USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 438 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 NoAdj-H: A 16 HIS HE2 : A 16 HIS NE2 : A 53 ZNZN :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 54 ZNZN :(H bumps) USER MOD Set 1.1: A 15 ASN : amide:sc= -10.3! C(o=-9!,f=-16!) USER MOD Set 1.2: A 42 THR OG1 : rot 118:sc= 1.37 USER MOD Single : A 1 SER N :NH3+ 132:sc= 0.645 (180deg=0.118) USER MOD Single : A 1 SER OG : rot 180:sc= 0.239 USER MOD Single : A 3 SER OG : rot 46:sc= 0.0626 USER MOD Single : A 6 THR OG1 : rot 69:sc= 0.583 USER MOD Single : A 9 ASN : amide:sc= -3.59! C(o=-3.6!,f=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.14! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00225) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.953 K(o=-0.95,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -28.457 20.805 -14.150 1.00 0.00 N ATOM 2 CA SER A 1 -27.238 21.474 -13.609 1.00 0.00 C ATOM 3 C SER A 1 -25.998 20.624 -13.901 1.00 0.00 C ATOM 4 O SER A 1 -26.008 19.770 -14.764 1.00 0.00 O ATOM 5 CB SER A 1 -27.478 21.578 -12.104 1.00 0.00 C ATOM 6 OG SER A 1 -28.876 21.657 -11.857 1.00 0.00 O ATOM 0 H1 SER A 1 -29.200 20.796 -13.422 1.00 0.00 H new ATOM 0 H2 SER A 1 -28.796 21.324 -14.985 1.00 0.00 H new ATOM 0 H3 SER A 1 -28.226 19.828 -14.420 1.00 0.00 H new ATOM 0 HA SER A 1 -27.066 22.451 -14.060 1.00 0.00 H new ATOM 0 HB2 SER A 1 -27.055 20.711 -11.596 1.00 0.00 H new ATOM 0 HB3 SER A 1 -26.976 22.459 -11.704 1.00 0.00 H new ATOM 0 HG SER A 1 -29.035 21.722 -10.892 1.00 0.00 H new ATOM 14 N ILE A 2 -24.928 20.853 -13.188 1.00 0.00 N ATOM 15 CA ILE A 2 -23.687 20.060 -13.428 1.00 0.00 C ATOM 16 C ILE A 2 -22.617 20.437 -12.399 1.00 0.00 C ATOM 17 O ILE A 2 -22.718 21.444 -11.728 1.00 0.00 O ATOM 18 CB ILE A 2 -23.241 20.447 -14.839 1.00 0.00 C ATOM 19 CG1 ILE A 2 -22.082 19.547 -15.276 1.00 0.00 C ATOM 20 CG2 ILE A 2 -22.782 21.905 -14.846 1.00 0.00 C ATOM 21 CD1 ILE A 2 -21.893 19.656 -16.790 1.00 0.00 C ATOM 0 H ILE A 2 -24.859 21.554 -12.450 1.00 0.00 H new ATOM 0 HA ILE A 2 -23.852 18.987 -13.334 1.00 0.00 H new ATOM 0 HB ILE A 2 -24.076 20.324 -15.529 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -21.166 19.841 -14.763 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -22.286 18.513 -14.998 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -22.464 22.182 -15.851 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -23.606 22.547 -14.537 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -21.948 22.027 -14.155 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -21.068 19.015 -17.101 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -22.807 19.341 -17.294 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -21.670 20.689 -17.055 1.00 0.00 H new ATOM 33 N SER A 3 -21.591 19.638 -12.268 1.00 0.00 N ATOM 34 CA SER A 3 -20.521 19.959 -11.279 1.00 0.00 C ATOM 35 C SER A 3 -19.207 19.280 -11.680 1.00 0.00 C ATOM 36 O SER A 3 -19.093 18.071 -11.630 1.00 0.00 O ATOM 37 CB SER A 3 -21.029 19.401 -9.950 1.00 0.00 C ATOM 38 OG SER A 3 -21.421 20.478 -9.108 1.00 0.00 O ATOM 0 H SER A 3 -21.448 18.780 -12.801 1.00 0.00 H new ATOM 0 HA SER A 3 -20.320 21.029 -11.222 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.873 18.733 -10.122 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.249 18.812 -9.467 1.00 0.00 H new ATOM 0 HG SER A 3 -21.955 21.118 -9.623 1.00 0.00 H new ATOM 44 N PRO A 4 -18.257 20.088 -12.065 1.00 0.00 N ATOM 45 CA PRO A 4 -16.933 19.563 -12.479 1.00 0.00 C ATOM 46 C PRO A 4 -16.144 19.082 -11.256 1.00 0.00 C ATOM 47 O PRO A 4 -15.088 19.597 -10.946 1.00 0.00 O ATOM 48 CB PRO A 4 -16.257 20.770 -13.123 1.00 0.00 C ATOM 49 CG PRO A 4 -16.917 21.960 -12.503 1.00 0.00 C ATOM 50 CD PRO A 4 -18.324 21.551 -12.152 1.00 0.00 C ATOM 0 HA PRO A 4 -17.000 18.708 -13.152 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.184 20.770 -12.932 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.388 20.765 -14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -16.376 22.281 -11.613 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.922 22.802 -13.195 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -18.644 21.993 -11.208 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -19.035 21.874 -12.913 1.00 0.00 H new ATOM 58 N ARG A 5 -16.648 18.100 -10.557 1.00 0.00 N ATOM 59 CA ARG A 5 -15.923 17.592 -9.354 1.00 0.00 C ATOM 60 C ARG A 5 -15.451 16.152 -9.584 1.00 0.00 C ATOM 61 O ARG A 5 -15.272 15.719 -10.705 1.00 0.00 O ATOM 62 CB ARG A 5 -16.950 17.646 -8.223 1.00 0.00 C ATOM 63 CG ARG A 5 -17.365 19.098 -7.978 1.00 0.00 C ATOM 64 CD ARG A 5 -18.597 19.135 -7.070 1.00 0.00 C ATOM 65 NE ARG A 5 -18.054 19.046 -5.686 1.00 0.00 N ATOM 66 CZ ARG A 5 -18.867 18.969 -4.669 1.00 0.00 C ATOM 67 NH1 ARG A 5 -19.670 19.960 -4.397 1.00 0.00 N ATOM 68 NH2 ARG A 5 -18.876 17.898 -3.922 1.00 0.00 N ATOM 0 H ARG A 5 -17.528 17.628 -10.766 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.035 18.182 -9.128 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -17.823 17.046 -8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -16.528 17.219 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -16.545 19.648 -7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -17.585 19.589 -8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -19.166 20.054 -7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -19.271 18.306 -7.284 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.045 19.045 -5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -19.663 20.797 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -20.305 19.898 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.248 17.123 -4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.511 17.836 -3.126 1.00 0.00 H new ATOM 82 N THR A 6 -15.246 15.409 -8.529 1.00 0.00 N ATOM 83 CA THR A 6 -14.783 13.999 -8.683 1.00 0.00 C ATOM 84 C THR A 6 -15.749 13.048 -7.972 1.00 0.00 C ATOM 85 O THR A 6 -15.342 12.200 -7.202 1.00 0.00 O ATOM 86 CB THR A 6 -13.408 13.968 -8.023 1.00 0.00 C ATOM 87 OG1 THR A 6 -13.556 14.045 -6.610 1.00 0.00 O ATOM 88 CG2 THR A 6 -12.593 15.159 -8.523 1.00 0.00 C ATOM 0 H THR A 6 -15.379 15.718 -7.566 1.00 0.00 H new ATOM 0 HA THR A 6 -14.741 13.683 -9.725 1.00 0.00 H new ATOM 0 HB THR A 6 -12.895 13.040 -8.276 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.959 13.216 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.608 15.147 -8.057 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.484 15.096 -9.606 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.105 16.085 -8.263 1.00 0.00 H new ATOM 96 N PRO A 7 -17.001 13.233 -8.266 1.00 0.00 N ATOM 97 CA PRO A 7 -18.070 12.398 -7.664 1.00 0.00 C ATOM 98 C PRO A 7 -18.016 10.968 -8.213 1.00 0.00 C ATOM 99 O PRO A 7 -17.798 10.760 -9.390 1.00 0.00 O ATOM 100 CB PRO A 7 -19.356 13.105 -8.092 1.00 0.00 C ATOM 101 CG PRO A 7 -18.985 13.858 -9.331 1.00 0.00 C ATOM 102 CD PRO A 7 -17.534 14.238 -9.186 1.00 0.00 C ATOM 0 HA PRO A 7 -17.981 12.302 -6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -20.154 12.389 -8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -19.716 13.778 -7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -19.138 13.243 -10.218 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -19.608 14.745 -9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.017 14.217 -10.145 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.422 15.246 -8.786 1.00 0.00 H new ATOM 110 N PRO A 8 -18.218 10.028 -7.330 1.00 0.00 N ATOM 111 CA PRO A 8 -18.195 8.595 -7.714 1.00 0.00 C ATOM 112 C PRO A 8 -19.494 8.217 -8.430 1.00 0.00 C ATOM 113 O PRO A 8 -20.515 8.845 -8.250 1.00 0.00 O ATOM 114 CB PRO A 8 -18.086 7.869 -6.376 1.00 0.00 C ATOM 115 CG PRO A 8 -18.665 8.813 -5.368 1.00 0.00 C ATOM 116 CD PRO A 8 -18.484 10.213 -5.899 1.00 0.00 C ATOM 0 HA PRO A 8 -17.383 8.346 -8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.634 6.927 -6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.049 7.630 -6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.721 8.599 -5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.165 8.700 -4.406 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -19.375 10.819 -5.735 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.657 10.722 -5.404 1.00 0.00 H new ATOM 124 N ASN A 9 -19.463 7.195 -9.238 1.00 0.00 N ATOM 125 CA ASN A 9 -20.699 6.778 -9.965 1.00 0.00 C ATOM 126 C ASN A 9 -21.433 5.685 -9.190 1.00 0.00 C ATOM 127 O ASN A 9 -20.870 5.014 -8.348 1.00 0.00 O ATOM 128 CB ASN A 9 -20.205 6.244 -11.304 1.00 0.00 C ATOM 129 CG ASN A 9 -19.450 4.933 -11.081 1.00 0.00 C ATOM 130 OD1 ASN A 9 -18.236 4.912 -11.074 1.00 0.00 O ATOM 131 ND2 ASN A 9 -20.123 3.830 -10.897 1.00 0.00 N ATOM 0 H ASN A 9 -18.636 6.629 -9.428 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.402 7.602 -10.086 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -21.047 6.081 -11.976 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.553 6.975 -11.781 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.629 2.950 -10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.143 3.848 -10.903 1.00 0.00 H new ATOM 138 N CYS A 10 -22.688 5.504 -9.477 1.00 0.00 N ATOM 139 CA CYS A 10 -23.476 4.458 -8.769 1.00 0.00 C ATOM 140 C CYS A 10 -22.971 3.070 -9.161 1.00 0.00 C ATOM 141 O CYS A 10 -22.731 2.794 -10.320 1.00 0.00 O ATOM 142 CB CYS A 10 -24.909 4.628 -9.264 1.00 0.00 C ATOM 143 SG CYS A 10 -25.929 3.294 -8.608 1.00 0.00 S ATOM 0 H CYS A 10 -23.206 6.037 -10.175 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.394 4.555 -7.686 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.304 5.593 -8.946 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.933 4.617 -10.354 1.00 0.00 H new ATOM 148 N ALA A 11 -22.821 2.187 -8.217 1.00 0.00 N ATOM 149 CA ALA A 11 -22.347 0.822 -8.568 1.00 0.00 C ATOM 150 C ALA A 11 -23.522 -0.052 -9.000 1.00 0.00 C ATOM 151 O ALA A 11 -23.408 -0.872 -9.865 1.00 0.00 O ATOM 152 CB ALA A 11 -21.709 0.262 -7.301 1.00 0.00 C ATOM 0 H ALA A 11 -23.004 2.348 -7.227 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.639 0.845 -9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.339 -0.745 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.880 0.901 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.452 0.229 -6.504 1.00 0.00 H new ATOM 158 N ARG A 12 -24.661 0.117 -8.428 1.00 0.00 N ATOM 159 CA ARG A 12 -25.804 -0.732 -8.851 1.00 0.00 C ATOM 160 C ARG A 12 -25.904 -0.739 -10.362 1.00 0.00 C ATOM 161 O ARG A 12 -26.031 -1.771 -10.991 1.00 0.00 O ATOM 162 CB ARG A 12 -27.011 -0.045 -8.238 1.00 0.00 C ATOM 163 CG ARG A 12 -28.237 -0.923 -8.410 1.00 0.00 C ATOM 164 CD ARG A 12 -28.737 -1.379 -7.037 1.00 0.00 C ATOM 165 NE ARG A 12 -27.556 -2.012 -6.387 1.00 0.00 N ATOM 166 CZ ARG A 12 -27.729 -2.933 -5.480 1.00 0.00 C ATOM 167 NH1 ARG A 12 -28.297 -4.065 -5.798 1.00 0.00 N ATOM 168 NH2 ARG A 12 -27.339 -2.722 -4.253 1.00 0.00 N ATOM 0 H ARG A 12 -24.860 0.796 -7.693 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.711 -1.771 -8.536 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.834 0.147 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -27.173 0.922 -8.715 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -29.021 -0.373 -8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -27.994 -1.789 -9.026 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -29.105 -0.537 -6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -29.561 -2.086 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 12 -26.613 -1.726 -6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -28.606 -4.229 -6.756 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -28.432 -4.785 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -26.899 -1.837 -4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -27.474 -3.442 -3.544 1.00 0.00 H new ATOM 182 N CYS A 13 -25.857 0.407 -10.941 1.00 0.00 N ATOM 183 CA CYS A 13 -25.956 0.486 -12.424 1.00 0.00 C ATOM 184 C CYS A 13 -24.561 0.341 -13.080 1.00 0.00 C ATOM 185 O CYS A 13 -24.442 0.152 -14.281 1.00 0.00 O ATOM 186 CB CYS A 13 -26.613 1.848 -12.682 1.00 0.00 C ATOM 187 SG CYS A 13 -25.563 3.162 -12.118 1.00 0.00 S ATOM 0 H CYS A 13 -25.754 1.301 -10.461 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.543 -0.320 -12.864 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.813 1.966 -13.747 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.574 1.897 -12.170 1.00 0.00 H new ATOM 192 N ARG A 14 -23.502 0.389 -12.304 1.00 0.00 N ATOM 193 CA ARG A 14 -22.132 0.223 -12.891 1.00 0.00 C ATOM 194 C ARG A 14 -21.894 -1.236 -13.294 1.00 0.00 C ATOM 195 O ARG A 14 -20.913 -1.570 -13.929 1.00 0.00 O ATOM 196 CB ARG A 14 -21.189 0.642 -11.750 1.00 0.00 C ATOM 197 CG ARG A 14 -20.333 -0.542 -11.223 1.00 0.00 C ATOM 198 CD ARG A 14 -21.186 -1.593 -10.510 1.00 0.00 C ATOM 199 NE ARG A 14 -20.358 -2.834 -10.541 1.00 0.00 N ATOM 200 CZ ARG A 14 -19.152 -2.831 -10.042 1.00 0.00 C ATOM 201 NH1 ARG A 14 -18.955 -2.442 -8.811 1.00 0.00 N ATOM 202 NH2 ARG A 14 -18.143 -3.223 -10.772 1.00 0.00 N ATOM 0 H ARG A 14 -23.527 0.535 -11.295 1.00 0.00 H new ATOM 0 HA ARG A 14 -21.981 0.814 -13.794 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.529 1.436 -12.101 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.777 1.055 -10.930 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -19.806 -1.007 -12.056 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.575 -0.164 -10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.412 -1.293 -9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -22.140 -1.740 -11.017 1.00 0.00 H new ATOM 0 HE ARG A 14 -20.736 -3.687 -10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.744 -2.140 -8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.012 -2.440 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.297 -3.531 -11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.200 -3.221 -10.382 1.00 0.00 H new ATOM 216 N ASN A 15 -22.763 -2.101 -12.882 1.00 0.00 N ATOM 217 CA ASN A 15 -22.591 -3.541 -13.175 1.00 0.00 C ATOM 218 C ASN A 15 -22.943 -3.844 -14.618 1.00 0.00 C ATOM 219 O ASN A 15 -22.356 -4.691 -15.261 1.00 0.00 O ATOM 220 CB ASN A 15 -23.575 -4.191 -12.219 1.00 0.00 C ATOM 221 CG ASN A 15 -23.013 -4.033 -10.820 1.00 0.00 C ATOM 222 OD1 ASN A 15 -22.015 -4.632 -10.472 1.00 0.00 O ATOM 223 ND2 ASN A 15 -23.622 -3.233 -10.002 1.00 0.00 N ATOM 0 H ASN A 15 -23.599 -1.869 -12.346 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.568 -3.895 -13.048 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.554 -3.719 -12.296 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.709 -5.245 -12.463 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.264 -3.102 -9.056 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.459 -2.735 -10.304 1.00 0.00 H new ATOM 230 N HIS A 16 -23.913 -3.160 -15.117 1.00 0.00 N ATOM 231 CA HIS A 16 -24.351 -3.388 -16.510 1.00 0.00 C ATOM 232 C HIS A 16 -23.658 -2.410 -17.462 1.00 0.00 C ATOM 233 O HIS A 16 -23.701 -2.572 -18.666 1.00 0.00 O ATOM 234 CB HIS A 16 -25.849 -3.160 -16.428 1.00 0.00 C ATOM 235 CG HIS A 16 -26.396 -4.115 -15.423 1.00 0.00 C ATOM 236 ND1 HIS A 16 -27.111 -5.252 -15.783 1.00 0.00 N ATOM 237 CD2 HIS A 16 -26.308 -4.134 -14.064 1.00 0.00 C ATOM 238 CE1 HIS A 16 -27.421 -5.902 -14.648 1.00 0.00 C ATOM 239 NE2 HIS A 16 -26.958 -5.257 -13.581 1.00 0.00 N ATOM 0 H HIS A 16 -24.432 -2.440 -14.614 1.00 0.00 H new ATOM 0 HA HIS A 16 -24.102 -4.374 -16.902 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -26.064 -2.132 -16.136 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.314 -3.319 -17.401 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -27.355 -5.539 -16.731 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -25.810 -3.391 -13.459 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -27.975 -6.828 -14.608 1.00 0.00 H new ATOM 247 N GLY A 17 -23.002 -1.410 -16.939 1.00 0.00 N ATOM 248 CA GLY A 17 -22.292 -0.448 -17.833 1.00 0.00 C ATOM 249 C GLY A 17 -22.905 0.937 -17.683 1.00 0.00 C ATOM 250 O GLY A 17 -22.817 1.769 -18.563 1.00 0.00 O ATOM 0 H GLY A 17 -22.926 -1.217 -15.940 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.232 -0.417 -17.581 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.364 -0.778 -18.869 1.00 0.00 H new ATOM 254 N LEU A 18 -23.528 1.188 -16.571 1.00 0.00 N ATOM 255 CA LEU A 18 -24.153 2.516 -16.354 1.00 0.00 C ATOM 256 C LEU A 18 -23.176 3.433 -15.603 1.00 0.00 C ATOM 257 O LEU A 18 -22.323 2.980 -14.867 1.00 0.00 O ATOM 258 CB LEU A 18 -25.391 2.213 -15.511 1.00 0.00 C ATOM 259 CG LEU A 18 -26.570 3.058 -15.988 1.00 0.00 C ATOM 260 CD1 LEU A 18 -26.208 4.534 -15.891 1.00 0.00 C ATOM 261 CD2 LEU A 18 -26.896 2.703 -17.439 1.00 0.00 C ATOM 0 H LEU A 18 -23.632 0.528 -15.800 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.409 3.030 -17.280 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.640 1.154 -15.583 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.185 2.421 -14.461 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.440 2.857 -15.362 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -27.049 5.138 -16.231 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -25.977 4.785 -14.856 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.339 4.737 -16.516 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.738 3.306 -17.781 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -26.028 2.903 -18.067 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -27.156 1.646 -17.506 1.00 0.00 H new ATOM 273 N LYS A 19 -23.300 4.718 -15.786 1.00 0.00 N ATOM 274 CA LYS A 19 -22.392 5.677 -15.096 1.00 0.00 C ATOM 275 C LYS A 19 -23.126 7.004 -14.920 1.00 0.00 C ATOM 276 O LYS A 19 -23.141 7.848 -15.796 1.00 0.00 O ATOM 277 CB LYS A 19 -21.185 5.836 -16.020 1.00 0.00 C ATOM 278 CG LYS A 19 -19.915 5.962 -15.176 1.00 0.00 C ATOM 279 CD LYS A 19 -19.670 4.652 -14.424 1.00 0.00 C ATOM 280 CE LYS A 19 -18.540 3.876 -15.102 1.00 0.00 C ATOM 281 NZ LYS A 19 -18.004 2.977 -14.042 1.00 0.00 N ATOM 0 H LYS A 19 -23.999 5.149 -16.391 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.081 5.335 -14.109 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.108 4.978 -16.688 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.307 6.718 -16.648 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.062 6.192 -15.815 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.015 6.786 -14.470 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.411 4.860 -13.386 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.580 4.052 -14.411 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.908 3.306 -15.955 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.769 4.548 -15.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.223 2.410 -14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.655 3.548 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.759 2.344 -13.709 1.00 0.00 H new ATOM 295 N ILE A 20 -23.772 7.164 -13.806 1.00 0.00 N ATOM 296 CA ILE A 20 -24.565 8.404 -13.555 1.00 0.00 C ATOM 297 C ILE A 20 -23.864 9.314 -12.529 1.00 0.00 C ATOM 298 O ILE A 20 -24.324 10.406 -12.263 1.00 0.00 O ATOM 299 CB ILE A 20 -25.934 7.894 -13.027 1.00 0.00 C ATOM 300 CG1 ILE A 20 -26.036 8.045 -11.512 1.00 0.00 C ATOM 301 CG2 ILE A 20 -26.164 6.435 -13.440 1.00 0.00 C ATOM 302 CD1 ILE A 20 -25.565 6.780 -10.852 1.00 0.00 C ATOM 0 H ILE A 20 -23.788 6.484 -13.046 1.00 0.00 H new ATOM 0 HA ILE A 20 -24.677 9.012 -14.452 1.00 0.00 H new ATOM 0 HB ILE A 20 -26.714 8.509 -13.477 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.432 8.889 -11.178 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.066 8.256 -11.225 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.128 6.097 -13.060 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.155 6.359 -14.527 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.372 5.811 -13.026 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.637 6.886 -9.770 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.187 5.946 -11.177 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.528 6.589 -11.130 1.00 0.00 H new ATOM 314 N THR A 21 -22.790 8.852 -11.930 1.00 0.00 N ATOM 315 CA THR A 21 -22.066 9.662 -10.882 1.00 0.00 C ATOM 316 C THR A 21 -22.764 9.513 -9.515 1.00 0.00 C ATOM 317 O THR A 21 -22.402 10.142 -8.539 1.00 0.00 O ATOM 318 CB THR A 21 -22.121 11.117 -11.342 1.00 0.00 C ATOM 319 OG1 THR A 21 -21.987 11.175 -12.755 1.00 0.00 O ATOM 320 CG2 THR A 21 -20.990 11.908 -10.684 1.00 0.00 C ATOM 0 H THR A 21 -22.376 7.939 -12.121 1.00 0.00 H new ATOM 0 HA THR A 21 -21.037 9.322 -10.766 1.00 0.00 H new ATOM 0 HB THR A 21 -23.078 11.551 -11.053 1.00 0.00 H new ATOM 0 HG1 THR A 21 -22.024 12.109 -13.049 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.032 12.946 -11.014 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.100 11.867 -9.600 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.031 11.475 -10.968 1.00 0.00 H new ATOM 328 N LEU A 22 -23.758 8.675 -9.458 1.00 0.00 N ATOM 329 CA LEU A 22 -24.515 8.428 -8.182 1.00 0.00 C ATOM 330 C LEU A 22 -24.876 9.743 -7.480 1.00 0.00 C ATOM 331 O LEU A 22 -25.188 9.766 -6.306 1.00 0.00 O ATOM 332 CB LEU A 22 -23.567 7.570 -7.338 1.00 0.00 C ATOM 333 CG LEU A 22 -24.037 7.497 -5.880 1.00 0.00 C ATOM 334 CD1 LEU A 22 -25.511 7.087 -5.825 1.00 0.00 C ATOM 335 CD2 LEU A 22 -23.201 6.453 -5.138 1.00 0.00 C ATOM 0 H LEU A 22 -24.092 8.134 -10.256 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.470 7.931 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.512 6.565 -7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.561 7.987 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.918 8.475 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -25.836 7.038 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -26.113 7.822 -6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -25.634 6.109 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.529 6.395 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.328 5.480 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -22.150 6.739 -5.171 1.00 0.00 H new ATOM 347 N LYS A 23 -24.873 10.838 -8.188 1.00 0.00 N ATOM 348 CA LYS A 23 -25.249 12.130 -7.548 1.00 0.00 C ATOM 349 C LYS A 23 -26.774 12.259 -7.539 1.00 0.00 C ATOM 350 O LYS A 23 -27.402 12.287 -8.580 1.00 0.00 O ATOM 351 CB LYS A 23 -24.618 13.212 -8.424 1.00 0.00 C ATOM 352 CG LYS A 23 -24.554 14.526 -7.645 1.00 0.00 C ATOM 353 CD LYS A 23 -23.551 14.389 -6.498 1.00 0.00 C ATOM 354 CE LYS A 23 -23.413 15.732 -5.776 1.00 0.00 C ATOM 355 NZ LYS A 23 -21.944 15.970 -5.684 1.00 0.00 N ATOM 0 H LYS A 23 -24.628 10.895 -9.177 1.00 0.00 H new ATOM 0 HA LYS A 23 -24.906 12.208 -6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -23.617 12.909 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.203 13.345 -9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.257 15.340 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -25.539 14.777 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.884 13.621 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.583 14.070 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.909 16.530 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.870 15.698 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.768 16.874 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.500 15.198 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.537 16.005 -6.641 1.00 0.00 H new ATOM 369 N GLY A 24 -27.385 12.310 -6.383 1.00 0.00 N ATOM 370 CA GLY A 24 -28.874 12.402 -6.351 1.00 0.00 C ATOM 371 C GLY A 24 -29.413 11.339 -7.305 1.00 0.00 C ATOM 372 O GLY A 24 -30.228 11.605 -8.167 1.00 0.00 O ATOM 0 H GLY A 24 -26.925 12.292 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.248 12.237 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.205 13.395 -6.655 1.00 0.00 H new ATOM 376 N HIS A 25 -28.916 10.140 -7.175 1.00 0.00 N ATOM 377 CA HIS A 25 -29.330 9.039 -8.086 1.00 0.00 C ATOM 378 C HIS A 25 -30.136 7.968 -7.342 1.00 0.00 C ATOM 379 O HIS A 25 -31.293 8.162 -7.039 1.00 0.00 O ATOM 380 CB HIS A 25 -27.994 8.489 -8.570 1.00 0.00 C ATOM 381 CG HIS A 25 -28.185 7.306 -9.476 1.00 0.00 C ATOM 382 ND1 HIS A 25 -28.808 7.406 -10.711 1.00 0.00 N ATOM 383 CD2 HIS A 25 -27.723 6.018 -9.394 1.00 0.00 C ATOM 384 CE1 HIS A 25 -28.676 6.214 -11.318 1.00 0.00 C ATOM 385 NE2 HIS A 25 -28.033 5.343 -10.550 1.00 0.00 N ATOM 0 H HIS A 25 -28.232 9.874 -6.467 1.00 0.00 H new ATOM 0 HA HIS A 25 -29.982 9.370 -8.894 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.447 9.270 -9.099 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.386 8.199 -7.713 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -29.278 8.229 -11.088 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -27.196 5.598 -8.550 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -29.047 5.992 -12.308 1.00 0.00 H new ATOM 393 N LYS A 26 -29.542 6.835 -7.056 1.00 0.00 N ATOM 394 CA LYS A 26 -30.285 5.752 -6.352 1.00 0.00 C ATOM 395 C LYS A 26 -31.682 5.602 -6.964 1.00 0.00 C ATOM 396 O LYS A 26 -31.878 4.867 -7.912 1.00 0.00 O ATOM 397 CB LYS A 26 -30.376 6.205 -4.892 1.00 0.00 C ATOM 398 CG LYS A 26 -29.333 5.459 -4.058 1.00 0.00 C ATOM 399 CD LYS A 26 -29.896 4.102 -3.634 1.00 0.00 C ATOM 400 CE LYS A 26 -29.098 3.566 -2.442 1.00 0.00 C ATOM 401 NZ LYS A 26 -30.052 2.695 -1.698 1.00 0.00 N ATOM 0 H LYS A 26 -28.572 6.616 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.791 4.784 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.210 7.280 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -31.375 6.011 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -28.420 5.321 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -29.068 6.046 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -30.948 4.201 -3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -29.844 3.399 -4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -28.225 3.003 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -28.734 4.379 -1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -29.577 2.291 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -30.869 3.259 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -30.377 1.926 -2.319 1.00 0.00 H new ATOM 415 N ARG A 27 -32.649 6.306 -6.442 1.00 0.00 N ATOM 416 CA ARG A 27 -34.027 6.219 -7.010 1.00 0.00 C ATOM 417 C ARG A 27 -33.969 6.398 -8.530 1.00 0.00 C ATOM 418 O ARG A 27 -34.861 5.997 -9.251 1.00 0.00 O ATOM 419 CB ARG A 27 -34.801 7.376 -6.371 1.00 0.00 C ATOM 420 CG ARG A 27 -34.547 7.400 -4.864 1.00 0.00 C ATOM 421 CD ARG A 27 -35.806 7.879 -4.138 1.00 0.00 C ATOM 422 NE ARG A 27 -35.551 9.315 -3.836 1.00 0.00 N ATOM 423 CZ ARG A 27 -35.520 10.190 -4.804 1.00 0.00 C ATOM 424 NH1 ARG A 27 -36.256 10.015 -5.868 1.00 0.00 N ATOM 425 NH2 ARG A 27 -34.756 11.245 -4.706 1.00 0.00 N ATOM 0 H ARG A 27 -32.546 6.937 -5.648 1.00 0.00 H new ATOM 0 HA ARG A 27 -34.498 5.257 -6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.492 8.322 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -35.867 7.265 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -34.271 6.405 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -33.710 8.061 -4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -36.692 7.758 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -35.977 7.308 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 27 -35.401 9.615 -2.873 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -36.856 9.194 -5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -36.231 10.700 -6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -34.184 11.385 -3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -34.732 11.929 -5.462 1.00 0.00 H new ATOM 439 N TYR A 28 -32.921 7.008 -9.018 1.00 0.00 N ATOM 440 CA TYR A 28 -32.789 7.231 -10.486 1.00 0.00 C ATOM 441 C TYR A 28 -32.012 6.081 -11.132 1.00 0.00 C ATOM 442 O TYR A 28 -31.785 6.065 -12.325 1.00 0.00 O ATOM 443 CB TYR A 28 -31.991 8.530 -10.609 1.00 0.00 C ATOM 444 CG TYR A 28 -32.820 9.692 -10.114 1.00 0.00 C ATOM 445 CD1 TYR A 28 -33.193 9.768 -8.766 1.00 0.00 C ATOM 446 CD2 TYR A 28 -33.209 10.699 -11.005 1.00 0.00 C ATOM 447 CE1 TYR A 28 -33.956 10.849 -8.310 1.00 0.00 C ATOM 448 CE2 TYR A 28 -33.971 11.780 -10.548 1.00 0.00 C ATOM 449 CZ TYR A 28 -34.345 11.857 -9.202 1.00 0.00 C ATOM 450 OH TYR A 28 -35.095 12.924 -8.755 1.00 0.00 O ATOM 0 H TYR A 28 -32.146 7.363 -8.458 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.758 7.284 -10.983 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.070 8.457 -10.031 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -31.704 8.693 -11.648 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -32.892 8.992 -8.078 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -32.921 10.642 -12.044 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -34.245 10.906 -7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -34.271 12.557 -11.236 1.00 0.00 H new ATOM 0 HH TYR A 28 -35.277 13.532 -9.502 1.00 0.00 H new ATOM 460 N CYS A 29 -31.586 5.131 -10.349 1.00 0.00 N ATOM 461 CA CYS A 29 -30.804 3.996 -10.916 1.00 0.00 C ATOM 462 C CYS A 29 -31.655 3.112 -11.813 1.00 0.00 C ATOM 463 O CYS A 29 -32.824 2.901 -11.578 1.00 0.00 O ATOM 464 CB CYS A 29 -30.350 3.168 -9.708 1.00 0.00 C ATOM 465 SG CYS A 29 -28.961 2.109 -10.194 1.00 0.00 S ATOM 0 H CYS A 29 -31.745 5.090 -9.342 1.00 0.00 H new ATOM 0 HA CYS A 29 -29.979 4.373 -11.521 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -30.052 3.827 -8.893 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -31.175 2.559 -9.340 1.00 0.00 H new ATOM 470 N LYS A 30 -31.046 2.536 -12.802 1.00 0.00 N ATOM 471 CA LYS A 30 -31.790 1.582 -13.665 1.00 0.00 C ATOM 472 C LYS A 30 -31.550 0.179 -13.084 1.00 0.00 C ATOM 473 O LYS A 30 -31.805 -0.831 -13.707 1.00 0.00 O ATOM 474 CB LYS A 30 -31.184 1.717 -15.062 1.00 0.00 C ATOM 475 CG LYS A 30 -32.307 1.893 -16.086 1.00 0.00 C ATOM 476 CD LYS A 30 -32.181 0.814 -17.164 1.00 0.00 C ATOM 477 CE LYS A 30 -32.002 1.477 -18.533 1.00 0.00 C ATOM 478 NZ LYS A 30 -33.029 0.841 -19.406 1.00 0.00 N ATOM 0 H LYS A 30 -30.068 2.682 -13.052 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.863 1.768 -13.711 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -30.508 2.571 -15.096 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.593 0.833 -15.302 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -33.277 1.821 -15.595 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -32.251 2.883 -16.538 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -31.331 0.167 -16.948 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -33.070 0.183 -17.167 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -32.149 2.555 -18.472 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.997 1.314 -18.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -32.969 1.244 -20.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -32.860 -0.184 -19.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -33.976 1.019 -19.014 1.00 0.00 H new ATOM 492 N PHE A 31 -31.043 0.146 -11.872 1.00 0.00 N ATOM 493 CA PHE A 31 -30.741 -1.130 -11.165 1.00 0.00 C ATOM 494 C PHE A 31 -31.065 -0.938 -9.680 1.00 0.00 C ATOM 495 O PHE A 31 -30.650 -1.704 -8.836 1.00 0.00 O ATOM 496 CB PHE A 31 -29.234 -1.310 -11.377 1.00 0.00 C ATOM 497 CG PHE A 31 -28.952 -1.252 -12.854 1.00 0.00 C ATOM 498 CD1 PHE A 31 -28.775 -0.015 -13.480 1.00 0.00 C ATOM 499 CD2 PHE A 31 -28.877 -2.431 -13.599 1.00 0.00 C ATOM 500 CE1 PHE A 31 -28.522 0.045 -14.851 1.00 0.00 C ATOM 501 CE2 PHE A 31 -28.624 -2.374 -14.972 1.00 0.00 C ATOM 502 CZ PHE A 31 -28.446 -1.134 -15.601 1.00 0.00 C ATOM 0 H PHE A 31 -30.821 0.982 -11.332 1.00 0.00 H new ATOM 0 HA PHE A 31 -31.308 -1.991 -11.520 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.682 -0.529 -10.854 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.904 -2.264 -10.965 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.834 0.895 -12.902 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -29.014 -3.386 -13.114 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.385 1.002 -15.333 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.566 -3.285 -15.549 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.251 -1.089 -16.662 1.00 0.00 H new ATOM 512 N ARG A 32 -31.798 0.103 -9.363 1.00 0.00 N ATOM 513 CA ARG A 32 -32.147 0.387 -7.937 1.00 0.00 C ATOM 514 C ARG A 32 -32.552 -0.894 -7.216 1.00 0.00 C ATOM 515 O ARG A 32 -32.472 -0.994 -6.008 1.00 0.00 O ATOM 516 CB ARG A 32 -33.331 1.380 -7.932 1.00 0.00 C ATOM 517 CG ARG A 32 -34.114 1.373 -9.259 1.00 0.00 C ATOM 518 CD ARG A 32 -34.431 -0.056 -9.706 1.00 0.00 C ATOM 519 NE ARG A 32 -35.703 0.058 -10.473 1.00 0.00 N ATOM 520 CZ ARG A 32 -35.702 -0.128 -11.766 1.00 0.00 C ATOM 521 NH1 ARG A 32 -35.306 0.826 -12.561 1.00 0.00 N ATOM 522 NH2 ARG A 32 -36.099 -1.268 -12.261 1.00 0.00 N ATOM 0 H ARG A 32 -32.171 0.772 -10.037 1.00 0.00 H new ATOM 0 HA ARG A 32 -31.283 0.806 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -34.007 1.130 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -32.957 2.386 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -35.041 1.934 -9.140 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -33.532 1.878 -10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -33.631 -0.463 -10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -34.543 -0.722 -8.851 1.00 0.00 H new ATOM 0 HE ARG A 32 -36.573 0.281 -9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -34.997 1.717 -12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -35.305 0.681 -13.571 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -36.410 -2.014 -11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -36.098 -1.414 -13.271 1.00 0.00 H new ATOM 536 N TYR A 33 -32.999 -1.868 -7.947 1.00 0.00 N ATOM 537 CA TYR A 33 -33.426 -3.141 -7.300 1.00 0.00 C ATOM 538 C TYR A 33 -32.851 -4.342 -8.045 1.00 0.00 C ATOM 539 O TYR A 33 -33.153 -5.476 -7.731 1.00 0.00 O ATOM 540 CB TYR A 33 -34.952 -3.135 -7.385 1.00 0.00 C ATOM 541 CG TYR A 33 -35.493 -1.991 -6.562 1.00 0.00 C ATOM 542 CD1 TYR A 33 -35.189 -1.904 -5.197 1.00 0.00 C ATOM 543 CD2 TYR A 33 -36.296 -1.016 -7.163 1.00 0.00 C ATOM 544 CE1 TYR A 33 -35.687 -0.840 -4.436 1.00 0.00 C ATOM 545 CE2 TYR A 33 -36.795 0.047 -6.401 1.00 0.00 C ATOM 546 CZ TYR A 33 -36.491 0.136 -5.038 1.00 0.00 C ATOM 547 OH TYR A 33 -36.982 1.184 -4.288 1.00 0.00 O ATOM 0 H TYR A 33 -33.089 -1.843 -8.963 1.00 0.00 H new ATOM 0 HA TYR A 33 -33.074 -3.216 -6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -35.269 -3.033 -8.423 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.352 -4.081 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -34.571 -2.658 -4.732 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -36.531 -1.083 -8.215 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -35.451 -0.772 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.415 0.799 -6.866 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.520 1.771 -4.859 1.00 0.00 H new ATOM 557 N CYS A 34 -32.021 -4.111 -9.024 1.00 0.00 N ATOM 558 CA CYS A 34 -31.433 -5.259 -9.763 1.00 0.00 C ATOM 559 C CYS A 34 -30.959 -6.312 -8.765 1.00 0.00 C ATOM 560 O CYS A 34 -30.880 -6.067 -7.578 1.00 0.00 O ATOM 561 CB CYS A 34 -30.240 -4.692 -10.530 1.00 0.00 C ATOM 562 SG CYS A 34 -29.544 -5.983 -11.584 1.00 0.00 S ATOM 0 H CYS A 34 -31.728 -3.187 -9.341 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.153 -5.728 -10.434 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.553 -3.841 -11.135 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.485 -4.328 -9.834 1.00 0.00 H new ATOM 567 N THR A 35 -30.641 -7.479 -9.235 1.00 0.00 N ATOM 568 CA THR A 35 -30.168 -8.545 -8.310 1.00 0.00 C ATOM 569 C THR A 35 -29.102 -9.407 -8.989 1.00 0.00 C ATOM 570 O THR A 35 -28.661 -10.398 -8.441 1.00 0.00 O ATOM 571 CB THR A 35 -31.413 -9.376 -7.997 1.00 0.00 C ATOM 572 OG1 THR A 35 -31.980 -9.851 -9.210 1.00 0.00 O ATOM 573 CG2 THR A 35 -32.435 -8.510 -7.257 1.00 0.00 C ATOM 0 H THR A 35 -30.687 -7.744 -10.219 1.00 0.00 H new ATOM 0 HA THR A 35 -29.712 -8.136 -7.408 1.00 0.00 H new ATOM 0 HB THR A 35 -31.137 -10.223 -7.369 1.00 0.00 H new ATOM 0 HG1 THR A 35 -32.777 -10.385 -9.011 1.00 0.00 H new ATOM 0 HG21 THR A 35 -33.322 -9.104 -7.035 1.00 0.00 H new ATOM 0 HG22 THR A 35 -31.999 -8.147 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.714 -7.662 -7.882 1.00 0.00 H new ATOM 581 N CYS A 36 -28.670 -9.044 -10.169 1.00 0.00 N ATOM 582 CA CYS A 36 -27.622 -9.863 -10.835 1.00 0.00 C ATOM 583 C CYS A 36 -26.506 -10.132 -9.815 1.00 0.00 C ATOM 584 O CYS A 36 -26.484 -9.543 -8.752 1.00 0.00 O ATOM 585 CB CYS A 36 -27.131 -9.024 -12.013 1.00 0.00 C ATOM 586 SG CYS A 36 -26.145 -7.643 -11.411 1.00 0.00 S ATOM 0 H CYS A 36 -28.993 -8.229 -10.691 1.00 0.00 H new ATOM 0 HA CYS A 36 -27.981 -10.829 -11.191 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.536 -9.640 -12.687 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.981 -8.653 -12.586 1.00 0.00 H new ATOM 591 N GLU A 37 -25.597 -11.022 -10.097 1.00 0.00 N ATOM 592 CA GLU A 37 -24.525 -11.314 -9.096 1.00 0.00 C ATOM 593 C GLU A 37 -23.434 -10.239 -9.117 1.00 0.00 C ATOM 594 O GLU A 37 -22.446 -10.338 -8.417 1.00 0.00 O ATOM 595 CB GLU A 37 -23.955 -12.673 -9.504 1.00 0.00 C ATOM 596 CG GLU A 37 -23.230 -12.549 -10.845 1.00 0.00 C ATOM 597 CD GLU A 37 -23.052 -13.941 -11.454 1.00 0.00 C ATOM 598 OE1 GLU A 37 -22.084 -14.599 -11.107 1.00 0.00 O ATOM 599 OE2 GLU A 37 -23.887 -14.328 -12.254 1.00 0.00 O ATOM 0 H GLU A 37 -25.546 -11.556 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.919 -11.323 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -23.266 -13.033 -8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -24.758 -13.406 -9.581 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -23.800 -11.913 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -22.259 -12.074 -10.704 1.00 0.00 H new ATOM 606 N LYS A 38 -23.614 -9.203 -9.884 1.00 0.00 N ATOM 607 CA LYS A 38 -22.593 -8.115 -9.921 1.00 0.00 C ATOM 608 C LYS A 38 -23.123 -6.921 -9.141 1.00 0.00 C ATOM 609 O LYS A 38 -22.382 -6.070 -8.689 1.00 0.00 O ATOM 610 CB LYS A 38 -22.424 -7.764 -11.400 1.00 0.00 C ATOM 611 CG LYS A 38 -21.049 -8.232 -11.879 1.00 0.00 C ATOM 612 CD LYS A 38 -21.220 -9.208 -13.044 1.00 0.00 C ATOM 613 CE LYS A 38 -22.062 -8.555 -14.141 1.00 0.00 C ATOM 614 NZ LYS A 38 -23.170 -9.517 -14.400 1.00 0.00 N ATOM 0 H LYS A 38 -24.423 -9.060 -10.488 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.642 -8.409 -9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.208 -8.239 -11.990 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.525 -6.688 -11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.451 -7.376 -12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.512 -8.715 -11.062 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.245 -9.491 -13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.702 -10.123 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.447 -7.587 -13.820 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.472 -8.381 -15.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.811 -9.123 -15.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.776 -10.416 -14.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.698 -9.684 -13.520 1.00 0.00 H new ATOM 628 N CYS A 39 -24.408 -6.883 -8.950 1.00 0.00 N ATOM 629 CA CYS A 39 -25.023 -5.788 -8.172 1.00 0.00 C ATOM 630 C CYS A 39 -24.999 -6.212 -6.710 1.00 0.00 C ATOM 631 O CYS A 39 -24.716 -5.433 -5.821 1.00 0.00 O ATOM 632 CB CYS A 39 -26.458 -5.693 -8.691 1.00 0.00 C ATOM 633 SG CYS A 39 -26.589 -4.358 -9.901 1.00 0.00 S ATOM 0 H CYS A 39 -25.065 -7.577 -9.307 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.515 -4.828 -8.266 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.752 -6.638 -9.147 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.142 -5.512 -7.862 1.00 0.00 H new ATOM 638 N ARG A 40 -25.258 -7.473 -6.466 1.00 0.00 N ATOM 639 CA ARG A 40 -25.210 -7.986 -5.075 1.00 0.00 C ATOM 640 C ARG A 40 -23.744 -8.123 -4.682 1.00 0.00 C ATOM 641 O ARG A 40 -23.349 -7.841 -3.568 1.00 0.00 O ATOM 642 CB ARG A 40 -25.892 -9.355 -5.120 1.00 0.00 C ATOM 643 CG ARG A 40 -27.407 -9.181 -5.004 1.00 0.00 C ATOM 644 CD ARG A 40 -28.111 -10.326 -5.737 1.00 0.00 C ATOM 645 NE ARG A 40 -28.065 -11.475 -4.790 1.00 0.00 N ATOM 646 CZ ARG A 40 -28.804 -12.528 -5.007 1.00 0.00 C ATOM 647 NH1 ARG A 40 -28.434 -13.414 -5.892 1.00 0.00 N ATOM 648 NH2 ARG A 40 -29.913 -12.695 -4.340 1.00 0.00 N ATOM 0 H ARG A 40 -25.500 -8.165 -7.175 1.00 0.00 H new ATOM 0 HA ARG A 40 -25.703 -7.335 -4.353 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -25.645 -9.864 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.525 -9.982 -4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.703 -9.170 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -27.707 -8.224 -5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -29.138 -10.062 -5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -27.606 -10.565 -6.673 1.00 0.00 H new ATOM 0 HE ARG A 40 -27.456 -11.438 -3.972 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -27.567 -13.283 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -29.012 -14.237 -6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -30.202 -12.002 -3.649 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -30.491 -13.518 -4.509 1.00 0.00 H new ATOM 662 N LEU A 41 -22.931 -8.529 -5.619 1.00 0.00 N ATOM 663 CA LEU A 41 -21.474 -8.660 -5.346 1.00 0.00 C ATOM 664 C LEU A 41 -20.918 -7.278 -5.017 1.00 0.00 C ATOM 665 O LEU A 41 -20.047 -7.121 -4.186 1.00 0.00 O ATOM 666 CB LEU A 41 -20.875 -9.207 -6.649 1.00 0.00 C ATOM 667 CG LEU A 41 -19.399 -8.809 -6.769 1.00 0.00 C ATOM 668 CD1 LEU A 41 -18.695 -9.006 -5.425 1.00 0.00 C ATOM 669 CD2 LEU A 41 -18.720 -9.682 -7.827 1.00 0.00 C ATOM 0 H LEU A 41 -23.216 -8.777 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.243 -9.316 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.968 -10.293 -6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -21.432 -8.821 -7.503 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.335 -7.760 -7.059 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.647 -8.721 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.174 -8.384 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.762 -10.053 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.671 -9.400 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.791 -10.730 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -19.214 -9.539 -8.788 1.00 0.00 H new ATOM 681 N THR A 42 -21.441 -6.275 -5.660 1.00 0.00 N ATOM 682 CA THR A 42 -20.980 -4.886 -5.391 1.00 0.00 C ATOM 683 C THR A 42 -21.402 -4.478 -3.983 1.00 0.00 C ATOM 684 O THR A 42 -20.600 -4.417 -3.071 1.00 0.00 O ATOM 685 CB THR A 42 -21.701 -4.036 -6.434 1.00 0.00 C ATOM 686 OG1 THR A 42 -21.051 -4.174 -7.689 1.00 0.00 O ATOM 687 CG2 THR A 42 -21.682 -2.569 -6.006 1.00 0.00 C ATOM 0 H THR A 42 -22.173 -6.357 -6.365 1.00 0.00 H new ATOM 0 HA THR A 42 -19.897 -4.774 -5.451 1.00 0.00 H new ATOM 0 HB THR A 42 -22.734 -4.371 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 42 -21.669 -4.575 -8.335 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.198 -1.965 -6.753 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.185 -2.464 -5.045 1.00 0.00 H new ATOM 0 HG23 THR A 42 -20.650 -2.230 -5.915 1.00 0.00 H new ATOM 695 N ALA A 43 -22.665 -4.214 -3.810 1.00 0.00 N ATOM 696 CA ALA A 43 -23.174 -3.825 -2.465 1.00 0.00 C ATOM 697 C ALA A 43 -22.517 -4.712 -1.408 1.00 0.00 C ATOM 698 O ALA A 43 -22.318 -4.316 -0.277 1.00 0.00 O ATOM 699 CB ALA A 43 -24.681 -4.081 -2.529 1.00 0.00 C ATOM 0 H ALA A 43 -23.371 -4.251 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 43 -22.955 -2.789 -2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -25.135 -3.819 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -25.120 -3.472 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -24.862 -5.135 -2.740 1.00 0.00 H new ATOM 705 N ASP A 44 -22.169 -5.911 -1.785 1.00 0.00 N ATOM 706 CA ASP A 44 -21.509 -6.842 -0.832 1.00 0.00 C ATOM 707 C ASP A 44 -20.012 -6.529 -0.763 1.00 0.00 C ATOM 708 O ASP A 44 -19.406 -6.566 0.290 1.00 0.00 O ATOM 709 CB ASP A 44 -21.742 -8.229 -1.429 1.00 0.00 C ATOM 710 CG ASP A 44 -21.232 -9.299 -0.460 1.00 0.00 C ATOM 711 OD1 ASP A 44 -21.786 -9.404 0.622 1.00 0.00 O ATOM 712 OD2 ASP A 44 -20.297 -9.996 -0.818 1.00 0.00 O ATOM 0 H ASP A 44 -22.316 -6.287 -2.722 1.00 0.00 H new ATOM 0 HA ASP A 44 -21.901 -6.763 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -22.804 -8.378 -1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -21.227 -8.315 -2.386 1.00 0.00 H new ATOM 717 N ARG A 45 -19.415 -6.216 -1.882 1.00 0.00 N ATOM 718 CA ARG A 45 -17.960 -5.894 -1.888 1.00 0.00 C ATOM 719 C ARG A 45 -17.639 -4.921 -0.752 1.00 0.00 C ATOM 720 O ARG A 45 -16.731 -5.137 0.027 1.00 0.00 O ATOM 721 CB ARG A 45 -17.705 -5.237 -3.246 1.00 0.00 C ATOM 722 CG ARG A 45 -16.236 -5.418 -3.633 1.00 0.00 C ATOM 723 CD ARG A 45 -16.031 -6.815 -4.226 1.00 0.00 C ATOM 724 NE ARG A 45 -14.867 -7.379 -3.489 1.00 0.00 N ATOM 725 CZ ARG A 45 -14.636 -8.663 -3.521 1.00 0.00 C ATOM 726 NH1 ARG A 45 -15.318 -9.468 -2.754 1.00 0.00 N ATOM 727 NH2 ARG A 45 -13.722 -9.141 -4.321 1.00 0.00 N ATOM 0 H ARG A 45 -19.873 -6.170 -2.792 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.337 -6.776 -1.742 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.349 -5.682 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.952 -4.176 -3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.944 -4.658 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.600 -5.286 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.919 -7.434 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.833 -6.764 -5.297 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.251 -6.762 -2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.032 -9.094 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.137 -10.472 -2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.189 -8.511 -4.921 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.541 -10.144 -4.347 1.00 0.00 H new ATOM 741 N GLN A 46 -18.380 -3.851 -0.649 1.00 0.00 N ATOM 742 CA GLN A 46 -18.120 -2.866 0.441 1.00 0.00 C ATOM 743 C GLN A 46 -19.207 -2.969 1.515 1.00 0.00 C ATOM 744 O GLN A 46 -20.105 -2.153 1.581 1.00 0.00 O ATOM 745 CB GLN A 46 -18.167 -1.500 -0.240 1.00 0.00 C ATOM 746 CG GLN A 46 -16.777 -1.140 -0.767 1.00 0.00 C ATOM 747 CD GLN A 46 -16.916 -0.219 -1.979 1.00 0.00 C ATOM 748 OE1 GLN A 46 -16.382 -0.499 -3.034 1.00 0.00 O ATOM 749 NE2 GLN A 46 -17.616 0.876 -1.871 1.00 0.00 N ATOM 0 H GLN A 46 -19.153 -3.616 -1.271 1.00 0.00 H new ATOM 0 HA GLN A 46 -17.165 -3.040 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.885 -1.516 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -18.507 -0.742 0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -16.197 -0.647 0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.236 -2.045 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -18.064 1.110 -0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.716 1.499 -2.673 1.00 0.00 H new ATOM 758 N ARG A 47 -19.132 -3.965 2.353 1.00 0.00 N ATOM 759 CA ARG A 47 -20.161 -4.124 3.421 1.00 0.00 C ATOM 760 C ARG A 47 -19.754 -3.341 4.671 1.00 0.00 C ATOM 761 O ARG A 47 -19.310 -3.905 5.652 1.00 0.00 O ATOM 762 CB ARG A 47 -20.188 -5.624 3.715 1.00 0.00 C ATOM 763 CG ARG A 47 -21.283 -5.925 4.741 1.00 0.00 C ATOM 764 CD ARG A 47 -21.106 -7.349 5.273 1.00 0.00 C ATOM 765 NE ARG A 47 -21.556 -7.287 6.692 1.00 0.00 N ATOM 766 CZ ARG A 47 -22.412 -8.162 7.144 1.00 0.00 C ATOM 767 NH1 ARG A 47 -23.678 -8.052 6.847 1.00 0.00 N ATOM 768 NH2 ARG A 47 -22.002 -9.149 7.892 1.00 0.00 N ATOM 0 H ARG A 47 -18.402 -4.677 2.345 1.00 0.00 H new ATOM 0 HA ARG A 47 -21.137 -3.747 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.372 -6.182 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.219 -5.948 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -21.233 -5.210 5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -22.266 -5.816 4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -21.701 -8.061 4.701 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.067 -7.671 5.202 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.195 -6.560 7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -23.999 -7.281 6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.346 -8.737 7.201 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.012 -9.237 8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.671 -9.833 8.245 1.00 0.00 H new ATOM 782 N VAL A 48 -19.899 -2.044 4.647 1.00 0.00 N ATOM 783 CA VAL A 48 -19.519 -1.230 5.837 1.00 0.00 C ATOM 784 C VAL A 48 -20.300 0.088 5.846 1.00 0.00 C ATOM 785 O VAL A 48 -19.790 1.125 5.471 1.00 0.00 O ATOM 786 CB VAL A 48 -18.022 -0.970 5.673 1.00 0.00 C ATOM 787 CG1 VAL A 48 -17.764 -0.314 4.315 1.00 0.00 C ATOM 788 CG2 VAL A 48 -17.539 -0.041 6.788 1.00 0.00 C ATOM 0 H VAL A 48 -20.264 -1.513 3.856 1.00 0.00 H new ATOM 0 HA VAL A 48 -19.743 -1.736 6.776 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.482 -1.915 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.696 -0.128 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -18.107 -0.976 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -18.305 0.631 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.471 0.144 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -18.079 0.904 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -17.722 -0.508 7.756 1.00 0.00 H new ATOM 798 N MET A 49 -21.534 0.054 6.271 1.00 0.00 N ATOM 799 CA MET A 49 -22.346 1.304 6.302 1.00 0.00 C ATOM 800 C MET A 49 -22.661 1.696 7.748 1.00 0.00 C ATOM 801 O MET A 49 -23.144 2.779 8.017 1.00 0.00 O ATOM 802 CB MET A 49 -23.631 0.960 5.549 1.00 0.00 C ATOM 803 CG MET A 49 -24.554 2.181 5.530 1.00 0.00 C ATOM 804 SD MET A 49 -23.817 3.479 4.506 1.00 0.00 S ATOM 805 CE MET A 49 -24.848 3.219 3.041 1.00 0.00 C ATOM 0 H MET A 49 -22.014 -0.784 6.598 1.00 0.00 H new ATOM 0 HA MET A 49 -21.822 2.147 5.852 1.00 0.00 H new ATOM 0 HB2 MET A 49 -23.397 0.652 4.530 1.00 0.00 H new ATOM 0 HB3 MET A 49 -24.132 0.119 6.029 1.00 0.00 H new ATOM 0 HG2 MET A 49 -25.532 1.905 5.137 1.00 0.00 H new ATOM 0 HG3 MET A 49 -24.710 2.548 6.544 1.00 0.00 H new ATOM 0 HE1 MET A 49 -24.561 3.927 2.264 1.00 0.00 H new ATOM 0 HE2 MET A 49 -24.709 2.202 2.674 1.00 0.00 H new ATOM 0 HE3 MET A 49 -25.895 3.371 3.302 1.00 0.00 H new ATOM 815 N ALA A 50 -22.394 0.826 8.683 1.00 0.00 N ATOM 816 CA ALA A 50 -22.680 1.152 10.109 1.00 0.00 C ATOM 817 C ALA A 50 -21.390 1.537 10.838 1.00 0.00 C ATOM 818 O ALA A 50 -20.741 0.712 11.449 1.00 0.00 O ATOM 819 CB ALA A 50 -23.264 -0.132 10.701 1.00 0.00 C ATOM 0 H ALA A 50 -21.990 -0.097 8.521 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.363 1.996 10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -23.501 0.027 11.753 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -24.172 -0.402 10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -22.536 -0.938 10.612 1.00 0.00 H new ATOM 825 N LEU A 51 -21.012 2.784 10.777 1.00 0.00 N ATOM 826 CA LEU A 51 -19.765 3.219 11.468 1.00 0.00 C ATOM 827 C LEU A 51 -19.936 4.635 12.026 1.00 0.00 C ATOM 828 O LEU A 51 -19.287 5.565 11.593 1.00 0.00 O ATOM 829 CB LEU A 51 -18.684 3.195 10.388 1.00 0.00 C ATOM 830 CG LEU A 51 -19.203 3.893 9.131 1.00 0.00 C ATOM 831 CD1 LEU A 51 -18.210 4.974 8.702 1.00 0.00 C ATOM 832 CD2 LEU A 51 -19.358 2.868 8.006 1.00 0.00 C ATOM 0 H LEU A 51 -21.512 3.520 10.279 1.00 0.00 H new ATOM 0 HA LEU A 51 -19.513 2.574 12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -17.784 3.693 10.748 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -18.408 2.166 10.158 1.00 0.00 H new ATOM 0 HG LEU A 51 -20.170 4.350 9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -18.579 5.472 7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -18.099 5.704 9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -17.243 4.517 8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.728 3.365 7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -18.391 2.411 7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.065 2.097 8.311 1.00 0.00 H new ATOM 844 N GLN A 52 -20.807 4.804 12.983 1.00 0.00 N ATOM 845 CA GLN A 52 -21.018 6.160 13.566 1.00 0.00 C ATOM 846 C GLN A 52 -21.422 6.049 15.039 1.00 0.00 C ATOM 847 O GLN A 52 -22.023 5.048 15.394 1.00 0.00 O ATOM 848 CB GLN A 52 -22.153 6.772 12.744 1.00 0.00 C ATOM 849 CG GLN A 52 -22.114 8.295 12.874 1.00 0.00 C ATOM 850 CD GLN A 52 -22.950 8.726 14.080 1.00 0.00 C ATOM 851 OE1 GLN A 52 -22.413 9.066 15.116 1.00 0.00 O ATOM 852 NE2 GLN A 52 -24.252 8.724 13.992 1.00 0.00 N ATOM 853 OXT GLN A 52 -21.122 6.966 15.787 1.00 0.00 O ATOM 0 H GLN A 52 -21.381 4.063 13.386 1.00 0.00 H new ATOM 0 HA GLN A 52 -20.114 6.768 13.531 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -22.055 6.483 11.698 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -23.114 6.391 13.091 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -21.085 8.634 12.992 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -22.500 8.758 11.966 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -24.704 8.439 13.123 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -24.818 9.008 14.792 1.00 0.00 H new TER 862 GLN A 52 HETATM 863 ZN ZN A 53 -27.282 -5.687 -11.615 1.00 0.00 ZN HETATM 864 ZN ZN A 54 -27.155 3.477 -10.462 1.00 0.00 ZN