USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 764 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 67 THR OG1 : rot 84:sc= 0.0449 USER MOD Set 1.2: A 72 TYR OH : rot 150:sc= 0.0442 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 168:sc= 1 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= -3.86! C(o=-2.9!,f=-18!) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -0.723 USER MOD Set 3.2: A 62 THR OG1 : rot -101:sc= 0.784 USER MOD Set 4.1: A 14 THR OG1 : rot 82:sc= 1.52 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0.254 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc=-0.00796 F(o=-0.95,f=-0.008) USER MOD Single : A 16 HIS : no HE2:sc= -0.384 X(o=-0.38,f=-0.29) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -61:sc= 0.624 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= -0.95 (180deg=-0.985) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.3) USER MOD Single : A 54 SER OG : rot 86:sc= 1.15 USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0501 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0984) USER MOD Single : A 80 ASN : amide:sc= -14.4! C(o=-14!,f=-17!) USER MOD Single : A 86 SER OG : rot -85:sc= -0.43 USER MOD Single : A 89 SER OG : rot -140:sc= -1.06 USER MOD Single : A 92 SER OG : rot 59:sc= -1.41 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 73:sc= -2.64! USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.854 -3.089 -4.689 1.00 0.68 N ATOM 27 CA ILE A 2 -17.782 -2.374 -4.006 1.00 0.61 C ATOM 28 C ILE A 2 -16.550 -2.247 -4.896 1.00 0.57 C ATOM 29 O ILE A 2 -16.250 -3.138 -5.691 1.00 0.63 O ATOM 30 CB ILE A 2 -17.394 -3.077 -2.688 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.253 -2.322 -1.987 1.00 0.60 C ATOM 32 CG2 ILE A 2 -17.008 -4.528 -2.954 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.572 -3.106 -0.881 1.00 0.56 C ATOM 0 HA ILE A 2 -18.157 -1.376 -3.777 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.258 -3.071 -2.023 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.507 -2.043 -2.731 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.648 -1.396 -1.569 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.737 -5.010 -2.015 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.852 -5.053 -3.401 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.159 -4.559 -3.636 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.780 -2.500 -0.440 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.303 -3.362 -0.114 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.143 -4.019 -1.293 1.00 0.56 H new ATOM 45 N ASP A 3 -15.840 -1.131 -4.757 1.00 0.55 N ATOM 46 CA ASP A 3 -14.640 -0.881 -5.548 1.00 0.54 C ATOM 47 C ASP A 3 -13.476 -0.452 -4.654 1.00 0.47 C ATOM 48 O ASP A 3 -13.657 0.333 -3.722 1.00 0.49 O ATOM 49 CB ASP A 3 -14.915 0.196 -6.599 1.00 0.61 C ATOM 50 CG ASP A 3 -15.590 -0.363 -7.836 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.429 -1.277 -7.693 1.00 1.64 O ATOM 52 OD2 ASP A 3 -15.279 0.113 -8.948 1.00 2.00 O ATOM 0 H ASP A 3 -16.076 -0.385 -4.103 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.365 -1.809 -6.050 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.545 0.972 -6.164 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.976 0.670 -6.884 1.00 0.61 H new ATOM 57 N PRO A 4 -12.262 -0.963 -4.924 1.00 0.44 N ATOM 58 CA PRO A 4 -11.071 -0.633 -4.143 1.00 0.41 C ATOM 59 C PRO A 4 -10.407 0.664 -4.606 1.00 0.38 C ATOM 60 O PRO A 4 -10.656 1.139 -5.714 1.00 0.43 O ATOM 61 CB PRO A 4 -10.167 -1.835 -4.404 1.00 0.45 C ATOM 62 CG PRO A 4 -10.488 -2.229 -5.806 1.00 0.50 C ATOM 63 CD PRO A 4 -11.951 -1.910 -6.014 1.00 0.50 C ATOM 0 HA PRO A 4 -11.292 -0.461 -3.090 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.114 -1.574 -4.294 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.370 -2.646 -3.705 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.867 -1.682 -6.515 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.295 -3.290 -5.965 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.128 -1.465 -6.993 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.569 -2.806 -5.954 1.00 0.50 H new ATOM 71 N PRO A 5 -9.551 1.258 -3.755 1.00 0.37 N ATOM 72 CA PRO A 5 -8.849 2.511 -4.068 1.00 0.39 C ATOM 73 C PRO A 5 -8.028 2.430 -5.357 1.00 0.38 C ATOM 74 O PRO A 5 -8.077 1.433 -6.076 1.00 0.47 O ATOM 75 CB PRO A 5 -7.929 2.731 -2.858 1.00 0.46 C ATOM 76 CG PRO A 5 -7.890 1.423 -2.142 1.00 0.71 C ATOM 77 CD PRO A 5 -9.205 0.759 -2.417 1.00 0.43 C ATOM 0 HA PRO A 5 -9.553 3.326 -4.238 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.931 3.035 -3.174 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.313 3.520 -2.212 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.062 0.809 -2.497 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.743 1.569 -1.072 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.120 -0.328 -2.400 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.958 1.031 -1.677 1.00 0.43 H new ATOM 85 N GLY A 6 -7.279 3.496 -5.640 1.00 0.37 N ATOM 86 CA GLY A 6 -6.457 3.543 -6.840 1.00 0.39 C ATOM 87 C GLY A 6 -5.087 2.918 -6.641 1.00 0.42 C ATOM 88 O GLY A 6 -4.753 2.476 -5.542 1.00 0.66 O ATOM 0 H GLY A 6 -7.227 4.331 -5.057 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -6.973 3.026 -7.649 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.336 4.581 -7.151 1.00 0.39 H new ATOM 92 N LYS A 7 -4.290 2.887 -7.708 1.00 0.41 N ATOM 93 CA LYS A 7 -2.945 2.320 -7.648 1.00 0.44 C ATOM 94 C LYS A 7 -2.043 3.192 -6.774 1.00 0.37 C ATOM 95 O LYS A 7 -1.891 4.384 -7.039 1.00 0.42 O ATOM 96 CB LYS A 7 -2.360 2.208 -9.059 1.00 0.54 C ATOM 97 CG LYS A 7 -0.895 1.803 -9.082 1.00 0.64 C ATOM 98 CD LYS A 7 0.014 3.007 -9.270 1.00 1.01 C ATOM 99 CE LYS A 7 1.014 2.781 -10.392 1.00 0.95 C ATOM 100 NZ LYS A 7 0.750 3.670 -11.556 1.00 1.52 N ATOM 0 H LYS A 7 -4.553 3.248 -8.625 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.003 1.324 -7.208 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -2.939 1.479 -9.626 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.471 3.166 -9.566 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.642 1.297 -8.150 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.727 1.089 -9.888 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.589 3.888 -9.490 1.00 1.01 H new ATOM 0 HD3 LYS A 7 0.547 3.210 -8.341 1.00 1.01 H new ATOM 0 HE2 LYS A 7 2.023 2.959 -10.021 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.971 1.740 -10.713 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.453 3.486 -12.300 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 -0.204 3.483 -11.927 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.816 4.664 -11.256 1.00 1.52 H new ATOM 114 N PRO A 8 -1.434 2.623 -5.713 1.00 0.34 N ATOM 115 CA PRO A 8 -0.555 3.376 -4.804 1.00 0.32 C ATOM 116 C PRO A 8 0.738 3.826 -5.471 1.00 0.33 C ATOM 117 O PRO A 8 1.324 3.102 -6.276 1.00 0.44 O ATOM 118 CB PRO A 8 -0.271 2.373 -3.673 1.00 0.39 C ATOM 119 CG PRO A 8 -1.355 1.361 -3.811 1.00 0.44 C ATOM 120 CD PRO A 8 -1.540 1.219 -5.286 1.00 0.41 C ATOM 0 HA PRO A 8 -1.020 4.301 -4.463 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.715 1.920 -3.779 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.297 2.855 -2.696 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.075 0.413 -3.352 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.273 1.692 -3.325 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.774 0.590 -5.740 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.505 0.781 -5.541 1.00 0.41 H new ATOM 128 N VAL A 9 1.174 5.033 -5.127 1.00 0.34 N ATOM 129 CA VAL A 9 2.395 5.599 -5.683 1.00 0.38 C ATOM 130 C VAL A 9 3.203 6.315 -4.603 1.00 0.34 C ATOM 131 O VAL A 9 2.807 7.384 -4.132 1.00 0.35 O ATOM 132 CB VAL A 9 2.086 6.597 -6.815 1.00 0.43 C ATOM 133 CG1 VAL A 9 3.324 6.845 -7.662 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.936 6.094 -7.674 1.00 1.09 C ATOM 0 H VAL A 9 0.696 5.640 -4.462 1.00 0.34 H new ATOM 0 HA VAL A 9 2.976 4.770 -6.086 1.00 0.38 H new ATOM 0 HB VAL A 9 1.786 7.544 -6.366 1.00 0.43 H new ATOM 0 HG11 VAL A 9 3.086 7.552 -8.456 1.00 0.53 H new ATOM 0 HG12 VAL A 9 4.117 7.255 -7.036 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.658 5.905 -8.102 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.733 6.813 -8.468 1.00 1.09 H new ATOM 0 HG22 VAL A 9 1.204 5.133 -8.114 1.00 1.09 H new ATOM 0 HG23 VAL A 9 0.046 5.975 -7.057 1.00 1.09 H new ATOM 144 N PRO A 10 4.341 5.733 -4.182 1.00 0.34 N ATOM 145 CA PRO A 10 5.179 6.327 -3.150 1.00 0.32 C ATOM 146 C PRO A 10 5.521 7.790 -3.426 1.00 0.37 C ATOM 147 O PRO A 10 6.102 8.108 -4.463 1.00 0.64 O ATOM 148 CB PRO A 10 6.466 5.513 -3.175 1.00 0.38 C ATOM 149 CG PRO A 10 6.159 4.247 -3.901 1.00 0.39 C ATOM 150 CD PRO A 10 4.876 4.452 -4.668 1.00 0.42 C ATOM 0 HA PRO A 10 4.658 6.311 -2.193 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.262 6.063 -3.676 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.812 5.304 -2.163 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.972 3.989 -4.580 1.00 0.39 H new ATOM 0 HG3 PRO A 10 6.056 3.420 -3.199 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.059 4.483 -5.742 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.174 3.638 -4.488 1.00 0.42 H new ATOM 158 N LEU A 11 5.190 8.675 -2.491 1.00 0.34 N ATOM 159 CA LEU A 11 5.507 10.093 -2.649 1.00 0.43 C ATOM 160 C LEU A 11 6.937 10.337 -2.191 1.00 0.43 C ATOM 161 O LEU A 11 7.638 11.207 -2.708 1.00 0.57 O ATOM 162 CB LEU A 11 4.552 10.976 -1.841 1.00 0.56 C ATOM 163 CG LEU A 11 3.066 10.785 -2.139 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.827 10.636 -3.636 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.540 9.581 -1.385 1.00 1.12 C ATOM 0 H LEU A 11 4.707 8.440 -1.624 1.00 0.34 H new ATOM 0 HA LEU A 11 5.395 10.355 -3.701 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.719 10.786 -0.781 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.809 12.020 -2.022 1.00 0.56 H new ATOM 0 HG LEU A 11 2.525 11.670 -1.805 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.762 10.501 -3.823 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.175 11.531 -4.151 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.373 9.769 -4.007 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.480 9.451 -1.602 1.00 1.12 H new ATOM 0 HD22 LEU A 11 3.086 8.690 -1.695 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.675 9.735 -0.314 1.00 1.12 H new ATOM 177 N ASN A 12 7.353 9.543 -1.212 1.00 0.34 N ATOM 178 CA ASN A 12 8.693 9.626 -0.652 1.00 0.36 C ATOM 179 C ASN A 12 9.099 8.254 -0.139 1.00 0.37 C ATOM 180 O ASN A 12 8.252 7.484 0.301 1.00 0.58 O ATOM 181 CB ASN A 12 8.736 10.649 0.484 1.00 0.42 C ATOM 182 CG ASN A 12 10.122 11.225 0.697 1.00 0.58 C ATOM 183 OD1 ASN A 12 11.028 10.408 1.221 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.374 12.392 0.395 1.00 0.71 N flip ATOM 0 H ASN A 12 6.769 8.824 -0.785 1.00 0.34 H new ATOM 0 HA ASN A 12 9.389 9.950 -1.426 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.040 11.459 0.266 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.397 10.177 1.406 1.00 0.42 H new ATOM 0 HD21 ASN A 12 9.646 12.984 -0.005 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.311 12.767 0.545 1.00 0.71 H new ATOM 191 N ILE A 13 10.380 7.936 -0.201 1.00 0.38 N ATOM 192 CA ILE A 13 10.837 6.637 0.263 1.00 0.43 C ATOM 193 C ILE A 13 12.058 6.766 1.167 1.00 0.53 C ATOM 194 O ILE A 13 13.187 6.898 0.696 1.00 0.75 O ATOM 195 CB ILE A 13 11.139 5.695 -0.918 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.971 6.419 -1.992 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.831 5.157 -1.497 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.157 7.261 -2.959 1.00 0.96 C ATOM 0 H ILE A 13 11.112 8.548 -0.562 1.00 0.38 H new ATOM 0 HA ILE A 13 10.027 6.201 0.848 1.00 0.43 H new ATOM 0 HB ILE A 13 11.730 4.852 -0.560 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.700 7.060 -1.497 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.532 5.677 -2.560 1.00 0.49 H new ATOM 0 HG21 ILE A 13 10.049 4.491 -2.332 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.291 4.607 -0.726 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.219 5.988 -1.846 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.824 7.734 -3.680 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.446 6.625 -3.486 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.617 8.029 -2.406 1.00 0.96 H new ATOM 210 N THR A 14 11.812 6.729 2.478 1.00 0.59 N ATOM 211 CA THR A 14 12.876 6.846 3.472 1.00 0.71 C ATOM 212 C THR A 14 13.521 5.501 3.761 1.00 0.79 C ATOM 213 O THR A 14 13.668 5.115 4.917 1.00 1.46 O ATOM 214 CB THR A 14 12.330 7.460 4.764 1.00 0.75 C ATOM 215 OG1 THR A 14 10.919 7.566 4.711 1.00 0.69 O ATOM 216 CG2 THR A 14 12.884 8.839 5.048 1.00 0.94 C ATOM 0 H THR A 14 10.879 6.618 2.876 1.00 0.59 H new ATOM 0 HA THR A 14 13.644 7.502 3.061 1.00 0.71 H new ATOM 0 HB THR A 14 12.645 6.787 5.562 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.517 6.702 4.941 1.00 0.69 H new ATOM 0 HG21 THR A 14 12.458 9.218 5.977 1.00 0.94 H new ATOM 0 HG22 THR A 14 13.968 8.783 5.143 1.00 0.94 H new ATOM 0 HG23 THR A 14 12.625 9.511 4.229 1.00 0.94 H new ATOM 224 N ARG A 15 13.920 4.810 2.700 1.00 0.66 N ATOM 225 CA ARG A 15 14.578 3.511 2.809 1.00 0.67 C ATOM 226 C ARG A 15 13.783 2.516 3.662 1.00 0.71 C ATOM 227 O ARG A 15 13.154 1.598 3.139 1.00 1.19 O ATOM 228 CB ARG A 15 16.001 3.654 3.383 1.00 0.80 C ATOM 229 CG ARG A 15 16.503 5.086 3.543 1.00 0.96 C ATOM 230 CD ARG A 15 16.380 5.575 4.978 1.00 1.13 C ATOM 231 NE ARG A 15 17.560 6.320 5.408 1.00 1.43 N ATOM 232 CZ ARG A 15 18.770 5.783 5.518 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.959 4.503 5.231 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.792 6.527 5.915 1.00 1.90 N ATOM 0 H ARG A 15 13.797 5.133 1.740 1.00 0.66 H new ATOM 0 HA ARG A 15 14.632 3.115 1.795 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.032 3.165 4.357 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.692 3.116 2.734 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.545 5.142 3.229 1.00 0.96 H new ATOM 0 HG3 ARG A 15 15.936 5.745 2.885 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.498 6.209 5.070 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.230 4.722 5.640 1.00 1.13 H new ATOM 0 HE ARG A 15 17.449 7.308 5.637 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.174 3.928 4.925 1.00 2.42 H new ATOM 0 HH12 ARG A 15 19.889 4.093 5.316 1.00 2.42 H new ATOM 0 HH21 ARG A 15 19.650 7.512 6.136 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.721 6.114 5.999 1.00 1.90 H new ATOM 248 N HIS A 16 13.830 2.697 4.977 1.00 0.50 N ATOM 249 CA HIS A 16 13.132 1.808 5.907 1.00 0.54 C ATOM 250 C HIS A 16 11.624 2.030 5.899 1.00 0.57 C ATOM 251 O HIS A 16 10.856 1.128 6.238 1.00 0.97 O ATOM 252 CB HIS A 16 13.672 1.990 7.325 1.00 0.67 C ATOM 253 CG HIS A 16 15.007 1.350 7.540 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.285 0.478 8.569 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.159 1.469 6.831 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.567 0.104 8.458 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.141 0.678 7.418 1.00 0.86 N ATOM 0 H HIS A 16 14.345 3.453 5.427 1.00 0.50 H new ATOM 0 HA HIS A 16 13.318 0.788 5.571 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.749 3.055 7.542 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.958 1.571 8.034 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.631 0.171 9.289 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.292 2.081 5.951 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.065 -0.578 9.131 1.00 1.02 H new ATOM 265 N THR A 17 11.199 3.225 5.518 1.00 0.43 N ATOM 266 CA THR A 17 9.778 3.542 5.470 1.00 0.42 C ATOM 267 C THR A 17 9.457 4.324 4.209 1.00 0.38 C ATOM 268 O THR A 17 10.031 5.387 3.970 1.00 0.56 O ATOM 269 CB THR A 17 9.364 4.347 6.700 1.00 0.56 C ATOM 270 OG1 THR A 17 9.830 5.681 6.605 1.00 0.65 O ATOM 271 CG2 THR A 17 9.881 3.772 8.000 1.00 0.68 C ATOM 0 H THR A 17 11.814 3.989 5.238 1.00 0.43 H new ATOM 0 HA THR A 17 9.219 2.606 5.461 1.00 0.42 H new ATOM 0 HB THR A 17 8.275 4.307 6.715 1.00 0.56 H new ATOM 0 HG1 THR A 17 9.554 6.181 7.401 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.549 4.394 8.831 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.497 2.760 8.128 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.970 3.747 7.979 1.00 0.68 H new ATOM 279 N VAL A 18 8.551 3.800 3.395 1.00 0.27 N ATOM 280 CA VAL A 18 8.194 4.475 2.161 1.00 0.33 C ATOM 281 C VAL A 18 6.770 5.021 2.181 1.00 0.32 C ATOM 282 O VAL A 18 5.800 4.287 2.368 1.00 0.51 O ATOM 283 CB VAL A 18 8.394 3.568 0.933 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.802 2.996 0.914 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.346 2.483 0.857 1.00 0.80 C ATOM 0 H VAL A 18 8.058 2.923 3.565 1.00 0.27 H new ATOM 0 HA VAL A 18 8.874 5.323 2.081 1.00 0.33 H new ATOM 0 HB VAL A 18 8.269 4.182 0.041 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.924 2.358 0.039 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.525 3.811 0.873 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.968 2.409 1.817 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.524 1.866 -0.024 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.399 1.862 1.751 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.357 2.936 0.788 1.00 0.80 H new ATOM 295 N THR A 19 6.670 6.328 1.982 1.00 0.27 N ATOM 296 CA THR A 19 5.392 7.020 1.961 1.00 0.24 C ATOM 297 C THR A 19 4.756 6.916 0.581 1.00 0.22 C ATOM 298 O THR A 19 5.448 7.057 -0.425 1.00 0.34 O ATOM 299 CB THR A 19 5.588 8.489 2.325 1.00 0.28 C ATOM 300 OG1 THR A 19 5.874 8.635 3.705 1.00 0.35 O ATOM 301 CG2 THR A 19 4.377 9.339 2.006 1.00 0.32 C ATOM 0 H THR A 19 7.474 6.937 1.831 1.00 0.27 H new ATOM 0 HA THR A 19 4.732 6.552 2.691 1.00 0.24 H new ATOM 0 HB THR A 19 6.427 8.833 1.720 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.997 9.584 3.915 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.575 10.374 2.286 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.167 9.286 0.938 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.516 8.970 2.564 1.00 0.32 H new ATOM 309 N LEU A 20 3.441 6.682 0.548 1.00 0.28 N ATOM 310 CA LEU A 20 2.714 6.563 -0.714 1.00 0.26 C ATOM 311 C LEU A 20 1.281 7.079 -0.592 1.00 0.28 C ATOM 312 O LEU A 20 0.754 7.247 0.512 1.00 0.40 O ATOM 313 CB LEU A 20 2.678 5.111 -1.204 1.00 0.33 C ATOM 314 CG LEU A 20 3.508 4.105 -0.403 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.611 3.052 0.222 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.546 3.484 -1.301 1.00 0.50 C ATOM 0 H LEU A 20 2.861 6.572 1.380 1.00 0.28 H new ATOM 0 HA LEU A 20 3.252 7.176 -1.438 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.641 4.776 -1.205 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.020 5.090 -2.239 1.00 0.33 H new ATOM 0 HG LEU A 20 4.019 4.621 0.410 1.00 0.39 H new ATOM 0 HD11 LEU A 20 3.219 2.346 0.787 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.897 3.533 0.891 1.00 0.52 H new ATOM 0 HD13 LEU A 20 2.072 2.521 -0.563 1.00 0.52 H new ATOM 0 HD21 LEU A 20 5.138 2.767 -0.732 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.053 2.972 -2.127 1.00 0.50 H new ATOM 0 HD23 LEU A 20 5.199 4.263 -1.695 1.00 0.50 H new ATOM 328 N LYS A 21 0.653 7.318 -1.745 1.00 0.25 N ATOM 329 CA LYS A 21 -0.725 7.803 -1.791 1.00 0.31 C ATOM 330 C LYS A 21 -1.495 7.105 -2.903 1.00 0.31 C ATOM 331 O LYS A 21 -0.936 6.282 -3.628 1.00 0.51 O ATOM 332 CB LYS A 21 -0.762 9.316 -2.011 1.00 0.40 C ATOM 333 CG LYS A 21 -1.336 10.084 -0.833 1.00 0.81 C ATOM 334 CD LYS A 21 -2.779 9.691 -0.571 1.00 0.95 C ATOM 335 CE LYS A 21 -3.716 10.315 -1.594 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.433 11.500 -1.047 1.00 1.84 N ATOM 0 H LYS A 21 1.080 7.183 -2.661 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.194 7.577 -0.833 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.249 9.672 -2.209 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -1.355 9.532 -2.900 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.737 9.891 0.057 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.278 11.154 -1.031 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.874 8.606 -0.602 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.068 10.008 0.431 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -3.145 10.611 -2.474 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.443 9.571 -1.921 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.899 12.012 -1.823 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -5.148 11.186 -0.360 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.753 12.130 -0.576 1.00 1.84 H new ATOM 350 N TRP A 22 -2.777 7.436 -3.046 1.00 0.25 N ATOM 351 CA TRP A 22 -3.594 6.827 -4.085 1.00 0.24 C ATOM 352 C TRP A 22 -4.967 7.472 -4.200 1.00 0.24 C ATOM 353 O TRP A 22 -5.393 8.232 -3.331 1.00 0.40 O ATOM 354 CB TRP A 22 -3.750 5.332 -3.833 1.00 0.27 C ATOM 355 CG TRP A 22 -4.322 4.978 -2.492 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.642 4.856 -2.168 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.587 4.683 -1.297 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.772 4.506 -0.843 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.525 4.396 -0.289 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.227 4.638 -0.984 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.146 4.065 1.012 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.851 4.310 0.305 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.807 4.027 1.290 1.00 0.32 C ATOM 0 H TRP A 22 -3.265 8.115 -2.461 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.073 6.990 -5.029 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.391 4.912 -4.608 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.774 4.857 -3.933 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.464 5.011 -2.851 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.654 4.353 -0.354 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.482 4.856 -1.735 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.882 3.847 1.772 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.802 4.271 0.558 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.480 3.774 2.288 1.00 0.32 H new ATOM 374 N ALA A 23 -5.655 7.148 -5.291 1.00 0.31 N ATOM 375 CA ALA A 23 -6.986 7.671 -5.552 1.00 0.33 C ATOM 376 C ALA A 23 -8.033 6.887 -4.774 1.00 0.36 C ATOM 377 O ALA A 23 -7.867 5.693 -4.526 1.00 0.83 O ATOM 378 CB ALA A 23 -7.288 7.613 -7.042 1.00 0.36 C ATOM 0 H ALA A 23 -5.305 6.519 -6.014 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.019 8.710 -5.224 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.287 8.007 -7.226 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.556 8.211 -7.585 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.237 6.579 -7.384 1.00 0.36 H new ATOM 384 N LYS A 24 -9.112 7.558 -4.392 1.00 0.59 N ATOM 385 CA LYS A 24 -10.179 6.908 -3.646 1.00 0.61 C ATOM 386 C LYS A 24 -11.207 6.292 -4.593 1.00 0.59 C ATOM 387 O LYS A 24 -11.428 6.799 -5.693 1.00 0.69 O ATOM 388 CB LYS A 24 -10.854 7.906 -2.691 1.00 0.74 C ATOM 389 CG LYS A 24 -11.898 8.797 -3.350 1.00 1.21 C ATOM 390 CD LYS A 24 -13.285 8.175 -3.274 1.00 1.22 C ATOM 391 CE LYS A 24 -13.974 8.499 -1.959 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.058 9.505 -2.129 1.00 2.11 N ATOM 0 H LYS A 24 -9.270 8.547 -4.586 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.740 6.105 -3.053 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.326 7.352 -1.880 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.087 8.537 -2.242 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.907 9.772 -2.862 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.629 8.965 -4.393 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.893 8.538 -4.103 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.206 7.094 -3.387 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.391 7.586 -1.534 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.239 8.875 -1.248 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.501 9.697 -1.208 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.658 10.386 -2.511 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.774 9.136 -2.787 1.00 2.11 H new ATOM 406 N PRO A 25 -11.846 5.187 -4.174 1.00 0.56 N ATOM 407 CA PRO A 25 -12.857 4.494 -4.980 1.00 0.63 C ATOM 408 C PRO A 25 -13.854 5.449 -5.633 1.00 0.75 C ATOM 409 O PRO A 25 -13.811 6.658 -5.412 1.00 0.89 O ATOM 410 CB PRO A 25 -13.563 3.625 -3.950 1.00 0.63 C ATOM 411 CG PRO A 25 -12.509 3.301 -2.951 1.00 0.71 C ATOM 412 CD PRO A 25 -11.630 4.520 -2.873 1.00 0.58 C ATOM 0 HA PRO A 25 -12.412 3.946 -5.811 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.397 4.154 -3.489 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.970 2.722 -4.405 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -12.948 3.072 -1.980 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.937 2.425 -3.256 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.911 5.165 -2.040 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.584 4.251 -2.729 1.00 0.58 H new ATOM 420 N GLU A 26 -14.757 4.897 -6.439 1.00 0.85 N ATOM 421 CA GLU A 26 -15.761 5.704 -7.121 1.00 1.05 C ATOM 422 C GLU A 26 -17.180 5.280 -6.751 1.00 0.95 C ATOM 423 O GLU A 26 -18.096 6.103 -6.745 1.00 1.12 O ATOM 424 CB GLU A 26 -15.568 5.608 -8.635 1.00 1.29 C ATOM 425 CG GLU A 26 -15.403 4.184 -9.138 1.00 1.83 C ATOM 426 CD GLU A 26 -16.253 3.893 -10.358 1.00 2.18 C ATOM 427 OE1 GLU A 26 -17.461 4.208 -10.328 1.00 2.53 O ATOM 428 OE2 GLU A 26 -15.712 3.350 -11.343 1.00 2.77 O ATOM 0 H GLU A 26 -14.813 3.897 -6.635 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.629 6.737 -6.798 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.425 6.063 -9.132 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -14.690 6.189 -8.919 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.355 4.008 -9.380 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -15.668 3.489 -8.341 1.00 1.83 H new ATOM 435 N TYR A 27 -17.368 3.995 -6.450 1.00 0.85 N ATOM 436 CA TYR A 27 -18.693 3.494 -6.092 1.00 0.84 C ATOM 437 C TYR A 27 -18.758 3.024 -4.639 1.00 0.86 C ATOM 438 O TYR A 27 -19.387 3.671 -3.800 1.00 1.37 O ATOM 439 CB TYR A 27 -19.108 2.356 -7.028 1.00 0.86 C ATOM 440 CG TYR A 27 -20.606 2.220 -7.172 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.348 3.190 -7.834 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.280 1.126 -6.642 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.719 3.073 -7.964 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.650 1.003 -6.768 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.365 1.980 -7.431 1.00 1.19 C ATOM 446 OH TYR A 27 -24.730 1.861 -7.559 1.00 1.35 O ATOM 0 H TYR A 27 -16.630 3.291 -6.447 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.389 4.325 -6.203 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.669 2.524 -8.011 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.699 1.418 -6.653 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.846 4.049 -8.254 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.723 0.360 -6.123 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.281 3.836 -8.482 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.159 0.147 -6.350 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.028 1.032 -7.129 1.00 1.35 H new ATOM 456 N THR A 28 -18.120 1.894 -4.346 1.00 0.65 N ATOM 457 CA THR A 28 -18.123 1.342 -2.993 1.00 0.61 C ATOM 458 C THR A 28 -19.547 1.168 -2.483 1.00 0.66 C ATOM 459 O THR A 28 -19.826 1.383 -1.304 1.00 0.81 O ATOM 460 CB THR A 28 -17.348 2.244 -2.039 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.113 3.384 -1.693 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.040 2.726 -2.614 1.00 0.79 C ATOM 0 H THR A 28 -17.595 1.343 -5.025 1.00 0.65 H new ATOM 0 HA THR A 28 -17.638 0.367 -3.033 1.00 0.61 H new ATOM 0 HB THR A 28 -17.140 1.631 -1.162 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.314 3.901 -2.501 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.536 3.363 -1.887 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.407 1.870 -2.846 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.230 3.294 -3.525 1.00 0.79 H new ATOM 470 N GLY A 29 -20.444 0.779 -3.378 1.00 0.75 N ATOM 471 CA GLY A 29 -21.828 0.583 -2.999 1.00 0.80 C ATOM 472 C GLY A 29 -22.391 1.774 -2.244 1.00 0.85 C ATOM 473 O GLY A 29 -22.885 2.726 -2.849 1.00 1.01 O ATOM 0 H GLY A 29 -20.238 0.596 -4.360 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.426 0.406 -3.893 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.910 -0.310 -2.379 1.00 0.80 H new ATOM 477 N GLY A 30 -22.307 1.723 -0.920 1.00 0.83 N ATOM 478 CA GLY A 30 -22.803 2.810 -0.093 1.00 0.89 C ATOM 479 C GLY A 30 -21.976 2.970 1.167 1.00 0.85 C ATOM 480 O GLY A 30 -22.471 3.429 2.198 1.00 0.98 O ATOM 0 H GLY A 30 -21.902 0.944 -0.401 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.785 3.739 -0.662 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.843 2.620 0.174 1.00 0.89 H new ATOM 484 N PHE A 31 -20.713 2.571 1.076 1.00 0.73 N ATOM 485 CA PHE A 31 -19.784 2.638 2.199 1.00 0.69 C ATOM 486 C PHE A 31 -18.828 3.822 2.067 1.00 0.67 C ATOM 487 O PHE A 31 -18.924 4.611 1.127 1.00 0.74 O ATOM 488 CB PHE A 31 -18.970 1.346 2.268 1.00 0.63 C ATOM 489 CG PHE A 31 -19.675 0.137 1.704 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.784 -0.399 2.342 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.224 -0.465 0.542 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.427 -1.511 1.830 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.862 -1.576 0.026 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.985 -2.082 0.658 1.00 0.83 C ATOM 0 H PHE A 31 -20.303 2.192 0.222 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.369 2.768 3.109 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.034 1.491 1.728 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.711 1.149 3.308 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.150 0.058 3.250 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.362 -0.061 0.032 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.276 -1.931 2.349 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.486 -2.049 -0.869 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.513 -2.923 0.233 1.00 0.83 H new ATOM 504 N LYS A 32 -17.900 3.936 3.020 1.00 0.68 N ATOM 505 CA LYS A 32 -16.920 5.022 3.011 1.00 0.72 C ATOM 506 C LYS A 32 -15.515 4.546 3.403 1.00 0.66 C ATOM 507 O LYS A 32 -14.592 5.357 3.497 1.00 0.74 O ATOM 508 CB LYS A 32 -17.359 6.139 3.960 1.00 0.86 C ATOM 509 CG LYS A 32 -17.471 5.698 5.411 1.00 1.38 C ATOM 510 CD LYS A 32 -17.389 6.883 6.364 1.00 1.38 C ATOM 511 CE LYS A 32 -16.123 6.836 7.205 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.529 8.189 7.395 1.00 2.26 N ATOM 0 H LYS A 32 -17.807 3.291 3.805 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.872 5.396 1.988 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.647 6.962 3.893 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.324 6.525 3.631 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.415 5.174 5.561 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.674 4.990 5.640 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.414 7.812 5.794 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -18.261 6.886 7.018 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.350 6.400 8.178 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.393 6.184 6.726 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -14.668 8.112 7.974 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.288 8.596 6.469 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.215 8.805 7.876 1.00 2.26 H new ATOM 526 N ILE A 33 -15.350 3.244 3.633 1.00 0.67 N ATOM 527 CA ILE A 33 -14.050 2.692 4.015 1.00 0.66 C ATOM 528 C ILE A 33 -13.552 3.294 5.324 1.00 0.80 C ATOM 529 O ILE A 33 -13.652 4.501 5.548 1.00 1.71 O ATOM 530 CB ILE A 33 -12.991 2.912 2.912 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.423 2.217 1.624 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.627 2.397 3.358 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.677 3.169 0.480 1.00 0.91 C ATOM 0 H ILE A 33 -16.097 2.553 3.562 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.195 1.620 4.151 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.906 3.983 2.726 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -12.652 1.505 1.329 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.330 1.644 1.817 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.898 2.563 2.565 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.313 2.929 4.256 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.693 1.330 3.572 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.980 2.605 -0.402 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.469 3.866 0.755 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.765 3.725 0.260 1.00 0.91 H new ATOM 545 N THR A 34 -13.015 2.440 6.188 1.00 0.72 N ATOM 546 CA THR A 34 -12.501 2.885 7.477 1.00 0.73 C ATOM 547 C THR A 34 -11.040 2.473 7.679 1.00 0.59 C ATOM 548 O THR A 34 -10.503 2.613 8.776 1.00 0.76 O ATOM 549 CB THR A 34 -13.362 2.321 8.609 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.105 0.941 8.794 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.848 2.484 8.370 1.00 1.15 C ATOM 0 H THR A 34 -12.925 1.438 6.019 1.00 0.72 H new ATOM 0 HA THR A 34 -12.546 3.974 7.492 1.00 0.73 H new ATOM 0 HB THR A 34 -13.088 2.896 9.494 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.664 0.599 9.523 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.400 2.063 9.210 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.087 3.543 8.273 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.129 1.963 7.454 1.00 1.15 H new ATOM 559 N SER A 35 -10.397 1.969 6.624 1.00 0.49 N ATOM 560 CA SER A 35 -9.000 1.550 6.722 1.00 0.47 C ATOM 561 C SER A 35 -8.473 1.024 5.391 1.00 0.45 C ATOM 562 O SER A 35 -9.161 0.288 4.688 1.00 0.72 O ATOM 563 CB SER A 35 -8.845 0.467 7.786 1.00 0.64 C ATOM 564 OG SER A 35 -7.509 0.399 8.254 1.00 1.58 O ATOM 0 H SER A 35 -10.816 1.842 5.703 1.00 0.49 H new ATOM 0 HA SER A 35 -8.418 2.429 7.000 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.516 0.674 8.620 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.138 -0.498 7.373 1.00 0.64 H new ATOM 0 HG SER A 35 -7.436 -0.301 8.936 1.00 1.58 H new ATOM 570 N TYR A 36 -7.241 1.403 5.061 1.00 0.27 N ATOM 571 CA TYR A 36 -6.606 0.968 3.824 1.00 0.28 C ATOM 572 C TYR A 36 -5.405 0.075 4.125 1.00 0.33 C ATOM 573 O TYR A 36 -4.345 0.558 4.520 1.00 0.68 O ATOM 574 CB TYR A 36 -6.160 2.179 3.004 1.00 0.29 C ATOM 575 CG TYR A 36 -7.300 2.911 2.337 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.164 2.251 1.473 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.512 4.263 2.572 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.208 2.918 0.861 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.555 4.937 1.965 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.398 4.259 1.105 1.00 0.60 C ATOM 581 OH TYR A 36 -10.438 4.930 0.503 1.00 0.76 O ATOM 0 H TYR A 36 -6.662 2.013 5.637 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.333 0.396 3.247 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.626 2.871 3.655 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.454 1.851 2.241 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.018 1.199 1.276 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.852 4.796 3.240 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.872 2.389 0.194 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.710 5.988 2.162 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.428 5.869 0.785 1.00 0.76 H new ATOM 591 N ILE A 37 -5.578 -1.227 3.935 1.00 0.24 N ATOM 592 CA ILE A 37 -4.508 -2.187 4.188 1.00 0.26 C ATOM 593 C ILE A 37 -3.521 -2.221 3.024 1.00 0.33 C ATOM 594 O ILE A 37 -3.920 -2.371 1.873 1.00 0.70 O ATOM 595 CB ILE A 37 -5.066 -3.607 4.416 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.388 -3.556 5.187 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.053 -4.453 5.164 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.309 -2.763 6.472 1.00 1.14 C ATOM 0 H ILE A 37 -6.449 -1.644 3.606 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.994 -1.860 5.092 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.256 -4.061 3.443 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -7.155 -3.120 4.547 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.705 -4.573 5.417 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.458 -5.453 5.319 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.134 -4.520 4.582 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.838 -3.995 6.129 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.281 -2.770 6.964 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -5.565 -3.211 7.131 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.023 -1.735 6.248 1.00 1.14 H new ATOM 610 N VAL A 38 -2.234 -2.078 3.328 1.00 0.36 N ATOM 611 CA VAL A 38 -1.207 -2.092 2.290 1.00 0.42 C ATOM 612 C VAL A 38 -0.401 -3.382 2.309 1.00 0.35 C ATOM 613 O VAL A 38 0.381 -3.621 3.229 1.00 0.48 O ATOM 614 CB VAL A 38 -0.223 -0.916 2.444 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.694 -0.821 1.231 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.970 0.387 2.661 1.00 0.46 C ATOM 0 H VAL A 38 -1.879 -1.952 4.276 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.741 -2.005 1.344 1.00 0.42 H new ATOM 0 HB VAL A 38 0.394 -1.100 3.323 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.381 0.015 1.359 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.262 -1.746 1.131 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.095 -0.665 0.334 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.255 1.203 2.767 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.618 0.581 1.807 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.574 0.314 3.565 1.00 0.46 H new ATOM 626 N GLU A 39 -0.575 -4.205 1.281 1.00 0.30 N ATOM 627 CA GLU A 39 0.168 -5.451 1.190 1.00 0.33 C ATOM 628 C GLU A 39 1.502 -5.179 0.510 1.00 0.32 C ATOM 629 O GLU A 39 1.560 -4.445 -0.477 1.00 0.43 O ATOM 630 CB GLU A 39 -0.628 -6.505 0.423 1.00 0.42 C ATOM 631 CG GLU A 39 -2.120 -6.453 0.701 1.00 0.51 C ATOM 632 CD GLU A 39 -2.708 -7.826 0.956 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.375 -8.764 0.201 1.00 1.52 O ATOM 634 OE2 GLU A 39 -3.504 -7.963 1.909 1.00 1.67 O ATOM 0 H GLU A 39 -1.218 -4.033 0.508 1.00 0.30 H new ATOM 0 HA GLU A 39 0.344 -5.842 2.192 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.460 -6.370 -0.646 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -0.252 -7.494 0.683 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.304 -5.816 1.566 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.629 -5.994 -0.147 1.00 0.51 H new ATOM 641 N LYS A 40 2.576 -5.748 1.040 1.00 0.28 N ATOM 642 CA LYS A 40 3.897 -5.524 0.466 1.00 0.31 C ATOM 643 C LYS A 40 4.606 -6.825 0.127 1.00 0.29 C ATOM 644 O LYS A 40 4.492 -7.821 0.841 1.00 0.35 O ATOM 645 CB LYS A 40 4.766 -4.692 1.416 1.00 0.43 C ATOM 646 CG LYS A 40 4.482 -4.934 2.889 1.00 0.92 C ATOM 647 CD LYS A 40 5.730 -4.728 3.730 1.00 1.14 C ATOM 648 CE LYS A 40 6.013 -5.933 4.611 1.00 1.65 C ATOM 649 NZ LYS A 40 6.901 -6.915 3.933 1.00 1.97 N ATOM 0 H LYS A 40 2.561 -6.360 1.856 1.00 0.28 H new ATOM 0 HA LYS A 40 3.748 -4.975 -0.464 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.815 -4.912 1.218 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.616 -3.635 1.197 1.00 0.43 H new ATOM 0 HG2 LYS A 40 3.697 -4.257 3.227 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.110 -5.949 3.028 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.584 -4.545 3.077 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.608 -3.841 4.352 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.478 -5.603 5.540 1.00 1.65 H new ATOM 0 HE3 LYS A 40 5.074 -6.416 4.879 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.126 -7.690 4.589 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 6.418 -7.299 3.096 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.780 -6.443 3.640 1.00 1.97 H new ATOM 663 N ARG A 41 5.347 -6.793 -0.971 1.00 0.36 N ATOM 664 CA ARG A 41 6.100 -7.947 -1.430 1.00 0.40 C ATOM 665 C ARG A 41 7.591 -7.693 -1.262 1.00 0.41 C ATOM 666 O ARG A 41 8.182 -6.887 -1.992 1.00 0.43 O ATOM 667 CB ARG A 41 5.775 -8.245 -2.898 1.00 0.46 C ATOM 668 CG ARG A 41 6.705 -9.265 -3.542 1.00 0.58 C ATOM 669 CD ARG A 41 5.999 -10.060 -4.627 1.00 0.88 C ATOM 670 NE ARG A 41 5.765 -9.262 -5.825 1.00 0.95 N ATOM 671 CZ ARG A 41 5.020 -9.669 -6.846 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.443 -10.862 -6.814 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.852 -8.883 -7.899 1.00 1.44 N ATOM 0 H ARG A 41 5.442 -5.969 -1.565 1.00 0.36 H new ATOM 0 HA ARG A 41 5.819 -8.813 -0.830 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.750 -8.609 -2.966 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.822 -7.316 -3.466 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.568 -8.753 -3.968 1.00 0.58 H new ATOM 0 HG3 ARG A 41 7.083 -9.946 -2.779 1.00 0.58 H new ATOM 0 HD2 ARG A 41 6.598 -10.933 -4.885 1.00 0.88 H new ATOM 0 HD3 ARG A 41 5.047 -10.428 -4.245 1.00 0.88 H new ATOM 0 HE ARG A 41 6.198 -8.340 -5.882 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.571 -11.469 -6.004 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.871 -11.173 -7.599 1.00 1.44 H new ATOM 0 HH21 ARG A 41 5.295 -7.965 -7.926 1.00 1.44 H new ATOM 0 HH22 ARG A 41 4.280 -9.196 -8.683 1.00 1.44 H new ATOM 687 N ASP A 42 8.189 -8.385 -0.295 1.00 0.50 N ATOM 688 CA ASP A 42 9.613 -8.250 -0.019 1.00 0.57 C ATOM 689 C ASP A 42 10.414 -9.008 -1.062 1.00 0.62 C ATOM 690 O ASP A 42 10.665 -10.203 -0.921 1.00 0.91 O ATOM 691 CB ASP A 42 9.942 -8.783 1.374 1.00 0.71 C ATOM 692 CG ASP A 42 8.731 -9.378 2.066 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.633 -9.351 1.470 1.00 1.49 O ATOM 694 OD2 ASP A 42 8.880 -9.870 3.204 1.00 1.59 O ATOM 0 H ASP A 42 7.705 -9.047 0.312 1.00 0.50 H new ATOM 0 HA ASP A 42 9.876 -7.193 -0.059 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.721 -9.541 1.295 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.345 -7.974 1.984 1.00 0.71 H new ATOM 699 N LEU A 43 10.805 -8.308 -2.111 1.00 0.63 N ATOM 700 CA LEU A 43 11.569 -8.922 -3.188 1.00 0.68 C ATOM 701 C LEU A 43 12.969 -9.313 -2.718 1.00 0.81 C ATOM 702 O LEU A 43 13.585 -8.599 -1.925 1.00 0.90 O ATOM 703 CB LEU A 43 11.657 -7.973 -4.381 1.00 0.62 C ATOM 704 CG LEU A 43 10.352 -7.250 -4.730 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.639 -5.824 -5.166 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.596 -7.999 -5.814 1.00 0.70 C ATOM 0 H LEU A 43 10.608 -7.316 -2.243 1.00 0.63 H new ATOM 0 HA LEU A 43 11.050 -9.830 -3.495 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.425 -7.227 -4.177 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.986 -8.539 -5.253 1.00 0.62 H new ATOM 0 HG LEU A 43 9.726 -7.220 -3.838 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.702 -5.323 -5.411 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.136 -5.289 -4.357 1.00 0.80 H new ATOM 0 HD13 LEU A 43 11.285 -5.835 -6.044 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.673 -7.468 -6.047 1.00 0.70 H new ATOM 0 HD22 LEU A 43 10.213 -8.063 -6.710 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.359 -9.004 -5.464 1.00 0.70 H new ATOM 718 N PRO A 44 13.497 -10.458 -3.197 1.00 0.92 N ATOM 719 CA PRO A 44 12.814 -11.343 -4.137 1.00 0.99 C ATOM 720 C PRO A 44 12.057 -12.474 -3.442 1.00 1.15 C ATOM 721 O PRO A 44 11.691 -13.465 -4.074 1.00 1.43 O ATOM 722 CB PRO A 44 13.984 -11.901 -4.938 1.00 1.15 C ATOM 723 CG PRO A 44 15.110 -11.987 -3.955 1.00 1.25 C ATOM 724 CD PRO A 44 14.826 -10.985 -2.855 1.00 1.08 C ATOM 0 HA PRO A 44 12.054 -10.829 -4.725 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.747 -12.880 -5.356 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.237 -11.250 -5.775 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.187 -12.995 -3.546 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.061 -11.766 -4.440 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.829 -11.458 -1.873 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.576 -10.194 -2.830 1.00 1.08 H new ATOM 732 N ASN A 45 11.832 -12.327 -2.138 1.00 1.14 N ATOM 733 CA ASN A 45 11.126 -13.346 -1.367 1.00 1.33 C ATOM 734 C ASN A 45 9.956 -12.751 -0.585 1.00 1.43 C ATOM 735 O ASN A 45 9.981 -12.706 0.644 1.00 2.42 O ATOM 736 CB ASN A 45 12.094 -14.032 -0.403 1.00 1.66 C ATOM 737 CG ASN A 45 12.871 -15.154 -1.064 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.384 -16.279 -1.177 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.086 -14.852 -1.508 1.00 1.89 N ATOM 0 H ASN A 45 12.127 -11.515 -1.596 1.00 1.14 H new ATOM 0 HA ASN A 45 10.725 -14.076 -2.069 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.792 -13.294 -0.007 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.537 -14.430 0.445 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.655 -15.566 -1.964 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.450 -13.906 -1.393 1.00 1.89 H new ATOM 746 N GLY A 46 8.933 -12.299 -1.304 1.00 0.90 N ATOM 747 CA GLY A 46 7.773 -11.716 -0.653 1.00 1.12 C ATOM 748 C GLY A 46 6.536 -12.586 -0.773 1.00 0.76 C ATOM 749 O GLY A 46 6.563 -13.631 -1.423 1.00 0.96 O ATOM 0 H GLY A 46 8.886 -12.326 -2.323 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.997 -11.553 0.401 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.569 -10.739 -1.090 1.00 1.12 H new ATOM 753 N ARG A 47 5.450 -12.152 -0.140 1.00 0.80 N ATOM 754 CA ARG A 47 4.190 -12.896 -0.170 1.00 0.76 C ATOM 755 C ARG A 47 2.990 -11.960 -0.019 1.00 0.85 C ATOM 756 O ARG A 47 1.894 -12.395 0.338 1.00 1.71 O ATOM 757 CB ARG A 47 4.160 -13.957 0.938 1.00 0.99 C ATOM 758 CG ARG A 47 5.105 -13.671 2.096 1.00 1.31 C ATOM 759 CD ARG A 47 4.775 -12.350 2.773 1.00 1.11 C ATOM 760 NE ARG A 47 5.977 -11.596 3.122 1.00 1.41 N ATOM 761 CZ ARG A 47 6.898 -12.028 3.979 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.752 -13.206 4.572 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.963 -11.285 4.245 1.00 2.03 N ATOM 0 H ARG A 47 5.415 -11.288 0.401 1.00 0.80 H new ATOM 0 HA ARG A 47 4.125 -13.390 -1.139 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.143 -14.036 1.323 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.414 -14.925 0.506 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.044 -14.479 2.825 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.132 -13.647 1.731 1.00 1.31 H new ATOM 0 HD2 ARG A 47 4.151 -11.750 2.111 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.193 -12.541 3.674 1.00 1.11 H new ATOM 0 HE ARG A 47 6.118 -10.686 2.683 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.933 -13.780 4.371 1.00 2.41 H new ATOM 0 HH12 ARG A 47 7.458 -13.537 5.229 1.00 2.41 H new ATOM 0 HH21 ARG A 47 8.078 -10.378 3.792 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.667 -11.620 4.903 1.00 2.03 H new ATOM 777 N TRP A 48 3.200 -10.676 -0.293 1.00 0.50 N ATOM 778 CA TRP A 48 2.140 -9.683 -0.188 1.00 0.43 C ATOM 779 C TRP A 48 1.420 -9.787 1.155 1.00 0.45 C ATOM 780 O TRP A 48 0.525 -10.615 1.323 1.00 0.65 O ATOM 781 CB TRP A 48 1.123 -9.858 -1.313 1.00 0.47 C ATOM 782 CG TRP A 48 1.675 -9.632 -2.687 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.791 -10.561 -3.678 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.176 -8.402 -3.231 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.334 -9.989 -4.801 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.579 -8.668 -4.554 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.324 -7.105 -2.733 1.00 0.36 C ATOM 788 CZ2 TRP A 48 3.119 -7.688 -5.380 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.861 -6.134 -3.558 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.252 -6.430 -4.867 1.00 0.38 C ATOM 0 H TRP A 48 4.100 -10.299 -0.591 1.00 0.50 H new ATOM 0 HA TRP A 48 2.605 -8.701 -0.268 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.712 -10.866 -1.261 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.296 -9.168 -1.149 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.498 -11.597 -3.592 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.524 -10.472 -5.679 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.025 -6.866 -1.723 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.422 -7.914 -6.392 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.981 -5.128 -3.184 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.668 -5.648 -5.485 1.00 0.38 H new ATOM 801 N LEU A 49 1.801 -8.937 2.103 1.00 0.38 N ATOM 802 CA LEU A 49 1.170 -8.935 3.419 1.00 0.42 C ATOM 803 C LEU A 49 1.042 -7.515 3.957 1.00 0.36 C ATOM 804 O LEU A 49 1.790 -6.621 3.566 1.00 0.39 O ATOM 805 CB LEU A 49 1.930 -9.819 4.418 1.00 0.52 C ATOM 806 CG LEU A 49 3.248 -9.239 4.913 1.00 0.67 C ATOM 807 CD1 LEU A 49 4.058 -10.285 5.663 1.00 1.28 C ATOM 808 CD2 LEU A 49 4.019 -8.703 3.733 1.00 0.84 C ATOM 0 H LEU A 49 2.540 -8.244 1.986 1.00 0.38 H new ATOM 0 HA LEU A 49 0.171 -9.355 3.298 1.00 0.42 H new ATOM 0 HB2 LEU A 49 1.287 -10.007 5.278 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.127 -10.784 3.951 1.00 0.52 H new ATOM 0 HG LEU A 49 3.045 -8.428 5.612 1.00 0.67 H new ATOM 0 HD11 LEU A 49 4.994 -9.844 6.005 1.00 1.28 H new ATOM 0 HD12 LEU A 49 3.488 -10.639 6.522 1.00 1.28 H new ATOM 0 HD13 LEU A 49 4.273 -11.123 5.000 1.00 1.28 H new ATOM 0 HD21 LEU A 49 4.965 -8.285 4.076 1.00 0.84 H new ATOM 0 HD22 LEU A 49 4.214 -9.511 3.028 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.436 -7.925 3.241 1.00 0.84 H new ATOM 820 N LYS A 50 0.081 -7.309 4.847 1.00 0.40 N ATOM 821 CA LYS A 50 -0.147 -5.993 5.423 1.00 0.40 C ATOM 822 C LYS A 50 0.961 -5.609 6.402 1.00 0.47 C ATOM 823 O LYS A 50 1.152 -6.256 7.431 1.00 0.85 O ATOM 824 CB LYS A 50 -1.515 -5.937 6.111 1.00 0.59 C ATOM 825 CG LYS A 50 -1.718 -6.995 7.187 1.00 0.72 C ATOM 826 CD LYS A 50 -2.650 -6.504 8.283 1.00 1.03 C ATOM 827 CE LYS A 50 -4.111 -6.663 7.889 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.900 -7.352 8.947 1.00 1.30 N ATOM 0 H LYS A 50 -0.551 -8.035 5.184 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.134 -5.269 4.608 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.644 -4.951 6.558 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.293 -6.049 5.356 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.128 -7.899 6.737 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.755 -7.264 7.621 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.458 -7.060 9.201 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.442 -5.455 8.496 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -4.543 -5.681 7.695 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.177 -7.230 6.960 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.890 -7.441 8.640 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.503 -8.299 9.115 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.859 -6.799 9.827 1.00 1.30 H new ATOM 842 N ALA A 51 1.687 -4.548 6.070 1.00 0.45 N ATOM 843 CA ALA A 51 2.773 -4.069 6.914 1.00 0.63 C ATOM 844 C ALA A 51 2.275 -2.994 7.869 1.00 0.55 C ATOM 845 O ALA A 51 2.667 -2.953 9.035 1.00 0.72 O ATOM 846 CB ALA A 51 3.908 -3.530 6.060 1.00 0.86 C ATOM 0 H ALA A 51 1.542 -4.003 5.220 1.00 0.45 H new ATOM 0 HA ALA A 51 3.146 -4.907 7.502 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.712 -3.176 6.705 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.284 -4.322 5.413 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.543 -2.705 5.449 1.00 0.86 H new ATOM 852 N ASN A 52 1.406 -2.124 7.365 1.00 0.42 N ATOM 853 CA ASN A 52 0.850 -1.046 8.172 1.00 0.43 C ATOM 854 C ASN A 52 0.306 -1.577 9.497 1.00 0.59 C ATOM 855 O ASN A 52 0.603 -1.034 10.561 1.00 1.60 O ATOM 856 CB ASN A 52 -0.257 -0.320 7.402 1.00 0.38 C ATOM 857 CG ASN A 52 -1.471 -1.198 7.161 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.388 -2.217 6.476 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.607 -0.806 7.726 1.00 0.62 N ATOM 0 H ASN A 52 1.072 -2.145 6.401 1.00 0.42 H new ATOM 0 HA ASN A 52 1.652 -0.341 8.390 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.559 0.567 7.958 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.136 0.022 6.444 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.456 -1.357 7.600 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.630 0.046 8.286 1.00 0.62 H new ATOM 866 N PHE A 53 -0.491 -2.642 9.427 1.00 0.81 N ATOM 867 CA PHE A 53 -1.076 -3.247 10.623 1.00 0.82 C ATOM 868 C PHE A 53 -1.640 -2.184 11.563 1.00 0.84 C ATOM 869 O PHE A 53 -1.656 -2.364 12.782 1.00 1.20 O ATOM 870 CB PHE A 53 -0.029 -4.088 11.358 1.00 0.96 C ATOM 871 CG PHE A 53 -0.468 -5.500 11.626 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.782 -5.779 11.965 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.433 -6.548 11.536 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.188 -7.077 12.211 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.033 -7.848 11.782 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.281 -8.111 12.124 1.00 1.96 C ATOM 0 H PHE A 53 -0.747 -3.104 8.554 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.896 -3.890 10.304 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.888 -4.108 10.768 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.212 -3.606 12.305 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.497 -4.973 12.038 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.460 -6.347 11.270 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.216 -7.281 12.471 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.745 -8.657 11.707 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.596 -9.125 12.323 1.00 1.96 H new ATOM 886 N SER A 54 -2.098 -1.075 10.990 1.00 0.79 N ATOM 887 CA SER A 54 -2.659 0.017 11.777 1.00 0.89 C ATOM 888 C SER A 54 -3.894 0.605 11.101 1.00 0.95 C ATOM 889 O SER A 54 -4.466 -0.003 10.195 1.00 1.89 O ATOM 890 CB SER A 54 -1.609 1.110 11.985 1.00 1.00 C ATOM 891 OG SER A 54 -0.336 0.548 12.252 1.00 1.71 O ATOM 0 H SER A 54 -2.091 -0.909 9.984 1.00 0.79 H new ATOM 0 HA SER A 54 -2.958 -0.384 12.745 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.553 1.739 11.097 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.907 1.753 12.813 1.00 1.00 H new ATOM 0 HG SER A 54 0.118 0.350 11.406 1.00 1.71 H new ATOM 897 N ASN A 55 -4.301 1.789 11.548 1.00 0.75 N ATOM 898 CA ASN A 55 -5.471 2.458 10.988 1.00 0.69 C ATOM 899 C ASN A 55 -5.065 3.464 9.915 1.00 0.66 C ATOM 900 O ASN A 55 -4.517 4.524 10.218 1.00 1.05 O ATOM 901 CB ASN A 55 -6.257 3.163 12.094 1.00 0.84 C ATOM 902 CG ASN A 55 -7.755 3.114 11.864 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.174 3.397 10.636 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -8.526 2.824 12.779 1.00 0.83 N flip ATOM 0 H ASN A 55 -3.838 2.305 12.296 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.104 1.701 10.526 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.025 2.699 13.053 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.936 4.203 12.157 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.160 2.614 13.707 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -9.531 2.794 12.609 1.00 0.83 H new ATOM 911 N ILE A 56 -5.342 3.126 8.660 1.00 0.40 N ATOM 912 CA ILE A 56 -5.013 3.999 7.540 1.00 0.33 C ATOM 913 C ILE A 56 -6.276 4.613 6.946 1.00 0.31 C ATOM 914 O ILE A 56 -6.638 4.334 5.803 1.00 0.53 O ATOM 915 CB ILE A 56 -4.257 3.232 6.434 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.002 2.567 7.005 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.894 4.169 5.291 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.170 1.847 5.964 1.00 0.69 C ATOM 0 H ILE A 56 -5.795 2.252 8.393 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.369 4.790 7.925 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.911 2.452 6.045 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.387 3.326 7.488 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.297 1.857 7.777 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.362 3.613 4.520 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.803 4.596 4.868 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.257 4.970 5.666 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.297 1.400 6.441 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.769 1.065 5.497 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.844 2.557 5.204 1.00 0.69 H new ATOM 930 N LEU A 57 -6.947 5.450 7.734 1.00 0.44 N ATOM 931 CA LEU A 57 -8.177 6.103 7.293 1.00 0.45 C ATOM 932 C LEU A 57 -8.018 6.714 5.903 1.00 0.42 C ATOM 933 O LEU A 57 -8.647 6.267 4.945 1.00 0.60 O ATOM 934 CB LEU A 57 -8.594 7.182 8.294 1.00 0.48 C ATOM 935 CG LEU A 57 -9.842 6.852 9.115 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.122 7.954 10.125 1.00 1.60 C ATOM 937 CD2 LEU A 57 -11.042 6.643 8.203 1.00 0.72 C ATOM 0 H LEU A 57 -6.659 5.692 8.682 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.955 5.342 7.240 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.765 7.363 8.978 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.769 8.112 7.752 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.661 5.925 9.660 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.013 7.703 10.700 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.271 8.054 10.799 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.282 8.896 9.601 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.920 6.409 8.805 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.226 7.552 7.630 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.840 5.818 7.520 1.00 0.72 H new ATOM 949 N GLU A 58 -7.176 7.737 5.798 1.00 0.39 N ATOM 950 CA GLU A 58 -6.941 8.400 4.528 1.00 0.43 C ATOM 951 C GLU A 58 -6.041 7.554 3.643 1.00 0.51 C ATOM 952 O GLU A 58 -5.361 6.643 4.118 1.00 1.09 O ATOM 953 CB GLU A 58 -6.312 9.776 4.753 1.00 0.44 C ATOM 954 CG GLU A 58 -4.871 9.713 5.227 1.00 0.44 C ATOM 955 CD GLU A 58 -4.669 10.379 6.572 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.953 11.590 6.685 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.226 9.691 7.515 1.00 1.54 O ATOM 0 H GLU A 58 -6.646 8.122 6.580 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.900 8.530 4.027 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.356 10.343 3.823 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.904 10.322 5.488 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.559 8.671 5.292 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.229 10.192 4.488 1.00 0.44 H new ATOM 964 N ASN A 59 -6.043 7.860 2.358 1.00 0.31 N ATOM 965 CA ASN A 59 -5.225 7.126 1.401 1.00 0.28 C ATOM 966 C ASN A 59 -3.751 7.525 1.495 1.00 0.28 C ATOM 967 O ASN A 59 -2.906 6.965 0.795 1.00 0.49 O ATOM 968 CB ASN A 59 -5.731 7.344 -0.025 1.00 0.32 C ATOM 969 CG ASN A 59 -6.094 8.790 -0.302 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.564 9.706 0.326 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.004 9.001 -1.245 1.00 0.91 N ATOM 0 H ASN A 59 -6.600 8.611 1.950 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.308 6.068 1.651 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -4.965 7.024 -0.731 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.605 6.715 -0.196 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.290 9.953 -1.474 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.417 8.211 -1.741 1.00 0.91 H new ATOM 978 N GLU A 60 -3.440 8.484 2.366 1.00 0.29 N ATOM 979 CA GLU A 60 -2.066 8.931 2.541 1.00 0.29 C ATOM 980 C GLU A 60 -1.423 8.157 3.680 1.00 0.27 C ATOM 981 O GLU A 60 -1.642 8.461 4.852 1.00 0.35 O ATOM 982 CB GLU A 60 -2.025 10.434 2.829 1.00 0.34 C ATOM 983 CG GLU A 60 -0.617 11.004 2.883 1.00 0.49 C ATOM 984 CD GLU A 60 -0.574 12.488 2.573 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.498 12.844 1.378 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.616 13.295 3.526 1.00 1.91 O ATOM 0 H GLU A 60 -4.120 8.962 2.957 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.510 8.745 1.622 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.591 10.959 2.060 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.523 10.627 3.779 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.198 10.832 3.874 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.014 10.470 2.173 1.00 0.49 H new ATOM 993 N PHE A 61 -0.645 7.142 3.331 1.00 0.24 N ATOM 994 CA PHE A 61 0.003 6.317 4.339 1.00 0.24 C ATOM 995 C PHE A 61 1.470 6.060 4.011 1.00 0.24 C ATOM 996 O PHE A 61 1.918 6.261 2.882 1.00 0.25 O ATOM 997 CB PHE A 61 -0.742 4.982 4.463 1.00 0.28 C ATOM 998 CG PHE A 61 -0.039 3.974 5.325 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.162 4.010 6.704 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.755 2.995 4.751 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.491 3.084 7.495 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.409 2.070 5.534 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.278 2.112 6.909 1.00 0.48 C ATOM 0 H PHE A 61 -0.449 6.872 2.367 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.032 6.857 5.285 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.735 5.167 4.873 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.882 4.561 3.467 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.775 4.770 7.166 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.862 2.957 3.677 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.386 3.120 8.569 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.024 1.311 5.073 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.790 1.387 7.524 1.00 0.48 H new ATOM 1013 N THR A 62 2.204 5.597 5.019 1.00 0.25 N ATOM 1014 CA THR A 62 3.610 5.288 4.870 1.00 0.27 C ATOM 1015 C THR A 62 3.871 3.853 5.281 1.00 0.29 C ATOM 1016 O THR A 62 3.529 3.445 6.391 1.00 0.35 O ATOM 1017 CB THR A 62 4.463 6.241 5.706 1.00 0.33 C ATOM 1018 OG1 THR A 62 3.991 7.572 5.590 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.924 6.236 5.316 1.00 0.37 C ATOM 0 H THR A 62 1.837 5.428 5.955 1.00 0.25 H new ATOM 0 HA THR A 62 3.884 5.413 3.822 1.00 0.27 H new ATOM 0 HB THR A 62 4.377 5.880 6.731 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.557 8.066 4.961 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.472 6.934 5.949 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.331 5.233 5.445 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.023 6.537 4.273 1.00 0.37 H new ATOM 1027 N VAL A 63 4.471 3.081 4.384 1.00 0.31 N ATOM 1028 CA VAL A 63 4.754 1.689 4.677 1.00 0.36 C ATOM 1029 C VAL A 63 6.010 1.545 5.519 1.00 0.38 C ATOM 1030 O VAL A 63 7.126 1.530 4.999 1.00 0.50 O ATOM 1031 CB VAL A 63 4.896 0.861 3.392 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.880 -0.625 3.712 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.785 1.220 2.419 1.00 0.58 C ATOM 0 H VAL A 63 4.767 3.394 3.459 1.00 0.31 H new ATOM 0 HA VAL A 63 3.905 1.307 5.245 1.00 0.36 H new ATOM 0 HB VAL A 63 5.853 1.093 2.925 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.982 -1.197 2.790 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.708 -0.862 4.379 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.938 -0.883 4.197 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.892 0.629 1.510 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.818 1.010 2.877 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.846 2.280 2.172 1.00 0.58 H new ATOM 1043 N SER A 64 5.816 1.440 6.827 1.00 0.49 N ATOM 1044 CA SER A 64 6.929 1.295 7.754 1.00 0.55 C ATOM 1045 C SER A 64 7.259 -0.174 7.978 1.00 0.63 C ATOM 1046 O SER A 64 6.375 -0.998 8.212 1.00 0.99 O ATOM 1047 CB SER A 64 6.614 1.973 9.085 1.00 0.63 C ATOM 1048 OG SER A 64 5.269 2.418 9.131 1.00 1.33 O ATOM 0 H SER A 64 4.897 1.453 7.270 1.00 0.49 H new ATOM 0 HA SER A 64 7.799 1.781 7.313 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.797 1.276 9.903 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.285 2.820 9.232 1.00 0.63 H new ATOM 0 HG SER A 64 5.096 2.846 9.995 1.00 1.33 H new ATOM 1054 N GLY A 65 8.541 -0.490 7.892 1.00 0.71 N ATOM 1055 CA GLY A 65 8.993 -1.853 8.073 1.00 0.78 C ATOM 1056 C GLY A 65 10.050 -2.222 7.055 1.00 0.72 C ATOM 1057 O GLY A 65 10.881 -3.098 7.294 1.00 0.90 O ATOM 0 H GLY A 65 9.284 0.181 7.698 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.396 -1.974 9.079 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.146 -2.534 7.984 1.00 0.78 H new ATOM 1061 N LEU A 66 10.014 -1.538 5.915 1.00 0.64 N ATOM 1062 CA LEU A 66 10.965 -1.773 4.844 1.00 0.65 C ATOM 1063 C LEU A 66 12.395 -1.782 5.377 1.00 0.59 C ATOM 1064 O LEU A 66 12.677 -1.234 6.442 1.00 0.65 O ATOM 1065 CB LEU A 66 10.807 -0.690 3.779 1.00 0.74 C ATOM 1066 CG LEU A 66 9.688 -0.931 2.765 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.393 -1.322 3.462 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.493 0.306 1.900 1.00 0.89 C ATOM 0 H LEU A 66 9.328 -0.811 5.713 1.00 0.64 H new ATOM 0 HA LEU A 66 10.764 -2.750 4.404 1.00 0.65 H new ATOM 0 HB2 LEU A 66 10.625 0.263 4.277 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.749 -0.593 3.240 1.00 0.74 H new ATOM 0 HG LEU A 66 9.976 -1.762 2.121 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.614 -1.487 2.717 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.549 -2.237 4.033 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.087 -0.522 4.136 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.694 0.125 1.181 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.227 1.154 2.532 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.418 0.527 1.367 1.00 0.89 H new ATOM 1080 N THR A 67 13.292 -2.409 4.628 1.00 0.65 N ATOM 1081 CA THR A 67 14.692 -2.490 5.021 1.00 0.69 C ATOM 1082 C THR A 67 15.595 -1.950 3.920 1.00 0.72 C ATOM 1083 O THR A 67 15.314 -2.123 2.734 1.00 1.06 O ATOM 1084 CB THR A 67 15.070 -3.935 5.345 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.989 -4.606 5.970 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.271 -4.053 6.258 1.00 0.99 C ATOM 0 H THR A 67 13.075 -2.869 3.744 1.00 0.65 H new ATOM 0 HA THR A 67 14.830 -1.879 5.913 1.00 0.69 H new ATOM 0 HB THR A 67 15.319 -4.389 4.386 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.376 -4.946 5.286 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.483 -5.106 6.446 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.135 -3.588 5.784 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.061 -3.551 7.202 1.00 0.99 H new ATOM 1094 N GLU A 68 16.677 -1.291 4.318 1.00 0.66 N ATOM 1095 CA GLU A 68 17.618 -0.723 3.360 1.00 0.67 C ATOM 1096 C GLU A 68 18.219 -1.807 2.469 1.00 0.60 C ATOM 1097 O GLU A 68 18.474 -2.924 2.919 1.00 0.69 O ATOM 1098 CB GLU A 68 18.732 0.028 4.092 1.00 0.76 C ATOM 1099 CG GLU A 68 18.917 1.458 3.612 1.00 0.96 C ATOM 1100 CD GLU A 68 20.374 1.870 3.545 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.066 1.451 2.594 1.00 1.91 O ATOM 1102 OE2 GLU A 68 20.823 2.612 4.444 1.00 1.89 O ATOM 0 H GLU A 68 16.924 -1.137 5.296 1.00 0.66 H new ATOM 0 HA GLU A 68 17.071 -0.024 2.727 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.512 0.037 5.160 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.669 -0.514 3.964 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.468 1.566 2.625 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.383 2.133 4.281 1.00 0.96 H new ATOM 1109 N ASP A 69 18.443 -1.466 1.204 1.00 0.52 N ATOM 1110 CA ASP A 69 19.015 -2.399 0.242 1.00 0.49 C ATOM 1111 C ASP A 69 18.027 -3.511 -0.104 1.00 0.44 C ATOM 1112 O ASP A 69 18.395 -4.683 -0.155 1.00 0.54 O ATOM 1113 CB ASP A 69 20.304 -3.005 0.798 1.00 0.59 C ATOM 1114 CG ASP A 69 21.384 -3.133 -0.257 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.834 -2.090 -0.776 1.00 1.87 O ATOM 1116 OD2 ASP A 69 21.782 -4.276 -0.565 1.00 1.66 O ATOM 0 H ASP A 69 18.235 -0.544 0.820 1.00 0.52 H new ATOM 0 HA ASP A 69 19.240 -1.845 -0.670 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.671 -2.385 1.616 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.089 -3.989 1.215 1.00 0.59 H new ATOM 1121 N ALA A 70 16.770 -3.140 -0.341 1.00 0.40 N ATOM 1122 CA ALA A 70 15.746 -4.122 -0.679 1.00 0.40 C ATOM 1123 C ALA A 70 14.578 -3.488 -1.427 1.00 0.35 C ATOM 1124 O ALA A 70 13.928 -2.572 -0.923 1.00 0.36 O ATOM 1125 CB ALA A 70 15.242 -4.804 0.581 1.00 0.49 C ATOM 0 H ALA A 70 16.440 -2.176 -0.305 1.00 0.40 H new ATOM 0 HA ALA A 70 16.203 -4.861 -1.338 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.478 -5.535 0.318 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.071 -5.308 1.078 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.815 -4.059 1.252 1.00 0.49 H new ATOM 1131 N ALA A 71 14.309 -3.994 -2.626 1.00 0.33 N ATOM 1132 CA ALA A 71 13.208 -3.491 -3.437 1.00 0.30 C ATOM 1133 C ALA A 71 11.881 -3.989 -2.875 1.00 0.27 C ATOM 1134 O ALA A 71 11.718 -5.183 -2.624 1.00 0.36 O ATOM 1135 CB ALA A 71 13.379 -3.924 -4.886 1.00 0.34 C ATOM 0 H ALA A 71 14.839 -4.752 -3.057 1.00 0.33 H new ATOM 0 HA ALA A 71 13.211 -2.401 -3.406 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.549 -3.541 -5.480 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.317 -3.529 -5.276 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.393 -5.013 -4.941 1.00 0.34 H new ATOM 1141 N TYR A 72 10.942 -3.073 -2.656 1.00 0.24 N ATOM 1142 CA TYR A 72 9.646 -3.443 -2.093 1.00 0.24 C ATOM 1143 C TYR A 72 8.469 -2.991 -2.953 1.00 0.21 C ATOM 1144 O TYR A 72 8.321 -1.807 -3.249 1.00 0.23 O ATOM 1145 CB TYR A 72 9.488 -2.821 -0.707 1.00 0.30 C ATOM 1146 CG TYR A 72 10.206 -3.556 0.396 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.591 -4.595 1.087 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.505 -3.214 0.739 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.258 -5.267 2.093 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.177 -3.880 1.739 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.507 -4.914 2.439 1.00 0.46 C ATOM 1152 OH TYR A 72 12.218 -5.573 3.417 1.00 0.56 O ATOM 0 H TYR A 72 11.051 -2.079 -2.857 1.00 0.24 H new ATOM 0 HA TYR A 72 9.632 -4.532 -2.046 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.854 -1.795 -0.740 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.427 -2.774 -0.463 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.580 -4.880 0.834 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.999 -2.411 0.212 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.771 -6.083 2.606 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.196 -3.619 1.985 1.00 0.42 H new ATOM 0 HH TYR A 72 13.175 -5.526 3.213 1.00 0.56 H new ATOM 1162 N GLU A 73 7.610 -3.943 -3.316 1.00 0.21 N ATOM 1163 CA GLU A 73 6.415 -3.638 -4.105 1.00 0.21 C ATOM 1164 C GLU A 73 5.220 -3.633 -3.161 1.00 0.23 C ATOM 1165 O GLU A 73 5.140 -4.491 -2.285 1.00 0.32 O ATOM 1166 CB GLU A 73 6.204 -4.676 -5.214 1.00 0.25 C ATOM 1167 CG GLU A 73 7.490 -5.308 -5.734 1.00 0.65 C ATOM 1168 CD GLU A 73 7.664 -5.132 -7.231 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.652 -4.894 -7.922 1.00 1.32 O ATOM 1170 OE2 GLU A 73 8.814 -5.233 -7.710 1.00 1.50 O ATOM 0 H GLU A 73 7.718 -4.929 -3.078 1.00 0.21 H new ATOM 0 HA GLU A 73 6.532 -2.666 -4.585 1.00 0.21 H new ATOM 0 HB2 GLU A 73 5.552 -5.464 -4.838 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.684 -4.201 -6.046 1.00 0.25 H new ATOM 0 HG2 GLU A 73 8.342 -4.865 -5.219 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.490 -6.371 -5.495 1.00 0.65 H new ATOM 1177 N PHE A 74 4.296 -2.681 -3.290 1.00 0.22 N ATOM 1178 CA PHE A 74 3.161 -2.686 -2.341 1.00 0.28 C ATOM 1179 C PHE A 74 1.814 -2.289 -2.937 1.00 0.25 C ATOM 1180 O PHE A 74 1.658 -1.219 -3.514 1.00 0.30 O ATOM 1181 CB PHE A 74 3.439 -1.790 -1.118 1.00 0.39 C ATOM 1182 CG PHE A 74 4.750 -1.068 -1.151 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.921 0.020 -1.981 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.802 -1.475 -0.354 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.119 0.695 -2.020 1.00 0.60 C ATOM 1186 CE2 PHE A 74 7.007 -0.804 -0.386 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.167 0.281 -1.221 1.00 0.53 C ATOM 0 H PHE A 74 4.295 -1.939 -3.990 1.00 0.22 H new ATOM 0 HA PHE A 74 3.081 -3.732 -2.045 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.638 -1.055 -1.034 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.402 -2.405 -0.219 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.104 0.346 -2.608 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.680 -2.326 0.300 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.240 1.546 -2.674 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.824 -1.128 0.242 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.110 0.806 -1.250 1.00 0.53 H new ATOM 1197 N ARG A 75 0.830 -3.162 -2.731 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.535 -2.921 -3.180 1.00 0.34 C ATOM 1199 C ARG A 75 -1.376 -2.582 -1.961 1.00 0.31 C ATOM 1200 O ARG A 75 -0.832 -2.429 -0.867 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.112 -4.147 -3.894 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.573 -5.469 -3.377 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.330 -6.651 -3.964 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.494 -7.452 -4.855 1.00 0.87 N ATOM 1205 CZ ARG A 75 -0.978 -8.258 -5.795 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.288 -8.371 -5.966 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.152 -8.952 -6.566 1.00 1.87 N ATOM 0 H ARG A 75 0.958 -4.052 -2.250 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.542 -2.098 -3.894 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.197 -4.141 -3.787 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.897 -4.070 -4.960 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.485 -5.554 -3.626 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.647 -5.492 -2.290 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.703 -7.280 -3.155 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.199 -6.288 -4.512 1.00 1.08 H new ATOM 0 HE ARG A 75 0.519 -7.389 -4.750 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.927 -7.839 -5.376 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.657 -8.990 -6.688 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.856 -8.868 -6.438 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.525 -9.570 -7.287 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.686 -2.461 -2.114 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.506 -2.137 -0.953 1.00 0.39 C ATOM 1223 C VAL A 76 -4.927 -2.680 -1.047 1.00 0.31 C ATOM 1224 O VAL A 76 -5.715 -2.280 -1.906 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.522 -0.601 -0.661 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.456 0.202 -1.945 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.734 -0.162 0.164 1.00 0.47 C ATOM 0 H VAL A 76 -3.190 -2.576 -2.993 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.030 -2.643 -0.113 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.632 -0.401 -0.064 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.469 1.266 -1.710 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.537 -0.041 -2.479 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.314 -0.042 -2.571 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.688 0.914 0.334 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.649 -0.406 -0.376 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.729 -0.681 1.123 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.245 -3.561 -0.107 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.555 -4.140 0.003 1.00 0.31 C ATOM 1239 C ILE A 77 -7.278 -3.386 1.106 1.00 0.30 C ATOM 1240 O ILE A 77 -6.649 -2.946 2.067 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.478 -5.639 0.345 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.865 -6.408 -0.820 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.852 -6.181 0.675 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.319 -7.762 -0.432 1.00 0.42 C ATOM 0 H ILE A 77 -4.588 -3.889 0.601 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.084 -4.059 -0.946 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.843 -5.766 1.222 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.620 -6.539 -1.595 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.062 -5.813 -1.255 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.777 -7.242 0.914 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.259 -5.644 1.532 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.511 -6.048 -0.183 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.899 -8.251 -1.311 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.541 -7.638 0.321 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.123 -8.376 -0.025 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.576 -3.211 0.976 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.310 -2.474 1.992 1.00 0.30 C ATOM 1258 C ALA A 78 -10.788 -2.801 1.983 1.00 0.34 C ATOM 1259 O ALA A 78 -11.420 -2.855 0.928 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.111 -0.981 1.792 1.00 0.39 C ATOM 0 H ALA A 78 -9.137 -3.558 0.198 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.915 -2.775 2.962 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.664 -0.435 2.556 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.050 -0.742 1.870 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.476 -0.694 0.806 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.340 -2.999 3.170 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.751 -3.293 3.297 1.00 0.43 C ATOM 1268 C LYS A 79 -13.542 -2.018 3.034 1.00 0.59 C ATOM 1269 O LYS A 79 -13.076 -1.138 2.310 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.063 -3.853 4.685 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.189 -5.025 5.086 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.031 -6.204 5.547 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.261 -7.094 6.509 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.115 -6.468 7.852 1.00 1.98 N ATOM 0 H LYS A 79 -10.831 -2.961 4.053 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.035 -4.052 2.568 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.947 -3.058 5.421 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.107 -4.165 4.714 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.569 -5.325 4.242 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.514 -4.722 5.886 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.936 -5.839 6.032 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.346 -6.788 4.682 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.775 -8.050 6.609 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.274 -7.304 6.098 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.818 -7.189 8.541 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.399 -5.715 7.808 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.026 -6.062 8.147 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.725 -1.903 3.616 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.528 -0.714 3.418 1.00 0.70 C ATOM 1290 C ASN A 80 -16.355 -0.399 4.678 1.00 0.87 C ATOM 1291 O ASN A 80 -15.786 0.011 5.690 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.359 -0.856 2.130 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.129 -2.166 1.992 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.554 -2.516 0.892 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.316 -2.906 3.078 1.00 2.05 N ATOM 0 H ASN A 80 -15.144 -2.610 4.221 1.00 0.65 H new ATOM 0 HA ASN A 80 -14.887 0.155 3.273 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.068 -0.030 2.082 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.692 -0.754 1.274 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -17.823 -3.789 3.013 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -16.953 -2.592 3.978 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.673 -0.586 4.648 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.495 -0.307 5.826 1.00 0.82 C ATOM 1304 C ALA A 81 -19.421 -1.476 6.186 1.00 0.88 C ATOM 1305 O ALA A 81 -20.010 -1.493 7.267 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.310 0.959 5.619 1.00 0.83 C ATOM 0 H ALA A 81 -18.189 -0.924 3.836 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.811 -0.165 6.662 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -19.915 1.151 6.505 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.638 1.800 5.449 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -19.962 0.835 4.754 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.550 -2.450 5.286 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.406 -3.605 5.527 1.00 0.90 C ATOM 1314 C ALA A 82 -19.591 -4.855 5.857 1.00 0.88 C ATOM 1315 O ALA A 82 -20.156 -5.921 6.104 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.287 -3.857 4.313 1.00 0.94 C ATOM 0 H ALA A 82 -19.072 -2.460 4.385 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.032 -3.384 6.391 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.924 -4.721 4.499 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.909 -2.981 4.126 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.660 -4.049 3.442 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.264 -4.729 5.857 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.418 -5.868 6.158 1.00 0.86 C ATOM 1324 C GLY A 83 -16.765 -6.447 4.921 1.00 0.78 C ATOM 1325 O GLY A 83 -15.771 -7.167 5.016 1.00 0.93 O ATOM 0 H GLY A 83 -17.765 -3.863 5.655 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.646 -5.566 6.865 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.013 -6.640 6.646 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.317 -6.133 3.752 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.768 -6.629 2.500 1.00 0.78 C ATOM 1331 C ALA A 84 -15.310 -6.214 2.361 1.00 0.76 C ATOM 1332 O ALA A 84 -14.889 -5.208 2.932 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.585 -6.120 1.322 1.00 0.92 C ATOM 0 H ALA A 84 -18.140 -5.540 3.649 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.818 -7.718 2.505 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.160 -6.501 0.393 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.615 -6.464 1.418 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.566 -5.030 1.310 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.542 -6.990 1.609 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.131 -6.685 1.416 1.00 0.40 C ATOM 1341 C ILE A 85 -12.829 -6.311 -0.028 1.00 0.38 C ATOM 1342 O ILE A 85 -12.807 -7.164 -0.913 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.233 -7.865 1.837 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.762 -7.446 1.817 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.461 -9.063 0.926 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.088 -7.544 3.169 1.00 0.79 C ATOM 0 H ILE A 85 -14.868 -7.828 1.127 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.911 -5.829 2.054 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.497 -8.155 2.854 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.224 -8.072 1.105 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.690 -6.420 1.457 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.818 -9.886 1.239 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.504 -9.374 0.988 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.224 -8.789 -0.102 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.047 -7.232 3.080 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.602 -6.897 3.880 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.129 -8.574 3.522 1.00 0.79 H new ATOM 1358 N SER A 86 -12.589 -5.024 -0.257 1.00 0.39 N ATOM 1359 CA SER A 86 -12.279 -4.545 -1.596 1.00 0.45 C ATOM 1360 C SER A 86 -10.944 -5.131 -2.058 1.00 0.44 C ATOM 1361 O SER A 86 -9.939 -5.030 -1.343 1.00 0.43 O ATOM 1362 CB SER A 86 -12.247 -3.011 -1.627 1.00 0.54 C ATOM 1363 OG SER A 86 -10.924 -2.508 -1.606 1.00 0.59 O ATOM 0 H SER A 86 -12.603 -4.300 0.462 1.00 0.39 H new ATOM 0 HA SER A 86 -13.060 -4.875 -2.281 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.756 -2.656 -2.523 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.797 -2.619 -0.772 1.00 0.54 H new ATOM 0 HG SER A 86 -10.612 -2.446 -0.679 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.916 -5.761 -3.249 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.706 -6.375 -3.794 1.00 0.61 C ATOM 1371 C PRO A 87 -8.452 -5.532 -3.583 1.00 0.54 C ATOM 1372 O PRO A 87 -8.528 -4.367 -3.191 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.023 -6.500 -5.279 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.500 -6.683 -5.333 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.069 -5.931 -4.157 1.00 0.59 C ATOM 0 HA PRO A 87 -9.479 -7.321 -3.302 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.713 -5.610 -5.827 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.502 -7.347 -5.726 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.904 -6.300 -6.270 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.762 -7.740 -5.281 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.483 -4.969 -4.461 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.875 -6.488 -3.679 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.272 -6.123 -3.845 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.984 -5.448 -3.686 1.00 0.56 C ATOM 1385 C PRO A 88 -5.701 -4.458 -4.805 1.00 0.48 C ATOM 1386 O PRO A 88 -5.650 -4.831 -5.977 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.955 -6.590 -3.735 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.744 -7.859 -3.766 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.094 -7.504 -4.311 1.00 0.72 C ATOM 0 HA PRO A 88 -5.957 -4.867 -2.764 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.320 -6.505 -4.617 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.299 -6.561 -2.865 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.256 -8.605 -4.393 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.829 -8.288 -2.768 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.123 -7.572 -5.398 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.872 -8.165 -3.929 1.00 0.72 H new ATOM 1397 N SER A 89 -5.501 -3.199 -4.439 1.00 0.43 N ATOM 1398 CA SER A 89 -5.201 -2.171 -5.421 1.00 0.42 C ATOM 1399 C SER A 89 -3.832 -2.450 -6.036 1.00 0.35 C ATOM 1400 O SER A 89 -2.878 -2.731 -5.307 1.00 0.51 O ATOM 1401 CB SER A 89 -5.217 -0.786 -4.773 1.00 0.56 C ATOM 1402 OG SER A 89 -6.275 0.006 -5.284 1.00 1.28 O ATOM 0 H SER A 89 -5.541 -2.868 -3.475 1.00 0.43 H new ATOM 0 HA SER A 89 -5.962 -2.188 -6.201 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.324 -0.888 -3.693 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.265 -0.286 -4.953 1.00 0.56 H new ATOM 0 HG SER A 89 -5.962 0.925 -5.414 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.746 -2.385 -7.371 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.496 -2.645 -8.105 1.00 0.37 C ATOM 1410 C GLU A 90 -1.257 -2.188 -7.320 1.00 0.34 C ATOM 1411 O GLU A 90 -1.145 -1.021 -6.966 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.534 -1.943 -9.463 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.810 -2.883 -10.624 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.663 -2.940 -11.614 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.838 -2.002 -11.621 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -1.588 -3.924 -12.380 1.00 1.76 O ATOM 0 H GLU A 90 -4.536 -2.152 -7.973 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.418 -3.723 -8.245 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.302 -1.170 -9.442 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.581 -1.442 -9.631 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -3.002 -3.884 -10.238 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.715 -2.561 -11.140 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.315 -3.110 -7.032 1.00 0.30 N ATOM 1424 CA PRO A 91 0.910 -2.795 -6.274 1.00 0.29 C ATOM 1425 C PRO A 91 1.705 -1.622 -6.840 1.00 0.31 C ATOM 1426 O PRO A 91 1.629 -1.317 -8.030 1.00 0.55 O ATOM 1427 CB PRO A 91 1.733 -4.080 -6.379 1.00 0.36 C ATOM 1428 CG PRO A 91 0.731 -5.157 -6.593 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.369 -4.536 -7.410 1.00 0.39 C ATOM 0 HA PRO A 91 0.666 -2.491 -5.256 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.442 -4.029 -7.206 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.313 -4.254 -5.472 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.174 -6.006 -7.114 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.349 -5.531 -5.643 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.203 -4.675 -8.478 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.339 -4.976 -7.178 1.00 0.39 H new ATOM 1437 N SER A 92 2.486 -0.979 -5.968 1.00 0.27 N ATOM 1438 CA SER A 92 3.321 0.146 -6.365 1.00 0.31 C ATOM 1439 C SER A 92 4.706 -0.346 -6.731 1.00 0.27 C ATOM 1440 O SER A 92 5.183 -1.345 -6.175 1.00 0.24 O ATOM 1441 CB SER A 92 3.449 1.192 -5.250 1.00 0.39 C ATOM 1442 OG SER A 92 2.607 0.911 -4.155 1.00 1.23 O ATOM 0 H SER A 92 2.554 -1.223 -4.980 1.00 0.27 H new ATOM 0 HA SER A 92 2.841 0.616 -7.223 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.484 1.232 -4.909 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.206 2.177 -5.649 1.00 0.39 H new ATOM 0 HG SER A 92 2.833 0.032 -3.785 1.00 1.23 H new ATOM 1448 N ASP A 93 5.343 0.373 -7.657 1.00 0.33 N ATOM 1449 CA ASP A 93 6.684 0.043 -8.123 1.00 0.36 C ATOM 1450 C ASP A 93 7.588 -0.350 -6.965 1.00 0.32 C ATOM 1451 O ASP A 93 7.436 0.141 -5.846 1.00 0.56 O ATOM 1452 CB ASP A 93 7.288 1.230 -8.878 1.00 0.45 C ATOM 1453 CG ASP A 93 6.518 1.567 -10.141 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.273 0.649 -10.950 1.00 1.63 O ATOM 1455 OD2 ASP A 93 6.161 2.751 -10.319 1.00 1.55 O ATOM 0 H ASP A 93 4.942 1.198 -8.102 1.00 0.33 H new ATOM 0 HA ASP A 93 6.605 -0.810 -8.797 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.306 2.102 -8.224 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.323 1.004 -9.136 1.00 0.45 H new ATOM 1460 N ALA A 94 8.524 -1.241 -7.242 1.00 0.33 N ATOM 1461 CA ALA A 94 9.450 -1.711 -6.229 1.00 0.28 C ATOM 1462 C ALA A 94 10.517 -0.668 -5.916 1.00 0.29 C ATOM 1463 O ALA A 94 11.231 -0.210 -6.808 1.00 0.41 O ATOM 1464 CB ALA A 94 10.101 -3.003 -6.687 1.00 0.34 C ATOM 0 H ALA A 94 8.662 -1.654 -8.164 1.00 0.33 H new ATOM 0 HA ALA A 94 8.885 -1.891 -5.314 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.795 -3.351 -5.923 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.333 -3.759 -6.851 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.643 -2.828 -7.617 1.00 0.34 H new ATOM 1470 N ILE A 95 10.624 -0.304 -4.643 1.00 0.25 N ATOM 1471 CA ILE A 95 11.611 0.675 -4.212 1.00 0.28 C ATOM 1472 C ILE A 95 12.789 -0.016 -3.537 1.00 0.26 C ATOM 1473 O ILE A 95 12.658 -0.538 -2.429 1.00 0.25 O ATOM 1474 CB ILE A 95 11.008 1.704 -3.237 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.810 2.401 -3.879 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.060 2.723 -2.821 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.480 1.843 -3.429 1.00 0.44 C ATOM 0 H ILE A 95 10.039 -0.673 -3.893 1.00 0.25 H new ATOM 0 HA ILE A 95 11.950 1.200 -5.105 1.00 0.28 H new ATOM 0 HB ILE A 95 10.667 1.180 -2.344 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.848 3.464 -3.643 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.885 2.312 -4.963 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.617 3.443 -2.132 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.887 2.212 -2.329 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.429 3.245 -3.703 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.673 2.383 -3.923 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.422 0.786 -3.689 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.384 1.956 -2.349 1.00 0.44 H new ATOM 1489 N THR A 96 13.938 -0.021 -4.209 1.00 0.29 N ATOM 1490 CA THR A 96 15.141 -0.653 -3.670 1.00 0.32 C ATOM 1491 C THR A 96 15.363 -0.254 -2.217 1.00 0.32 C ATOM 1492 O THR A 96 15.942 -1.011 -1.436 1.00 0.38 O ATOM 1493 CB THR A 96 16.366 -0.267 -4.501 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.239 -0.736 -5.831 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.661 -0.816 -3.941 1.00 0.43 C ATOM 0 H THR A 96 14.062 0.405 -5.127 1.00 0.29 H new ATOM 0 HA THR A 96 15.000 -1.733 -3.718 1.00 0.32 H new ATOM 0 HB THR A 96 16.406 0.822 -4.471 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.032 -0.477 -6.346 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.492 -0.507 -4.575 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.813 -0.432 -2.932 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.612 -1.905 -3.912 1.00 0.43 H new ATOM 1503 N CYS A 97 14.894 0.937 -1.860 1.00 0.32 N ATOM 1504 CA CYS A 97 15.038 1.435 -0.498 1.00 0.36 C ATOM 1505 C CYS A 97 16.491 1.349 -0.049 1.00 0.43 C ATOM 1506 O CYS A 97 16.884 0.394 0.615 1.00 0.64 O ATOM 1507 CB CYS A 97 14.153 0.627 0.452 1.00 0.38 C ATOM 1508 SG CYS A 97 12.381 0.832 0.165 1.00 1.10 S ATOM 0 H CYS A 97 14.412 1.574 -2.494 1.00 0.32 H new ATOM 0 HA CYS A 97 14.726 2.479 -0.477 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.406 -0.429 0.357 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.380 0.918 1.478 1.00 0.38 H new ATOM 0 HG CYS A 97 12.042 0.204 -0.922 1.00 1.10 H new ATOM 1514 N ARG A 98 17.285 2.349 -0.412 1.00 0.53 N ATOM 1515 CA ARG A 98 18.696 2.370 -0.040 1.00 0.63 C ATOM 1516 C ARG A 98 19.094 3.720 0.543 1.00 0.80 C ATOM 1517 O ARG A 98 19.048 3.919 1.757 1.00 1.04 O ATOM 1518 CB ARG A 98 19.584 2.023 -1.243 1.00 0.68 C ATOM 1519 CG ARG A 98 18.987 2.404 -2.590 1.00 0.74 C ATOM 1520 CD ARG A 98 19.990 3.154 -3.452 1.00 0.92 C ATOM 1521 NE ARG A 98 20.931 2.252 -4.108 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.028 2.663 -4.735 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.316 3.956 -4.790 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.837 1.782 -5.309 1.00 2.68 N ATOM 0 H ARG A 98 16.979 3.153 -0.961 1.00 0.53 H new ATOM 0 HA ARG A 98 18.845 1.613 0.729 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.544 2.526 -1.129 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.783 0.951 -1.236 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.659 1.505 -3.111 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.104 3.023 -2.435 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.458 3.733 -4.206 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.540 3.864 -2.834 1.00 0.92 H new ATOM 0 HE ARG A 98 20.736 1.251 -4.084 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.695 4.636 -4.351 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.158 4.271 -5.271 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.617 0.787 -5.270 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.679 2.100 -5.790 1.00 2.68 H new ATOM 1538 N ASP A 99 19.482 4.642 -0.323 1.00 0.92 N ATOM 1539 CA ASP A 99 19.886 5.974 0.110 1.00 1.20 C ATOM 1540 C ASP A 99 18.746 6.980 -0.051 1.00 1.03 C ATOM 1541 O ASP A 99 18.951 8.186 0.090 1.00 1.20 O ATOM 1542 CB ASP A 99 21.108 6.440 -0.686 1.00 1.61 C ATOM 1543 CG ASP A 99 20.729 7.075 -2.009 1.00 1.71 C ATOM 1544 OD1 ASP A 99 19.543 6.990 -2.391 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.620 7.657 -2.665 1.00 2.14 O ATOM 0 H ASP A 99 19.526 4.494 -1.331 1.00 0.92 H new ATOM 0 HA ASP A 99 20.144 5.918 1.168 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.674 7.157 -0.091 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.765 5.589 -0.869 1.00 1.61 H new ATOM 1550 N ASP A 100 17.541 6.481 -0.348 1.00 0.85 N ATOM 1551 CA ASP A 100 16.374 7.342 -0.527 1.00 0.92 C ATOM 1552 C ASP A 100 16.710 8.558 -1.388 1.00 1.22 C ATOM 1553 O ASP A 100 16.097 9.617 -1.256 1.00 1.38 O ATOM 1554 CB ASP A 100 15.841 7.790 0.832 1.00 0.87 C ATOM 1555 CG ASP A 100 16.779 8.749 1.538 1.00 1.32 C ATOM 1556 OD1 ASP A 100 16.941 9.889 1.052 1.00 2.03 O ATOM 1557 OD2 ASP A 100 17.355 8.360 2.576 1.00 2.06 O ATOM 0 H ASP A 100 17.352 5.486 -0.469 1.00 0.85 H new ATOM 0 HA ASP A 100 15.605 6.767 -1.043 1.00 0.92 H new ATOM 0 HB2 ASP A 100 14.871 8.269 0.698 1.00 0.87 H new ATOM 0 HB3 ASP A 100 15.680 6.915 1.462 1.00 0.87 H new