00 0.00 C ATOM 1122 CG ASP A 67 12.733 -6.081 -4.358 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.292 -5.026 -4.727 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.130 -6.844 -3.451 1.00 0.00 O ATOM 0 H ASP A 67 9.880 -6.319 -7.007 1.00 0.00 H new ATOM 0 HA ASP A 67 12.616 -7.006 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.879 -5.570 -5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.834 -7.073 -4.406 1.00 0.00 H new ATOM 1129 N ARG A 68 10.341 -9.190 -5.769 1.00 0.00 N ATOM 1130 CA ARG A 68 10.108 -10.586 -5.438 1.00 0.00 C ATOM 1131 C ARG A 68 10.574 -11.488 -6.583 1.00 0.00 C ATOM 1132 O ARG A 68 11.473 -12.307 -6.406 1.00 0.00 O ATOM 1133 CB ARG A 68 8.626 -10.847 -5.163 1.00 0.00 C ATOM 1134 CG ARG A 68 8.224 -10.319 -3.784 1.00 0.00 C ATOM 1135 CD ARG A 68 7.417 -11.365 -3.011 1.00 0.00 C ATOM 1136 NE ARG A 68 8.277 -12.522 -2.676 1.00 0.00 N ATOM 1137 CZ ARG A 68 7.854 -13.605 -2.011 1.00 0.00 C ATOM 1138 NH1 ARG A 68 6.579 -13.686 -1.605 1.00 0.00 N ATOM 1139 NH2 ARG A 68 8.705 -14.607 -1.751 1.00 0.00 N ATOM 0 H ARG A 68 9.505 -8.605 -5.762 1.00 0.00 H new ATOM 0 HA ARG A 68 10.678 -10.813 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.020 -10.367 -5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.425 -11.917 -5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.117 -10.052 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.634 -9.409 -3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.014 -10.924 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.567 -11.694 -3.608 1.00 0.00 H new ATOM 0 HE ARG A 68 9.253 -12.493 -2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.931 -12.923 -1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.256 -14.511 -1.099 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.675 -14.545 -2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.382 -15.432 -1.245 1.00 0.00 H new ATOM 1153 N ILE A 69 9.939 -11.306 -7.732 1.00 0.00 N ATOM 1154 CA ILE A 69 10.277 -12.093 -8.906 1.00 0.00 C ATOM 1155 C ILE A 69 11.790 -12.317 -8.947 1.00 0.00 C ATOM 1156 O ILE A 69 12.260 -13.437 -8.753 1.00 0.00 O ATOM 1157 CB ILE A 69 9.719 -11.436 -10.170 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.193 -11.540 -10.214 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.370 -12.021 -11.425 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.622 -10.736 -11.384 1.00 0.00 C ATOM 0 H ILE A 69 9.193 -10.625 -7.875 1.00 0.00 H new ATOM 0 HA ILE A 69 9.810 -13.076 -8.852 1.00 0.00 H new ATOM 0 HB ILE A 69 9.969 -10.375 -10.142 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.899 -12.585 -10.308 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.773 -11.174 -9.277 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.956 -11.537 -12.309 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.446 -11.852 -11.389 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.173 -13.092 -11.472 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.536 -10.827 -11.392 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.898 -9.687 -11.274 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.025 -11.120 -12.321 1.00 0.00 H new ATOM 1172 N ILE A 70 12.510 -11.234 -9.200 1.00 0.00 N ATOM 1173 CA ILE A 70 13.960 -11.299 -9.268 1.00 0.00 C ATOM 1174 C ILE A 70 14.490 -12.053 -8.047 1.00 0.00 C ATOM 1175 O ILE A 70 15.300 -12.970 -8.184 1.00 0.00 O ATOM 1176 CB ILE A 70 14.552 -9.897 -9.429 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.936 -9.176 -10.630 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.078 -9.953 -9.515 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.567 -7.796 -10.825 1.00 0.00 C ATOM 0 H ILE A 70 12.116 -10.307 -9.360 1.00 0.00 H new ATOM 0 HA ILE A 70 14.275 -11.857 -10.150 1.00 0.00 H new ATOM 0 HB ILE A 70 14.301 -9.316 -8.542 1.00 0.00 H new ATOM 0 HG12 ILE A 70 14.078 -9.775 -11.530 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.861 -9.071 -10.483 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.473 -8.944 -9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.478 -10.398 -8.604 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.372 -10.557 -10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.111 -7.306 -11.685 1.00 0.00 H new ATOM 0 HD12 ILE A 70 14.403 -7.191 -9.933 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.638 -7.906 -10.996 1.00 0.00 H new ATOM 1191 N PHE A 71 14.013 -11.641 -6.883 1.00 0.00 N ATOM 1192 CA PHE A 71 14.429 -12.267 -5.639 1.00 0.00 C ATOM 1193 C PHE A 71 14.050 -13.749 -5.617 1.00 0.00 C ATOM 1194 O PHE A 71 14.544 -14.508 -4.786 1.00 0.00 O ATOM 1195 CB PHE A 71 13.693 -11.547 -4.508 1.00 0.00 C ATOM 1196 CG PHE A 71 13.657 -12.328 -3.192 1.00 0.00 C ATOM 1197 CD1 PHE A 71 14.703 -12.248 -2.326 1.00 0.00 C ATOM 1198 CD2 PHE A 71 12.581 -13.102 -2.890 1.00 0.00 C ATOM 1199 CE1 PHE A 71 14.670 -12.972 -1.105 1.00 0.00 C ATOM 1200 CE2 PHE A 71 12.549 -13.827 -1.669 1.00 0.00 C ATOM 1201 CZ PHE A 71 13.594 -13.747 -0.803 1.00 0.00 C ATOM 0 H PHE A 71 13.342 -10.881 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 71 15.511 -12.195 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.171 -10.583 -4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 71 12.670 -11.343 -4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 71 15.558 -11.634 -2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.751 -13.166 -3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 71 15.499 -12.907 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.694 -14.442 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.570 -14.299 0.125 1.00 0.00 H new ATOM 1211 N GLU A 72 13.174 -14.116 -6.542 1.00 0.00 N ATOM 1212 CA GLU A 72 12.723 -15.493 -6.639 1.00 0.00 C ATOM 1213 C GLU A 72 12.944 -16.026 -8.056 1.00 0.00 C ATOM 1214 O GLU A 72 12.333 -17.016 -8.454 1.00 0.00 O ATOM 1215 CB GLU A 72 11.254 -15.619 -6.230 1.00 0.00 C ATOM 1216 CG GLU A 72 11.117 -15.749 -4.711 1.00 0.00 C ATOM 1217 CD GLU A 72 10.704 -17.169 -4.318 1.00 0.00 C ATOM 1218 OE1 GLU A 72 11.351 -18.110 -4.827 1.00 0.00 O ATOM 1219 OE2 GLU A 72 9.750 -17.282 -3.518 1.00 0.00 O ATOM 0 H GLU A 72 12.765 -13.483 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 72 13.312 -16.097 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.700 -14.746 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.811 -16.489 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.064 -15.496 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.377 -15.037 -4.347 1.00 0.00 H new ATOM 1226 N ALA A 73 13.821 -15.345 -8.779 1.00 0.00 N ATOM 1227 CA ALA A 73 14.131 -15.737 -10.144 1.00 0.00 C ATOM 1228 C ALA A 73 15.605 -16.138 -10.232 1.00 0.00 C ATOM 1229 O ALA A 73 15.985 -16.937 -11.087 1.00 0.00 O ATOM 1230 CB ALA A 73 13.780 -14.592 -11.096 1.00 0.00 C ATOM 0 H ALA A 73 14.327 -14.524 -8.446 1.00 0.00 H new ATOM 0 HA ALA A 73 13.536 -16.601 -10.440 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.012 -14.886 -12.120 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.717 -14.365 -11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.360 -13.708 -10.832 1.00 0.00 H new ATOM 1236 N HIS A 74 16.396 -15.565 -9.336 1.00 0.00 N ATOM 1237 CA HIS A 74 17.820 -15.853 -9.302 1.00 0.00 C ATOM 1238 C HIS A 74 18.054 -17.204 -8.624 1.00 0.00 C ATOM 1239 O HIS A 74 19.107 -17.816 -8.797 1.00 0.00 O ATOM 1240 CB HIS A 74 18.589 -14.712 -8.633 1.00 0.00 C ATOM 1241 CG HIS A 74 20.050 -14.652 -9.010 1.00 0.00 C ATOM 1242 ND1 HIS A 74 21.061 -15.062 -8.159 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.658 -14.227 -10.155 1.00 0.00 C ATOM 1244 CE1 HIS A 74 22.222 -14.886 -8.774 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.970 -14.368 -10.010 1.00 0.00 N ATOM 0 H HIS A 74 16.078 -14.903 -8.628 1.00 0.00 H new ATOM 0 HA HIS A 74 18.205 -15.925 -10.319 1.00 0.00 H new ATOM 0 HB2 HIS A 74 18.117 -13.766 -8.897 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.508 -14.818 -7.551 1.00 0.00 H new ATOM 0 HD1 HIS A 74 20.934 -15.436 -7.219 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.157 -13.841 -11.031 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.196 -15.113 -8.368 1.00 0.00 H new ATOM 1253 N LYS A 75 17.055 -17.631 -7.866 1.00 0.00 N ATOM 1254 CA LYS A 75 17.139 -18.899 -7.161 1.00 0.00 C ATOM 1255 C LYS A 75 16.340 -19.956 -7.925 1.00 0.00 C ATOM 1256 O LYS A 75 15.992 -20.998 -7.370 1.00 0.00 O ATOM 1257 CB LYS A 75 16.702 -18.731 -5.704 1.00 0.00 C ATOM 1258 CG LYS A 75 15.534 -17.749 -5.591 1.00 0.00 C ATOM 1259 CD LYS A 75 14.747 -17.981 -4.300 1.00 0.00 C ATOM 1260 CE LYS A 75 15.409 -17.270 -3.118 1.00 0.00 C ATOM 1261 NZ LYS A 75 16.777 -17.792 -2.900 1.00 0.00 N ATOM 0 H LYS A 75 16.183 -17.121 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 75 18.171 -19.246 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.410 -19.698 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 75 17.541 -18.373 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.910 -16.726 -5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.873 -17.864 -6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.727 -17.618 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.683 -19.050 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.448 -16.197 -3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.811 -17.413 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.038 -17.675 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.808 -18.801 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.448 -17.267 -3.496 1.00 0.00 H new ATOM 1275 N VAL A 76 16.072 -19.652 -9.186 1.00 0.00 N ATOM 1276 CA VAL A 76 15.320 -20.564 -10.032 1.00 0.00 C ATOM 1277 C VAL A 76 16.108 -20.829 -11.316 1.00 0.00 C ATOM 1278 O VAL A 76 16.156 -21.960 -11.797 1.00 0.00 O ATOM 1279 CB VAL A 76 13.921 -20.001 -10.294 1.00 0.00 C ATOM 1280 CG1 VAL A 76 12.979 -21.093 -10.805 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.356 -19.331 -9.041 1.00 0.00 C ATOM 0 H VAL A 76 16.362 -18.787 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 76 15.182 -21.523 -9.532 1.00 0.00 H new ATOM 0 HB VAL A 76 14.005 -19.240 -11.070 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.992 -20.667 -10.983 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.370 -21.505 -11.735 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.903 -21.886 -10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.361 -18.940 -9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.293 -20.062 -8.235 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.010 -18.513 -8.739 1.00 0.00 H new ATOM 1291 N LEU A 77 16.707 -19.766 -11.835 1.00 0.00 N ATOM 1292 CA LEU A 77 17.491 -19.870 -13.054 1.00 0.00 C ATOM 1293 C LEU A 77 18.973 -19.694 -12.718 1.00 0.00 C ATOM 1294 O LEU A 77 19.723 -20.668 -12.671 1.00 0.00 O ATOM 1295 CB LEU A 77 16.978 -18.885 -14.106 1.00 0.00 C ATOM 1296 CG LEU A 77 15.480 -18.574 -14.060 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.237 -17.084 -13.815 1.00 0.00 C ATOM 1298 CD2 LEU A 77 14.778 -19.069 -15.326 1.00 0.00 C ATOM 0 H LEU A 77 16.665 -18.829 -11.433 1.00 0.00 H new ATOM 0 HA LEU A 77 17.379 -20.860 -13.496 1.00 0.00 H new ATOM 0 HB2 LEU A 77 17.527 -17.949 -13.997 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.216 -19.281 -15.093 1.00 0.00 H new ATOM 0 HG LEU A 77 15.045 -19.114 -13.219 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.165 -16.890 -13.787 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.683 -16.794 -12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.690 -16.504 -14.620 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.715 -18.835 -15.268 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.210 -18.577 -16.198 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.908 -20.147 -15.416 1.00 0.00 H new ATOM 1310 N GLY A 78 19.352 -18.445 -12.493 1.00 0.00 N ATOM 1311 CA GLY A 78 20.732 -18.129 -12.163 1.00 0.00 C ATOM 1312 C GLY A 78 20.996 -16.627 -12.294 1.00 0.00 C ATOM 1313 O GLY A 78 20.157 -15.810 -11.918 1.00 0.00 O ATOM 0 H GLY A 78 18.728 -17.639 -12.533 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.950 -18.453 -11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.403 -18.679 -12.823 1.00 0.00 H new ATOM 1317 N ASN A 79 22.167 -16.310 -12.829 1.00 0.00 N ATOM 1318 CA ASN A 79 22.553 -14.921 -13.014 1.00 0.00 C ATOM 1319 C ASN A 79 22.224 -14.491 -14.445 1.00 0.00 C ATOM 1320 O ASN A 79 22.736 -13.483 -14.927 1.00 0.00 O ATOM 1321 CB ASN A 79 24.056 -14.734 -12.797 1.00 0.00 C ATOM 1322 CG ASN A 79 24.739 -16.072 -12.511 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.463 -16.743 -11.530 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.645 -16.422 -13.419 1.00 0.00 N ATOM 0 H ASN A 79 22.860 -16.991 -13.140 1.00 0.00 H new ATOM 0 HA ASN A 79 22.006 -14.319 -12.288 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.500 -14.276 -13.681 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.225 -14.050 -11.965 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.157 -17.298 -13.317 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.828 -15.814 -14.217 1.00 0.00 H new ATOM 1331 N ARG A 80 21.371 -15.278 -15.084 1.00 0.00 N ATOM 1332 CA ARG A 80 20.967 -14.992 -16.450 1.00 0.00 C ATOM 1333 C ARG A 80 20.085 -13.742 -16.492 1.00 0.00 C ATOM 1334 O ARG A 80 18.966 -13.785 -17.000 1.00 0.00 O ATOM 1335 CB ARG A 80 20.201 -16.169 -17.056 1.00 0.00 C ATOM 1336 CG ARG A 80 19.259 -16.798 -16.028 1.00 0.00 C ATOM 1337 CD ARG A 80 19.720 -18.208 -15.652 1.00 0.00 C ATOM 1338 NE ARG A 80 19.413 -19.151 -16.751 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.311 -19.572 -17.652 1.00 0.00 C ATOM 1340 NH1 ARG A 80 21.577 -19.137 -17.591 1.00 0.00 N ATOM 1341 NH2 ARG A 80 19.943 -20.428 -18.615 1.00 0.00 N ATOM 0 H ARG A 80 20.948 -16.114 -14.681 1.00 0.00 H new ATOM 0 HA ARG A 80 21.871 -14.823 -17.035 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.628 -15.829 -17.919 1.00 0.00 H new ATOM 0 HB3 ARG A 80 20.905 -16.919 -17.416 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.220 -16.174 -15.135 1.00 0.00 H new ATOM 0 HG3 ARG A 80 18.248 -16.838 -16.433 1.00 0.00 H new ATOM 0 HD2 ARG A 80 20.791 -18.208 -15.451 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.224 -18.530 -14.736 1.00 0.00 H new ATOM 0 HE ARG A 80 18.458 -19.502 -16.827 1.00 0.00 H new ATOM 0 HH11 ARG A 80 21.858 -18.485 -16.858 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.260 -19.458 -18.277 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.979 -20.759 -18.662 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.627 -20.749 -19.301 1.00 0.00 H new ATOM 1355 N TRP A 81 20.623 -12.659 -15.950 1.00 0.00 N ATOM 1356 CA TRP A 81 19.898 -11.400 -15.920 1.00 0.00 C ATOM 1357 C TRP A 81 19.308 -11.160 -17.311 1.00 0.00 C ATOM 1358 O TRP A 81 18.221 -10.599 -17.440 1.00 0.00 O ATOM 1359 CB TRP A 81 20.802 -10.259 -15.449 1.00 0.00 C ATOM 1360 CG TRP A 81 21.798 -10.663 -14.360 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.131 -10.754 -14.454 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.483 -11.027 -12.999 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.697 -11.150 -13.259 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.663 -11.322 -12.346 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.243 -11.106 -12.342 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.718 -11.714 -11.004 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.315 -11.501 -11.001 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.495 -11.800 -10.329 1.00 0.00 C ATOM 0 H TRP A 81 21.551 -12.627 -15.529 1.00 0.00 H new ATOM 0 HA TRP A 81 19.082 -11.442 -15.199 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.353 -9.869 -16.305 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.179 -9.447 -15.074 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.693 -10.544 -15.352 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.691 -11.291 -13.079 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.308 -10.880 -12.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.654 -11.938 -10.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.389 -11.579 -10.450 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.468 -12.097 -9.291 1.00 0.00 H new ATOM 1379 N ALA A 82 20.051 -11.596 -18.317 1.00 0.00 N ATOM 1380 CA ALA A 82 19.615 -11.436 -19.694 1.00 0.00 C ATOM 1381 C ALA A 82 18.204 -12.007 -19.847 1.00 0.00 C ATOM 1382 O ALA A 82 17.514 -11.713 -20.822 1.00 0.00 O ATOM 1383 CB ALA A 82 20.621 -12.109 -20.630 1.00 0.00 C ATOM 0 H ALA A 82 20.953 -12.060 -18.206 1.00 0.00 H new ATOM 0 HA ALA A 82 19.575 -10.381 -19.964 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.294 -11.989 -21.663 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.600 -11.648 -20.504 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.686 -13.171 -20.391 1.00 0.00 H new ATOM 1389 N GLU A 83 17.817 -12.813 -18.870 1.00 0.00 N ATOM 1390 CA GLU A 83 16.501 -13.428 -18.884 1.00 0.00 C ATOM 1391 C GLU A 83 15.615 -12.812 -17.798 1.00 0.00 C ATOM 1392 O GLU A 83 14.449 -12.506 -18.043 1.00 0.00 O ATOM 1393 CB GLU A 83 16.602 -14.945 -18.713 1.00 0.00 C ATOM 1394 CG GLU A 83 17.630 -15.538 -19.679 1.00 0.00 C ATOM 1395 CD GLU A 83 17.235 -15.269 -21.132 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.206 -15.839 -21.555 1.00 0.00 O ATOM 1397 OE2 GLU A 83 17.972 -14.500 -21.787 1.00 0.00 O ATOM 0 H GLU A 83 18.392 -13.055 -18.063 1.00 0.00 H new ATOM 0 HA GLU A 83 16.042 -13.234 -19.854 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.883 -15.181 -17.687 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.627 -15.400 -18.889 1.00 0.00 H new ATOM 0 HG2 GLU A 83 18.612 -15.108 -19.480 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.713 -16.612 -19.514 1.00 0.00 H new ATOM 1404 N ILE A 84 16.203 -12.649 -16.622 1.00 0.00 N ATOM 1405 CA ILE A 84 15.483 -12.075 -15.498 1.00 0.00 C ATOM 1406 C ILE A 84 14.689 -10.857 -15.975 1.00 0.00 C ATOM 1407 O ILE A 84 13.519 -10.699 -15.629 1.00 0.00 O ATOM 1408 CB ILE A 84 16.442 -11.771 -14.346 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.049 -13.058 -13.783 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.751 -10.942 -13.262 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.171 -13.639 -12.673 1.00 0.00 C ATOM 0 H ILE A 84 17.170 -12.905 -16.423 1.00 0.00 H new ATOM 0 HA ILE A 84 14.763 -12.791 -15.102 1.00 0.00 H new ATOM 0 HB ILE A 84 17.264 -11.171 -14.736 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.163 -13.790 -14.582 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.046 -12.854 -13.393 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.455 -10.740 -12.455 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.407 -10.000 -13.688 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.898 -11.495 -12.869 1.00 0.00 H new ATOM 0 HD11 ILE A 84 16.625 -14.553 -12.291 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.079 -12.914 -11.865 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.182 -13.865 -13.072 1.00 0.00 H new ATOM 1423 N ALA A 85 15.357 -10.027 -16.763 1.00 0.00 N ATOM 1424 CA ALA A 85 14.729 -8.828 -17.291 1.00 0.00 C ATOM 1425 C ALA A 85 13.646 -9.225 -18.296 1.00 0.00 C ATOM 1426 O ALA A 85 12.542 -8.684 -18.272 1.00 0.00 O ATOM 1427 CB ALA A 85 15.796 -7.922 -17.910 1.00 0.00 C ATOM 0 H ALA A 85 16.327 -10.161 -17.048 1.00 0.00 H new ATOM 0 HA ALA A 85 14.247 -8.264 -16.492 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.324 -7.023 -18.306 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.524 -7.644 -17.148 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.300 -8.453 -18.717 1.00 0.00 H new ATOM 1433 N LYS A 86 14.001 -10.168 -19.158 1.00 0.00 N ATOM 1434 CA LYS A 86 13.073 -10.644 -20.170 1.00 0.00 C ATOM 1435 C LYS A 86 11.711 -10.903 -19.525 1.00 0.00 C ATOM 1436 O LYS A 86 10.675 -10.740 -20.167 1.00 0.00 O ATOM 1437 CB LYS A 86 13.651 -11.860 -20.896 1.00 0.00 C ATOM 1438 CG LYS A 86 14.466 -11.432 -22.119 1.00 0.00 C ATOM 1439 CD LYS A 86 14.650 -12.599 -23.091 1.00 0.00 C ATOM 1440 CE LYS A 86 15.922 -12.425 -23.922 1.00 0.00 C ATOM 1441 NZ LYS A 86 15.758 -13.042 -25.257 1.00 0.00 N ATOM 0 H LYS A 86 14.918 -10.615 -19.176 1.00 0.00 H new ATOM 0 HA LYS A 86 12.923 -9.885 -20.937 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.283 -12.429 -20.214 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.842 -12.521 -21.207 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.963 -10.608 -22.625 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.441 -11.063 -21.800 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.700 -13.535 -22.535 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.786 -12.666 -23.752 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.150 -11.365 -24.031 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.766 -12.881 -23.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.631 -12.915 -25.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.562 -14.058 -25.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.965 -12.588 -25.754 1.00 0.00 H new ATOM 1455 N LEU A 87 11.755 -11.303 -18.262 1.00 0.00 N ATOM 1456 CA LEU A 87 10.537 -11.586 -17.523 1.00 0.00 C ATOM 1457 C LEU A 87 9.878 -10.269 -17.110 1.00 0.00 C ATOM 1458 O LEU A 87 8.655 -10.143 -17.152 1.00 0.00 O ATOM 1459 CB LEU A 87 10.828 -12.523 -16.349 1.00 0.00 C ATOM 1460 CG LEU A 87 10.723 -14.021 -16.643 1.00 0.00 C ATOM 1461 CD1 LEU A 87 11.865 -14.483 -17.550 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.656 -14.831 -15.347 1.00 0.00 C ATOM 0 H LEU A 87 12.616 -11.438 -17.732 1.00 0.00 H new ATOM 0 HA LEU A 87 9.823 -12.115 -18.154 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.834 -12.314 -15.984 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.139 -12.283 -15.539 1.00 0.00 H new ATOM 0 HG LEU A 87 9.792 -14.199 -17.182 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.767 -15.551 -17.743 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.824 -13.938 -18.493 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.819 -14.289 -17.061 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.582 -15.892 -15.585 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.557 -14.653 -14.760 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.782 -14.526 -14.772 1.00 0.00 H new ATOM 1474 N LEU A 88 10.717 -9.320 -16.721 1.00 0.00 N ATOM 1475 CA LEU A 88 10.232 -8.017 -16.301 1.00 0.00 C ATOM 1476 C LEU A 88 10.576 -6.980 -17.372 1.00 0.00 C ATOM 1477 O LEU A 88 11.716 -6.529 -17.460 1.00 0.00 O ATOM 1478 CB LEU A 88 10.768 -7.668 -14.912 1.00 0.00 C ATOM 1479 CG LEU A 88 10.599 -8.744 -13.837 1.00 0.00 C ATOM 1480 CD1 LEU A 88 11.945 -9.377 -13.479 1.00 0.00 C ATOM 1481 CD2 LEU A 88 9.884 -8.182 -12.606 1.00 0.00 C ATOM 0 H LEU A 88 11.731 -9.428 -16.688 1.00 0.00 H new ATOM 0 HA LEU A 88 9.146 -8.028 -16.204 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.829 -7.436 -15.002 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.271 -6.760 -14.570 1.00 0.00 H new ATOM 0 HG LEU A 88 9.968 -9.536 -14.242 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.797 -10.138 -12.713 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.379 -9.836 -14.367 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.619 -8.609 -13.101 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.777 -8.967 -11.858 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.468 -7.361 -12.190 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.898 -7.817 -12.893 1.00 0.00 H new ATOM 1493 N PRO A 89 9.541 -6.623 -18.180 1.00 0.00 N ATOM 1494 CA PRO A 89 9.723 -5.647 -19.241 1.00 0.00 C ATOM 1495 C PRO A 89 9.814 -4.229 -18.673 1.00 0.00 C ATOM 1496 O PRO A 89 8.900 -3.771 -17.989 1.00 0.00 O ATOM 1497 CB PRO A 89 8.530 -5.842 -20.163 1.00 0.00 C ATOM 1498 CG PRO A 89 7.490 -6.591 -19.346 1.00 0.00 C ATOM 1499 CD PRO A 89 8.177 -7.136 -18.104 1.00 0.00 C ATOM 0 HA PRO A 89 10.657 -5.786 -19.785 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.141 -4.883 -20.506 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.811 -6.408 -21.051 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.671 -5.927 -19.069 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.058 -7.403 -19.931 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.678 -6.800 -17.195 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.164 -8.226 -18.090 1.00 0.00 H new ATOM 1507 N GLY A 90 10.925 -3.574 -18.978 1.00 0.00 N ATOM 1508 CA GLY A 90 11.147 -2.218 -18.506 1.00 0.00 C ATOM 1509 C GLY A 90 12.599 -2.022 -18.066 1.00 0.00 C ATOM 1510 O GLY A 90 13.122 -0.910 -18.117 1.00 0.00 O ATOM 0 H GLY A 90 11.681 -3.957 -19.546 1.00 0.00 H new ATOM 0 HA2 GLY A 90 10.904 -1.509 -19.298 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.478 -2.005 -17.672 1.00 0.00 H new ATOM 1514 N ARG A 91 13.209 -3.119 -17.644 1.00 0.00 N ATOM 1515 CA ARG A 91 14.591 -3.082 -17.195 1.00 0.00 C ATOM 1516 C ARG A 91 15.457 -3.995 -18.065 1.00 0.00 C ATOM 1517 O ARG A 91 14.957 -4.949 -18.659 1.00 0.00 O ATOM 1518 CB ARG A 91 14.707 -3.521 -15.734 1.00 0.00 C ATOM 1519 CG ARG A 91 14.298 -2.390 -14.788 1.00 0.00 C ATOM 1520 CD ARG A 91 15.361 -1.290 -14.755 1.00 0.00 C ATOM 1521 NE ARG A 91 14.884 -0.150 -13.942 1.00 0.00 N ATOM 1522 CZ ARG A 91 15.530 1.020 -13.836 1.00 0.00 C ATOM 1523 NH1 ARG A 91 16.683 1.210 -14.492 1.00 0.00 N ATOM 1524 NH2 ARG A 91 15.023 1.999 -13.075 1.00 0.00 N ATOM 0 H ARG A 91 12.772 -4.040 -17.603 1.00 0.00 H new ATOM 0 HA ARG A 91 14.940 -2.053 -17.283 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.074 -4.392 -15.561 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.732 -3.825 -15.522 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.345 -1.970 -15.109 1.00 0.00 H new ATOM 0 HG3 ARG A 91 14.149 -2.787 -13.784 1.00 0.00 H new ATOM 0 HD2 ARG A 91 16.289 -1.682 -14.338 1.00 0.00 H new ATOM 0 HD3 ARG A 91 15.583 -0.957 -15.769 1.00 0.00 H new ATOM 0 HE ARG A 91 14.009 -0.261 -13.430 1.00 0.00 H new ATOM 0 HH11 ARG A 91 17.069 0.465 -15.072 1.00 0.00 H new ATOM 0 HH12 ARG A 91 17.175 2.100 -14.412 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.145 1.854 -12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.515 2.889 -12.995 1.00 0.00 H new ATOM 1538 N THR A 92 16.740 -3.670 -18.114 1.00 0.00 N ATOM 1539 CA THR A 92 17.680 -4.449 -18.901 1.00 0.00 C ATOM 1540 C THR A 92 18.383 -5.485 -18.022 1.00 0.00 C ATOM 1541 O THR A 92 17.997 -5.694 -16.873 1.00 0.00 O ATOM 1542 CB THR A 92 18.645 -3.477 -19.584 1.00 0.00 C ATOM 1543 OG1 THR A 92 19.089 -2.630 -18.528 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.933 -2.527 -20.549 1.00 0.00 C ATOM 0 H THR A 92 17.151 -2.877 -17.621 1.00 0.00 H new ATOM 0 HA THR A 92 17.168 -5.020 -19.676 1.00 0.00 H new ATOM 0 HB THR A 92 19.406 -4.040 -20.124 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.721 -1.970 -18.882 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.663 -1.859 -21.006 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.433 -3.105 -21.326 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.195 -1.939 -20.003 1.00 0.00 H new ATOM 1552 N ASP A 93 19.402 -6.108 -18.596 1.00 0.00 N ATOM 1553 CA ASP A 93 20.162 -7.117 -17.878 1.00 0.00 C ATOM 1554 C ASP A 93 21.052 -6.435 -16.837 1.00 0.00 C ATOM 1555 O ASP A 93 21.090 -6.852 -15.680 1.00 0.00 O ATOM 1556 CB ASP A 93 21.066 -7.905 -18.829 1.00 0.00 C ATOM 1557 CG ASP A 93 21.783 -7.063 -19.886 1.00 0.00 C ATOM 1558 OD1 ASP A 93 21.118 -6.726 -20.890 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.979 -6.775 -19.667 1.00 0.00 O ATOM 0 H ASP A 93 19.719 -5.934 -19.550 1.00 0.00 H new ATOM 0 HA ASP A 93 19.455 -7.798 -17.404 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.814 -8.435 -18.239 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.465 -8.661 -19.335 1.00 0.00 H new ATOM 1564 N ASN A 94 21.745 -5.399 -17.285 1.00 0.00 N ATOM 1565 CA ASN A 94 22.632 -4.656 -16.406 1.00 0.00 C ATOM 1566 C ASN A 94 21.812 -4.019 -15.282 1.00 0.00 C ATOM 1567 O ASN A 94 22.369 -3.562 -14.285 1.00 0.00 O ATOM 1568 CB ASN A 94 23.346 -3.535 -17.164 1.00 0.00 C ATOM 1569 CG ASN A 94 24.857 -3.770 -17.196 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.518 -3.868 -16.175 1.00 0.00 O ATOM 1571 ND2 ASN A 94 25.365 -3.856 -18.422 1.00 0.00 N ATOM 0 H ASN A 94 21.710 -5.056 -18.245 1.00 0.00 H new ATOM 0 HA ASN A 94 23.372 -5.350 -16.008 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.962 -3.478 -18.182 1.00 0.00 H new ATOM 0 HB3 ASN A 94 23.133 -2.577 -16.689 1.00 0.00 H new ATOM 0 HD21 ASN A 94 26.365 -4.013 -18.550 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.755 -3.765 -19.234 1.00 0.00 H new ATOM 1578 N ALA A 95 20.502 -4.008 -15.481 1.00 0.00 N ATOM 1579 CA ALA A 95 19.600 -3.435 -14.496 1.00 0.00 C ATOM 1580 C ALA A 95 19.418 -4.423 -13.342 1.00 0.00 C ATOM 1581 O ALA A 95 19.872 -4.172 -12.227 1.00 0.00 O ATOM 1582 CB ALA A 95 18.275 -3.072 -15.168 1.00 0.00 C ATOM 0 H ALA A 95 20.044 -4.387 -16.310 1.00 0.00 H new ATOM 0 HA ALA A 95 20.017 -2.517 -14.081 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.598 -2.642 -14.429 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.456 -2.346 -15.960 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.825 -3.969 -15.594 1.00 0.00 H new ATOM 1588 N VAL A 96 18.751 -5.526 -13.650 1.00 0.00 N ATOM 1589 CA VAL A 96 18.502 -6.553 -12.652 1.00 0.00 C ATOM 1590 C VAL A 96 19.832 -6.995 -12.040 1.00 0.00 C ATOM 1591 O VAL A 96 19.975 -7.036 -10.819 1.00 0.00 O ATOM 1592 CB VAL A 96 17.717 -7.708 -13.276 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.427 -8.796 -12.239 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.423 -7.207 -13.921 1.00 0.00 C ATOM 0 H VAL A 96 18.376 -5.731 -14.576 1.00 0.00 H new ATOM 0 HA VAL A 96 17.887 -6.160 -11.843 1.00 0.00 H new ATOM 0 HB VAL A 96 18.334 -8.147 -14.060 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.868 -9.606 -12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.367 -9.184 -11.846 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.839 -8.374 -11.424 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.884 -8.048 -14.357 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.800 -6.730 -13.164 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.662 -6.485 -14.702 1.00 0.00 H new ATOM 1604 N LYS A 97 20.773 -7.316 -12.916 1.00 0.00 N ATOM 1605 CA LYS A 97 22.087 -7.755 -12.477 1.00 0.00 C ATOM 1606 C LYS A 97 22.549 -6.878 -11.312 1.00 0.00 C ATOM 1607 O LYS A 97 22.611 -7.336 -10.172 1.00 0.00 O ATOM 1608 CB LYS A 97 23.064 -7.779 -13.654 1.00 0.00 C ATOM 1609 CG LYS A 97 24.470 -8.166 -13.190 1.00 0.00 C ATOM 1610 CD LYS A 97 25.402 -8.379 -14.385 1.00 0.00 C ATOM 1611 CE LYS A 97 25.796 -7.043 -15.018 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.212 -6.728 -14.725 1.00 0.00 N ATOM 0 H LYS A 97 20.651 -7.281 -13.928 1.00 0.00 H new ATOM 0 HA LYS A 97 22.043 -8.780 -12.108 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.717 -8.488 -14.405 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.091 -6.799 -14.129 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.872 -7.385 -12.545 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.422 -9.078 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.297 -8.911 -14.062 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.909 -9.006 -15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.642 -7.085 -16.096 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.154 -6.249 -14.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.463 -5.818 -15.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.348 -6.667 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.821 -7.477 -15.111 1.00 0.00 H new ATOM 1626 N ASN A 98 22.861 -5.632 -11.638 1.00 0.00 N ATOM 1627 CA ASN A 98 23.316 -4.687 -10.632 1.00 0.00 C ATOM 1628 C ASN A 98 22.319 -4.664 -9.472 1.00 0.00 C ATOM 1629 O ASN A 98 22.707 -4.793 -8.312 1.00 0.00 O ATOM 1630 CB ASN A 98 23.404 -3.272 -11.207 1.00 0.00 C ATOM 1631 CG ASN A 98 24.408 -2.424 -10.423 1.00 0.00 C ATOM 1632 OD1 ASN A 98 24.187 -2.049 -9.283 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.520 -2.143 -11.096 1.00 0.00 N ATOM 0 H ASN A 98 22.808 -5.255 -12.584 1.00 0.00 H new ATOM 0 HA ASN A 98 24.303 -5.002 -10.295 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.702 -3.319 -12.255 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.422 -2.801 -11.176 1.00 0.00 H new ATOM 0 HD21 ASN A 98 26.252 -1.582 -10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.641 -2.489 -12.048 1.00 0.00 H new ATOM 1640 N HIS A 99 21.052 -4.500 -9.825 1.00 0.00 N ATOM 1641 CA HIS A 99 19.996 -4.459 -8.827 1.00 0.00 C ATOM 1642 C HIS A 99 20.212 -5.578 -7.806 1.00 0.00 C ATOM 1643 O HIS A 99 19.831 -5.444 -6.644 1.00 0.00 O ATOM 1644 CB HIS A 99 18.619 -4.519 -9.491 1.00 0.00 C ATOM 1645 CG HIS A 99 17.480 -4.738 -8.524 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.310 -3.976 -7.382 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.457 -5.640 -8.541 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.230 -4.409 -6.747 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.704 -5.441 -7.467 1.00 0.00 N ATOM 0 H HIS A 99 20.733 -4.394 -10.788 1.00 0.00 H new ATOM 0 HA HIS A 99 20.034 -3.512 -8.289 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.448 -3.589 -10.034 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.617 -5.323 -10.227 1.00 0.00 H new ATOM 0 HD2 HIS A 99 16.288 -6.389 -9.300 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.836 -4.014 -5.822 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.869 -5.972 -7.220 1.00 0.00 H new ATOM 1657 N TRP A 100 20.821 -6.656 -8.277 1.00 0.00 N ATOM 1658 CA TRP A 100 21.092 -7.797 -7.419 1.00 0.00 C ATOM 1659 C TRP A 100 21.972 -7.321 -6.262 1.00 0.00 C ATOM 1660 O TRP A 100 21.548 -7.339 -5.107 1.00 0.00 O ATOM 1661 CB TRP A 100 21.719 -8.944 -8.215 1.00 0.00 C ATOM 1662 CG TRP A 100 21.462 -10.329 -7.617 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.359 -11.278 -7.319 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.180 -10.885 -7.255 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.753 -12.401 -6.793 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.385 -12.154 -6.753 1.00 0.00 C ATOM 1667 CE3 TRP A 100 18.890 -10.334 -7.348 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.346 -12.978 -6.305 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 17.863 -11.170 -6.897 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.052 -12.450 -6.389 1.00 0.00 C ATOM 0 H TRP A 100 21.134 -6.764 -9.242 1.00 0.00 H new ATOM 0 HA TRP A 100 20.166 -8.199 -7.008 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.330 -8.921 -9.233 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.795 -8.782 -8.281 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.423 -11.177 -7.471 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.222 -13.254 -6.490 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.706 -9.343 -7.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.532 -13.968 -5.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 16.852 -10.794 -6.947 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.205 -13.034 -6.061 1.00 0.00 H new ATOM 1681 N ASN A 101 23.181 -6.906 -6.612 1.00 0.00 N ATOM 1682 CA ASN A 101 24.124 -6.426 -5.616 1.00 0.00 C ATOM 1683 C ASN A 101 23.686 -5.043 -5.130 1.00 0.00 C ATOM 1684 O ASN A 101 24.301 -4.474 -4.230 1.00 0.00 O ATOM 1685 CB ASN A 101 25.529 -6.295 -6.207 1.00 0.00 C ATOM 1686 CG ASN A 101 26.156 -7.671 -6.441 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.477 -8.401 -5.517 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.312 -7.984 -7.724 1.00 0.00 N ATOM 0 H ASN A 101 23.529 -6.892 -7.571 1.00 0.00 H new ATOM 0 HA ASN A 101 24.142 -7.143 -4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.482 -5.748 -7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.158 -5.715 -5.533 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.722 -8.881 -7.984 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.022 -7.327 -8.448 1.00 0.00 H new ATOM 1695 N SER A 102 22.625 -4.543 -5.746 1.00 0.00 N ATOM 1696 CA SER A 102 22.097 -3.238 -5.387 1.00 0.00 C ATOM 1697 C SER A 102 21.373 -3.318 -4.041 1.00 0.00 C ATOM 1698 O SER A 102 21.906 -2.891 -3.019 1.00 0.00 O ATOM 1699 CB SER A 102 21.151 -2.710 -6.468 1.00 0.00 C ATOM 1700 OG SER A 102 20.818 -1.340 -6.262 1.00 0.00 O ATOM 0 H SER A 102 22.117 -5.018 -6.492 1.00 0.00 H new ATOM 0 HA SER A 102 22.932 -2.543 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.617 -2.827 -7.446 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.239 -3.308 -6.476 1.00 0.00 H new ATOM 0 HG SER A 102 20.214 -1.040 -6.973 1.00 0.00 H new ATOM 1706 N THR A 103 20.169 -3.869 -4.086 1.00 0.00 N ATOM 1707 CA THR A 103 19.366 -4.011 -2.883 1.00 0.00 C ATOM 1708 C THR A 103 19.118 -5.490 -2.579 1.00 0.00 C ATOM 1709 O THR A 103 18.667 -5.836 -1.488 1.00 0.00 O ATOM 1710 CB THR A 103 18.079 -3.206 -3.075 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.425 -1.891 -2.648 1.00 0.00 O ATOM 1712 CG2 THR A 103 16.972 -3.632 -2.109 1.00 0.00 C ATOM 0 H THR A 103 19.730 -4.222 -4.936 1.00 0.00 H new ATOM 0 HA THR A 103 19.887 -3.615 -2.011 1.00 0.00 H new ATOM 0 HB THR A 103 17.729 -3.321 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.647 -1.302 -2.741 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.081 -3.030 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.736 -4.684 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.309 -3.486 -1.083 1.00 0.00 H new ATOM 1720 N ILE A 104 19.423 -6.323 -3.563 1.00 0.00 N ATOM 1721 CA ILE A 104 19.238 -7.757 -3.415 1.00 0.00 C ATOM 1722 C ILE A 104 20.513 -8.373 -2.836 1.00 0.00 C ATOM 1723 O ILE A 104 20.817 -9.537 -3.094 1.00 0.00 O ATOM 1724 CB ILE A 104 18.801 -8.381 -4.741 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.838 -7.458 -5.491 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.207 -9.773 -4.523 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.460 -7.447 -4.826 1.00 0.00 C ATOM 0 H ILE A 104 19.797 -6.032 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 104 18.433 -7.967 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 104 19.684 -8.503 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 104 18.243 -6.446 -5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.744 -7.788 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.905 -10.194 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.954 -10.419 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.338 -9.699 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.795 -6.783 -5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 104 16.048 -8.456 -4.826 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.554 -7.094 -3.799 1.00 0.00 H new ATOM 1739 N LYS A 105 21.226 -7.565 -2.064 1.00 0.00 N ATOM 1740 CA LYS A 105 22.461 -8.017 -1.447 1.00 0.00 C ATOM 1741 C LYS A 105 22.698 -7.230 -0.156 1.00 0.00 C ATOM 1742 O LYS A 105 23.462 -6.266 -0.144 1.00 0.00 O ATOM 1743 CB LYS A 105 23.620 -7.930 -2.441 1.00 0.00 C ATOM 1744 CG LYS A 105 23.526 -9.039 -3.491 1.00 0.00 C ATOM 1745 CD LYS A 105 23.468 -10.417 -2.829 1.00 0.00 C ATOM 1746 CE LYS A 105 24.506 -11.362 -3.438 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.842 -12.518 -4.080 1.00 0.00 N ATOM 0 H LYS A 105 20.972 -6.600 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 105 22.386 -9.069 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.610 -6.957 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.568 -8.008 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.638 -8.889 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.387 -8.988 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.645 -10.318 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.471 -10.840 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.107 -10.826 -4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.188 -11.711 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.562 -13.183 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.234 -12.998 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.262 -12.187 -4.877 1.00 0.00 H new ATOM 1761 N ARG A 106 22.029 -7.670 0.899 1.00 0.00 N ATOM 1762 CA ARG A 106 22.157 -7.020 2.192 1.00 0.00 C ATOM 1763 C ARG A 106 23.589 -7.153 2.714 1.00 0.00 C ATOM 1764 O ARG A 106 24.304 -6.160 2.837 1.00 0.00 O ATOM 1765 CB ARG A 106 21.191 -7.626 3.212 1.00 0.00 C ATOM 1766 CG ARG A 106 20.903 -9.093 2.890 1.00 0.00 C ATOM 1767 CD ARG A 106 19.592 -9.237 2.114 1.00 0.00 C ATOM 1768 NE ARG A 106 19.869 -9.682 0.730 1.00 0.00 N ATOM 1769 CZ ARG A 106 20.470 -10.839 0.419 1.00 0.00 C ATOM 1770 NH1 ARG A 106 20.860 -11.674 1.391 1.00 0.00 N ATOM 1771 NH2 ARG A 106 20.681 -11.160 -0.865 1.00 0.00 N ATOM 0 H ARG A 106 21.396 -8.470 0.885 1.00 0.00 H new ATOM 0 HA ARG A 106 21.912 -5.966 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 106 21.616 -7.546 4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 106 20.259 -7.061 3.216 1.00 0.00 H new ATOM 0 HG2 ARG A 106 21.724 -9.508 2.305 1.00 0.00 H new ATOM 0 HG3 ARG A 106 20.848 -9.668 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 106 18.942 -9.956 2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 106 19.062 -8.285 2.099 1.00 0.00 H new ATOM 0 HE ARG A 106 19.585 -9.070 -0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 106 20.700 -11.429 2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 106 21.317 -12.554 1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 106 20.384 -10.524 -1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 106 21.138 -12.040 -1.102 1.00 0.00 H new ATOM 1785 N LYS A 107 23.965 -8.390 3.007 1.00 0.00 N ATOM 1786 CA LYS A 107 25.299 -8.666 3.513 1.00 0.00 C ATOM 1787 C LYS A 107 26.297 -8.629 2.354 1.00 0.00 C ATOM 1788 O LYS A 107 26.362 -9.563 1.556 1.00 0.00 O ATOM 1789 CB LYS A 107 25.313 -9.981 4.295 1.00 0.00 C ATOM 1790 CG LYS A 107 26.708 -10.611 4.284 1.00 0.00 C ATOM 1791 CD LYS A 107 27.078 -11.148 5.667 1.00 0.00 C ATOM 1792 CE LYS A 107 28.559 -11.528 5.730 1.00 0.00 C ATOM 1793 NZ LYS A 107 28.714 -12.995 5.838 1.00 0.00 N ATOM 0 H LYS A 107 23.369 -9.212 2.904 1.00 0.00 H new ATOM 0 HA LYS A 107 25.605 -7.897 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 107 25.000 -9.800 5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 107 24.593 -10.675 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 107 26.739 -11.421 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 107 27.443 -9.870 3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 107 26.860 -10.395 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 107 26.465 -12.019 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 107 29.071 -11.167 4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 107 29.029 -11.043 6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 29.725 -13.235 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 28.242 -13.331 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 28.284 -13.452 5.009 1.00 0.00 H new ATOM 1807 N VAL A 108 27.050 -7.541 2.298 1.00 0.00 N ATOM 1808 CA VAL A 108 28.042 -7.370 1.250 1.00 0.00 C ATOM 1809 C VAL A 108 29.388 -7.009 1.881 1.00 0.00 C ATOM 1810 O VAL A 108 30.410 -7.614 1.561 1.00 0.00 O ATOM 1811 CB VAL A 108 27.559 -6.330 0.237 1.00 0.00 C ATOM 1812 CG1 VAL A 108 28.220 -6.544 -1.126 1.00 0.00 C ATOM 1813 CG2 VAL A 108 26.034 -6.349 0.115 1.00 0.00 C ATOM 0 H VAL A 108 26.993 -6.768 2.962 1.00 0.00 H new ATOM 0 HA VAL A 108 28.180 -8.301 0.700 1.00 0.00 H new ATOM 0 HB VAL A 108 27.853 -5.346 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 108 27.859 -5.792 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 108 29.302 -6.456 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 108 27.971 -7.537 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 108 25.718 -5.600 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 108 25.708 -7.335 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 108 25.589 -6.125 1.084 1.00 0.00 H new ATOM 1823 N ASP A 109 29.345 -6.024 2.767 1.00 0.00 N ATOM 1824 CA ASP A 109 30.549 -5.576 3.446 1.00 0.00 C ATOM 1825 C ASP A 109 30.733 -6.382 4.733 1.00 0.00 C ATOM 1826 O ASP A 109 31.498 -5.988 5.613 1.00 0.00 O ATOM 1827 CB ASP A 109 30.449 -4.097 3.825 1.00 0.00 C ATOM 1828 CG ASP A 109 31.488 -3.189 3.165 1.00 0.00 C ATOM 1829 OD1 ASP A 109 31.722 -3.382 1.952 1.00 0.00 O ATOM 1830 OD2 ASP A 109 32.026 -2.322 3.888 1.00 0.00 O ATOM 0 H ASP A 109 28.496 -5.524 3.030 1.00 0.00 H new ATOM 0 HA ASP A 109 31.391 -5.719 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 109 29.454 -3.737 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 109 30.545 -4.007 4.907 1.00 0.00 H new ATOM 1835 N THR A 110 30.019 -7.496 4.804 1.00 0.00 N ATOM 1836 CA THR A 110 30.095 -8.361 5.969 1.00 0.00 C ATOM 1837 C THR A 110 29.574 -7.631 7.209 1.00 0.00 C ATOM 1838 O THR A 110 28.554 -8.017 7.777 1.00 0.00 O ATOM 1839 CB THR A 110 31.540 -8.841 6.108 1.00 0.00 C ATOM 1840 OG1 THR A 110 31.764 -9.616 4.934 1.00 0.00 O ATOM 1841 CG2 THR A 110 31.718 -9.840 7.253 1.00 0.00 C ATOM 0 H THR A 110 29.385 -7.819 4.073 1.00 0.00 H new ATOM 0 HA THR A 110 29.457 -9.237 5.854 1.00 0.00 H new ATOM 0 HB THR A 110 32.192 -7.983 6.270 1.00 0.00 H new ATOM 0 HG1 THR A 110 32.680 -9.965 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 110 32.762 -10.149 7.308 1.00 0.00 H new ATOM 0 HG22 THR A 110 31.429 -9.371 8.193 1.00 0.00 H new ATOM 0 HG23 THR A 110 31.090 -10.713 7.075 1.00 0.00 H new TER 1849 THR A 110