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 109:sc= 1.03 USER MOD Set 1.2: A 72 TYR OH : rot 106:sc= -1.51! USER MOD Set 2.1: A 35 SER OG : rot 106:sc= 1.17 USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= 1.11 F(o=0.73,f=2.3) USER MOD Set 3.1: A 19 THR OG1 : rot 179:sc= -0.968 USER MOD Set 3.2: A 62 THR OG1 : rot -118:sc= 0.863 USER MOD Set 4.1: A 12 ASN :FLIP amide:sc= -0.272 F(o=-0.62,f=0.66) USER MOD Set 4.2: A 14 THR OG1 : rot 95:sc= 1.08 USER MOD Set 4.3: A 17 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.182 F(o=-1.1,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -0.268 (180deg=-1.46!) 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 51:sc= 0.29! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -49:sc= 0.981 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= -0.69 (180deg=-3.5!) USER MOD Single : A 45 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.0086) USER MOD Single : A 50 LYS NZ :NH3+ -142:sc= -0.0267 (180deg=-0.553) USER MOD Single : A 52 ASN : amide:sc= -0.232 K(o=-0.23,f=-9!) USER MOD Single : A 54 SER OG : rot 66:sc= -0.0662 USER MOD Single : A 59 ASN : amide:sc= 0.275! C(o=0.27!,f=-6.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.265! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -12.7! C(o=-13!,f=-19!) USER MOD Single : A 86 SER OG : rot -32:sc= 0.954 USER MOD Single : A 89 SER OG : rot 83:sc= 0.634 USER MOD Single : A 92 SER OG : rot -113:sc= -1.87! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -92:sc= 0.38 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -19.165 -2.551 -4.616 1.00 0.68 N ATOM 27 CA ILE A 2 -18.042 -1.955 -3.906 1.00 0.61 C ATOM 28 C ILE A 2 -16.851 -1.751 -4.832 1.00 0.57 C ATOM 29 O ILE A 2 -16.613 -2.542 -5.744 1.00 0.63 O ATOM 30 CB ILE A 2 -17.606 -2.821 -2.706 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.408 -2.188 -1.987 1.00 0.60 C ATOM 32 CG2 ILE A 2 -17.270 -4.229 -3.166 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.885 -3.024 -0.842 1.00 0.56 C ATOM 0 HA ILE A 2 -18.382 -0.987 -3.538 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.435 -2.875 -2.001 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.605 -2.028 -2.707 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.697 -1.208 -1.609 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.964 -4.829 -2.309 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -18.148 -4.680 -3.629 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.457 -4.191 -3.891 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.039 -2.517 -0.378 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.674 -3.163 -0.103 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.565 -3.996 -1.218 1.00 0.56 H new ATOM 45 N ASP A 3 -16.101 -0.685 -4.583 1.00 0.55 N ATOM 46 CA ASP A 3 -14.925 -0.370 -5.384 1.00 0.54 C ATOM 47 C ASP A 3 -13.729 -0.108 -4.475 1.00 0.47 C ATOM 48 O ASP A 3 -13.825 0.665 -3.524 1.00 0.49 O ATOM 49 CB ASP A 3 -15.193 0.849 -6.269 1.00 0.61 C ATOM 50 CG ASP A 3 -15.151 0.510 -7.747 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.177 0.033 -8.276 1.00 2.00 O ATOM 52 OD2 ASP A 3 -14.092 0.725 -8.374 1.00 1.64 O ATOM 0 H ASP A 3 -16.287 -0.022 -3.830 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.701 -1.222 -6.026 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -16.169 1.266 -6.022 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.453 1.620 -6.055 1.00 0.61 H new ATOM 57 N PRO A 4 -12.581 -0.752 -4.741 1.00 0.44 N ATOM 58 CA PRO A 4 -11.385 -0.578 -3.924 1.00 0.41 C ATOM 59 C PRO A 4 -10.599 0.681 -4.288 1.00 0.38 C ATOM 60 O PRO A 4 -10.928 1.376 -5.250 1.00 0.43 O ATOM 61 CB PRO A 4 -10.586 -1.835 -4.235 1.00 0.45 C ATOM 62 CG PRO A 4 -10.913 -2.121 -5.661 1.00 0.50 C ATOM 63 CD PRO A 4 -12.353 -1.705 -5.846 1.00 0.50 C ATOM 0 HA PRO A 4 -11.617 -0.450 -2.867 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.517 -1.675 -4.094 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.872 -2.662 -3.585 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.257 -1.566 -6.331 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.780 -3.179 -5.888 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.514 -1.239 -6.818 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -13.028 -2.558 -5.786 1.00 0.50 H new ATOM 71 N PRO A 5 -9.552 0.993 -3.506 1.00 0.37 N ATOM 72 CA PRO A 5 -8.710 2.179 -3.723 1.00 0.39 C ATOM 73 C PRO A 5 -8.119 2.255 -5.130 1.00 0.38 C ATOM 74 O PRO A 5 -8.253 1.325 -5.925 1.00 0.47 O ATOM 75 CB PRO A 5 -7.598 2.013 -2.685 1.00 0.46 C ATOM 76 CG PRO A 5 -8.205 1.173 -1.621 1.00 0.71 C ATOM 77 CD PRO A 5 -9.109 0.215 -2.333 1.00 0.43 C ATOM 0 HA PRO A 5 -9.285 3.099 -3.622 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.720 1.533 -3.117 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.274 2.977 -2.293 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.439 0.643 -1.055 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -8.762 1.783 -0.910 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.584 -0.695 -2.626 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.949 -0.089 -1.708 1.00 0.43 H new ATOM 85 N GLY A 6 -7.466 3.379 -5.424 1.00 0.37 N ATOM 86 CA GLY A 6 -6.857 3.581 -6.728 1.00 0.39 C ATOM 87 C GLY A 6 -5.433 3.052 -6.801 1.00 0.42 C ATOM 88 O GLY A 6 -5.013 2.266 -5.952 1.00 0.66 O ATOM 0 H GLY A 6 -7.348 4.158 -4.776 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.463 3.087 -7.487 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.857 4.645 -6.963 1.00 0.39 H new ATOM 92 N LYS A 7 -4.691 3.489 -7.818 1.00 0.41 N ATOM 93 CA LYS A 7 -3.305 3.062 -8.002 1.00 0.44 C ATOM 94 C LYS A 7 -2.377 3.826 -7.054 1.00 0.37 C ATOM 95 O LYS A 7 -2.237 5.044 -7.170 1.00 0.42 O ATOM 96 CB LYS A 7 -2.869 3.292 -9.450 1.00 0.54 C ATOM 97 CG LYS A 7 -1.432 2.880 -9.724 1.00 0.64 C ATOM 98 CD LYS A 7 -0.537 4.090 -9.937 1.00 1.01 C ATOM 99 CE LYS A 7 0.847 3.690 -10.422 1.00 0.95 C ATOM 100 NZ LYS A 7 1.545 4.815 -11.104 1.00 1.52 N ATOM 0 H LYS A 7 -5.027 4.140 -8.528 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.241 1.998 -7.774 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.531 2.735 -10.113 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.989 4.348 -9.694 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.056 2.290 -8.888 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.397 2.241 -10.606 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.997 4.759 -10.664 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.449 4.646 -9.003 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.445 3.352 -9.575 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.761 2.847 -11.108 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.485 4.500 -11.419 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.988 5.121 -11.927 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.650 5.610 -10.442 1.00 1.52 H new ATOM 114 N PRO A 8 -1.735 3.133 -6.094 1.00 0.34 N ATOM 115 CA PRO A 8 -0.830 3.766 -5.116 1.00 0.32 C ATOM 116 C PRO A 8 0.496 4.216 -5.718 1.00 0.33 C ATOM 117 O PRO A 8 0.997 3.617 -6.669 1.00 0.44 O ATOM 118 CB PRO A 8 -0.600 2.654 -4.078 1.00 0.39 C ATOM 119 CG PRO A 8 -1.674 1.662 -4.358 1.00 0.44 C ATOM 120 CD PRO A 8 -1.832 1.687 -5.844 1.00 0.41 C ATOM 0 HA PRO A 8 -1.263 4.679 -4.707 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.390 2.209 -4.184 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.669 3.039 -3.061 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.398 0.668 -4.005 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.603 1.931 -3.856 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.051 1.124 -6.354 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.787 1.273 -6.167 1.00 0.41 H new ATOM 128 N VAL A 9 1.056 5.281 -5.147 1.00 0.34 N ATOM 129 CA VAL A 9 2.325 5.827 -5.613 1.00 0.38 C ATOM 130 C VAL A 9 3.132 6.417 -4.455 1.00 0.34 C ATOM 131 O VAL A 9 2.776 7.469 -3.917 1.00 0.35 O ATOM 132 CB VAL A 9 2.100 6.927 -6.668 1.00 0.43 C ATOM 133 CG1 VAL A 9 3.393 7.233 -7.411 1.00 0.53 C ATOM 134 CG2 VAL A 9 1.002 6.523 -7.638 1.00 1.09 C ATOM 0 H VAL A 9 0.648 5.783 -4.358 1.00 0.34 H new ATOM 0 HA VAL A 9 2.881 5.002 -6.059 1.00 0.38 H new ATOM 0 HB VAL A 9 1.782 7.834 -6.154 1.00 0.43 H new ATOM 0 HG11 VAL A 9 3.212 8.012 -8.151 1.00 0.53 H new ATOM 0 HG12 VAL A 9 4.148 7.574 -6.702 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.747 6.332 -7.912 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.859 7.313 -8.375 1.00 1.09 H new ATOM 0 HG22 VAL A 9 1.286 5.601 -8.145 1.00 1.09 H new ATOM 0 HG23 VAL A 9 0.073 6.365 -7.090 1.00 1.09 H new ATOM 144 N PRO A 10 4.228 5.745 -4.045 1.00 0.34 N ATOM 145 CA PRO A 10 5.070 6.212 -2.946 1.00 0.32 C ATOM 146 C PRO A 10 5.659 7.602 -3.192 1.00 0.37 C ATOM 147 O PRO A 10 6.712 7.721 -3.817 1.00 0.64 O ATOM 148 CB PRO A 10 6.209 5.206 -2.883 1.00 0.38 C ATOM 149 CG PRO A 10 5.713 3.997 -3.592 1.00 0.39 C ATOM 150 CD PRO A 10 4.715 4.481 -4.606 1.00 0.42 C ATOM 0 HA PRO A 10 4.484 6.288 -2.030 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.107 5.600 -3.360 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.472 4.975 -1.851 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.533 3.467 -4.076 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.250 3.299 -2.894 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.177 4.629 -5.582 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.904 3.765 -4.742 1.00 0.42 H new ATOM 158 N LEU A 11 5.005 8.655 -2.699 1.00 0.34 N ATOM 159 CA LEU A 11 5.527 10.010 -2.887 1.00 0.43 C ATOM 160 C LEU A 11 6.985 10.057 -2.450 1.00 0.43 C ATOM 161 O LEU A 11 7.850 10.585 -3.150 1.00 0.57 O ATOM 162 CB LEU A 11 4.712 11.032 -2.088 1.00 0.56 C ATOM 163 CG LEU A 11 3.209 11.093 -2.401 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.926 10.753 -3.860 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.442 10.165 -1.475 1.00 1.12 C ATOM 0 H LEU A 11 4.131 8.600 -2.177 1.00 0.34 H new ATOM 0 HA LEU A 11 5.449 10.267 -3.944 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.833 10.813 -1.027 1.00 0.56 H new ATOM 0 HB3 LEU A 11 5.138 12.020 -2.260 1.00 0.56 H new ATOM 0 HG LEU A 11 2.872 12.116 -2.233 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.853 10.806 -4.045 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.441 11.464 -4.506 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.281 9.745 -4.074 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.378 10.217 -1.707 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.793 9.142 -1.612 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.603 10.468 -0.441 1.00 1.12 H new ATOM 177 N ASN A 12 7.240 9.471 -1.289 1.00 0.34 N ATOM 178 CA ASN A 12 8.578 9.394 -0.731 1.00 0.36 C ATOM 179 C ASN A 12 8.922 7.930 -0.509 1.00 0.37 C ATOM 180 O ASN A 12 8.032 7.116 -0.277 1.00 0.58 O ATOM 181 CB ASN A 12 8.659 10.167 0.587 1.00 0.42 C ATOM 182 CG ASN A 12 10.068 10.216 1.141 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.500 9.118 1.753 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.761 11.225 1.021 1.00 0.71 N flip ATOM 0 H ASN A 12 6.523 9.036 -0.709 1.00 0.34 H new ATOM 0 HA ASN A 12 9.291 9.843 -1.422 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.297 11.183 0.432 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.999 9.702 1.319 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.389 12.046 0.543 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.708 11.241 1.399 1.00 0.71 H new ATOM 191 N ILE A 13 10.195 7.579 -0.593 1.00 0.38 N ATOM 192 CA ILE A 13 10.586 6.194 -0.408 1.00 0.43 C ATOM 193 C ILE A 13 11.924 6.071 0.308 1.00 0.53 C ATOM 194 O ILE A 13 12.962 5.860 -0.321 1.00 0.75 O ATOM 195 CB ILE A 13 10.649 5.456 -1.754 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.562 6.232 -2.737 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.231 5.246 -2.291 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.911 6.685 -4.033 1.00 0.96 C ATOM 0 H ILE A 13 10.963 8.223 -0.785 1.00 0.38 H new ATOM 0 HA ILE A 13 9.823 5.732 0.218 1.00 0.43 H new ATOM 0 HB ILE A 13 11.092 4.468 -1.626 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.952 7.110 -2.223 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.416 5.601 -2.984 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.277 4.722 -3.246 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.657 4.653 -1.579 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.748 6.213 -2.431 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.643 7.217 -4.641 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.547 5.816 -4.580 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.076 7.348 -3.808 1.00 0.96 H new ATOM 210 N THR A 14 11.890 6.198 1.631 1.00 0.59 N ATOM 211 CA THR A 14 13.097 6.093 2.438 1.00 0.71 C ATOM 212 C THR A 14 13.532 4.635 2.552 1.00 0.79 C ATOM 213 O THR A 14 12.725 3.721 2.385 1.00 1.46 O ATOM 214 CB THR A 14 12.872 6.698 3.825 1.00 0.75 C ATOM 215 OG1 THR A 14 11.702 7.494 3.838 1.00 0.69 O ATOM 216 CG2 THR A 14 14.018 7.568 4.290 1.00 0.94 C ATOM 0 H THR A 14 11.039 6.374 2.165 1.00 0.59 H new ATOM 0 HA THR A 14 13.892 6.654 1.947 1.00 0.71 H new ATOM 0 HB THR A 14 12.782 5.848 4.501 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.945 6.958 4.155 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.795 7.966 5.280 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.931 6.974 4.335 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.156 8.393 3.591 1.00 0.94 H new ATOM 224 N ARG A 15 14.815 4.426 2.821 1.00 0.66 N ATOM 225 CA ARG A 15 15.366 3.077 2.936 1.00 0.67 C ATOM 226 C ARG A 15 14.728 2.269 4.064 1.00 0.71 C ATOM 227 O ARG A 15 14.927 1.056 4.145 1.00 1.19 O ATOM 228 CB ARG A 15 16.888 3.112 3.112 1.00 0.80 C ATOM 229 CG ARG A 15 17.416 4.275 3.939 1.00 0.96 C ATOM 230 CD ARG A 15 16.766 4.341 5.311 1.00 1.13 C ATOM 231 NE ARG A 15 17.198 5.520 6.060 1.00 1.43 N ATOM 232 CZ ARG A 15 17.245 5.587 7.391 1.00 1.67 C ATOM 233 NH1 ARG A 15 16.892 4.546 8.132 1.00 2.42 N ATOM 234 NH2 ARG A 15 17.651 6.701 7.982 1.00 1.90 N ATOM 0 H ARG A 15 15.495 5.172 2.964 1.00 0.66 H new ATOM 0 HA ARG A 15 15.126 2.573 2.000 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.205 2.180 3.580 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.351 3.148 2.126 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.496 4.177 4.054 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.235 5.209 3.407 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.682 4.358 5.199 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.014 3.441 5.874 1.00 1.13 H new ATOM 0 HE ARG A 15 17.482 6.344 5.530 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.581 3.684 7.685 1.00 2.42 H new ATOM 0 HH12 ARG A 15 16.932 4.607 9.149 1.00 2.42 H new ATOM 0 HH21 ARG A 15 17.927 7.506 7.419 1.00 1.90 H new ATOM 0 HH22 ARG A 15 17.688 6.754 9.000 1.00 1.90 H new ATOM 248 N HIS A 16 13.964 2.921 4.933 1.00 0.50 N ATOM 249 CA HIS A 16 13.320 2.218 6.035 1.00 0.54 C ATOM 250 C HIS A 16 11.903 2.727 6.273 1.00 0.57 C ATOM 251 O HIS A 16 11.342 2.533 7.349 1.00 0.97 O ATOM 252 CB HIS A 16 14.147 2.358 7.313 1.00 0.67 C ATOM 253 CG HIS A 16 15.039 1.183 7.571 1.00 0.68 C ATOM 254 ND1 HIS A 16 16.276 0.900 7.087 1.00 0.97 N flip ATOM 255 CD2 HIS A 16 14.705 0.134 8.398 1.00 0.78 C flip ATOM 256 CE1 HIS A 16 16.703 -0.317 7.613 1.00 1.02 C flip ATOM 257 NE2 HIS A 16 15.724 -0.735 8.393 1.00 0.86 N flip ATOM 0 H HIS A 16 13.777 3.923 4.897 1.00 0.50 H new ATOM 0 HA HIS A 16 13.258 1.165 5.761 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.755 3.260 7.247 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.474 2.488 8.161 1.00 0.67 H new ATOM 0 HD2 HIS A 16 13.784 0.030 8.953 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.642 -0.816 7.422 1.00 1.02 H new ATOM 0 HE2 HIS A 16 15.741 -1.606 8.923 1.00 0.86 H new ATOM 265 N THR A 17 11.330 3.372 5.260 1.00 0.43 N ATOM 266 CA THR A 17 9.974 3.904 5.358 1.00 0.42 C ATOM 267 C THR A 17 9.586 4.607 4.066 1.00 0.38 C ATOM 268 O THR A 17 10.106 5.677 3.755 1.00 0.56 O ATOM 269 CB THR A 17 9.853 4.880 6.528 1.00 0.56 C ATOM 270 OG1 THR A 17 11.103 5.486 6.814 1.00 0.65 O ATOM 271 CG2 THR A 17 9.349 4.234 7.801 1.00 0.68 C ATOM 0 H THR A 17 11.784 3.539 4.362 1.00 0.43 H new ATOM 0 HA THR A 17 9.298 3.067 5.530 1.00 0.42 H new ATOM 0 HB THR A 17 9.123 5.622 6.206 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.001 6.107 7.565 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.287 4.984 8.590 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.361 3.809 7.627 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.036 3.444 8.104 1.00 0.68 H new ATOM 279 N VAL A 18 8.672 4.008 3.313 1.00 0.27 N ATOM 280 CA VAL A 18 8.231 4.597 2.058 1.00 0.33 C ATOM 281 C VAL A 18 6.806 5.137 2.167 1.00 0.32 C ATOM 282 O VAL A 18 5.886 4.420 2.556 1.00 0.51 O ATOM 283 CB VAL A 18 8.305 3.594 0.885 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.722 3.054 0.694 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.302 2.476 1.046 1.00 0.80 C ATOM 0 H VAL A 18 8.225 3.122 3.548 1.00 0.27 H new ATOM 0 HA VAL A 18 8.915 5.421 1.852 1.00 0.33 H new ATOM 0 HB VAL A 18 8.041 4.138 -0.022 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.735 2.352 -0.140 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.401 3.880 0.483 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.043 2.544 1.603 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.383 1.790 0.203 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.503 1.938 1.972 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.295 2.892 1.079 1.00 0.80 H new ATOM 295 N THR A 19 6.623 6.406 1.819 1.00 0.27 N ATOM 296 CA THR A 19 5.302 7.017 1.880 1.00 0.24 C ATOM 297 C THR A 19 4.624 6.987 0.522 1.00 0.22 C ATOM 298 O THR A 19 5.260 7.260 -0.489 1.00 0.34 O ATOM 299 CB THR A 19 5.370 8.456 2.371 1.00 0.28 C ATOM 300 OG1 THR A 19 5.818 8.517 3.714 1.00 0.35 O ATOM 301 CG2 THR A 19 4.022 9.138 2.292 1.00 0.32 C ATOM 0 H THR A 19 7.365 7.026 1.495 1.00 0.27 H new ATOM 0 HA THR A 19 4.718 6.431 2.590 1.00 0.24 H new ATOM 0 HB THR A 19 6.076 8.970 1.719 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.869 9.453 4.000 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.111 10.163 2.651 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.678 9.144 1.258 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.304 8.598 2.910 1.00 0.32 H new ATOM 309 N LEU A 20 3.326 6.663 0.526 1.00 0.28 N ATOM 310 CA LEU A 20 2.536 6.586 -0.703 1.00 0.26 C ATOM 311 C LEU A 20 1.134 7.168 -0.532 1.00 0.28 C ATOM 312 O LEU A 20 0.649 7.365 0.589 1.00 0.40 O ATOM 313 CB LEU A 20 2.418 5.132 -1.179 1.00 0.33 C ATOM 314 CG LEU A 20 2.892 4.072 -0.183 1.00 0.39 C ATOM 315 CD1 LEU A 20 1.868 2.970 -0.046 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.235 3.537 -0.622 1.00 0.50 C ATOM 0 H LEU A 20 2.800 6.449 1.373 1.00 0.28 H new ATOM 0 HA LEU A 20 3.064 7.182 -1.448 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.375 4.933 -1.426 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.991 5.022 -2.100 1.00 0.33 H new ATOM 0 HG LEU A 20 3.006 4.524 0.802 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.226 2.227 0.667 1.00 0.52 H new ATOM 0 HD12 LEU A 20 0.927 3.390 0.309 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.711 2.496 -1.015 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.575 2.781 0.086 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.143 3.091 -1.612 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.958 4.352 -0.657 1.00 0.50 H new ATOM 328 N LYS A 21 0.491 7.428 -1.670 1.00 0.25 N ATOM 329 CA LYS A 21 -0.863 7.980 -1.691 1.00 0.31 C ATOM 330 C LYS A 21 -1.594 7.560 -2.969 1.00 0.31 C ATOM 331 O LYS A 21 -0.960 7.281 -3.989 1.00 0.51 O ATOM 332 CB LYS A 21 -0.810 9.505 -1.583 1.00 0.40 C ATOM 333 CG LYS A 21 -2.097 10.126 -1.067 1.00 0.81 C ATOM 334 CD LYS A 21 -3.169 10.148 -2.140 1.00 0.95 C ATOM 335 CE LYS A 21 -3.683 11.557 -2.390 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.961 12.282 -1.118 1.00 1.84 N ATOM 0 H LYS A 21 0.889 7.264 -2.595 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.414 7.587 -0.836 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.009 9.785 -0.921 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.584 9.922 -2.564 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.454 9.563 -0.205 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.901 11.142 -0.725 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.766 9.738 -3.066 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.997 9.506 -1.841 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.948 12.113 -2.972 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.593 11.510 -2.988 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.720 12.976 -1.273 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.257 11.602 -0.388 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.101 12.775 -0.804 1.00 1.84 H new ATOM 350 N TRP A 22 -2.927 7.504 -2.907 1.00 0.25 N ATOM 351 CA TRP A 22 -3.729 7.104 -4.063 1.00 0.24 C ATOM 352 C TRP A 22 -5.079 7.819 -4.115 1.00 0.24 C ATOM 353 O TRP A 22 -5.343 8.736 -3.341 1.00 0.40 O ATOM 354 CB TRP A 22 -3.966 5.606 -4.008 1.00 0.27 C ATOM 355 CG TRP A 22 -4.560 5.151 -2.716 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.870 4.883 -2.463 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.857 4.912 -1.499 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.023 4.481 -1.158 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.799 4.492 -0.544 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.519 5.010 -1.132 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.441 4.171 0.764 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.161 4.692 0.163 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.118 4.275 1.098 1.00 0.32 C ATOM 0 H TRP A 22 -3.470 7.729 -2.073 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.174 7.382 -4.959 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.628 5.319 -4.825 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.020 5.089 -4.167 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.671 4.973 -3.182 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.905 4.217 -0.718 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.774 5.329 -1.846 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.179 3.853 1.486 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.125 4.766 0.461 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.805 4.031 2.102 1.00 0.32 H new ATOM 374 N ALA A 23 -5.930 7.375 -5.039 1.00 0.31 N ATOM 375 CA ALA A 23 -7.259 7.944 -5.213 1.00 0.33 C ATOM 376 C ALA A 23 -8.232 7.382 -4.174 1.00 0.36 C ATOM 377 O ALA A 23 -7.816 6.893 -3.124 1.00 0.83 O ATOM 378 CB ALA A 23 -7.758 7.655 -6.623 1.00 0.36 C ATOM 0 H ALA A 23 -5.716 6.614 -5.684 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.201 9.023 -5.068 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.753 8.082 -6.751 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -7.076 8.099 -7.348 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.802 6.577 -6.779 1.00 0.36 H new ATOM 384 N LYS A 24 -9.525 7.456 -4.475 1.00 0.59 N ATOM 385 CA LYS A 24 -10.556 6.958 -3.572 1.00 0.61 C ATOM 386 C LYS A 24 -11.691 6.316 -4.361 1.00 0.59 C ATOM 387 O LYS A 24 -12.095 6.837 -5.401 1.00 0.69 O ATOM 388 CB LYS A 24 -11.102 8.108 -2.721 1.00 0.74 C ATOM 389 CG LYS A 24 -11.897 7.658 -1.504 1.00 1.21 C ATOM 390 CD LYS A 24 -13.286 7.163 -1.886 1.00 1.22 C ATOM 391 CE LYS A 24 -14.369 7.966 -1.184 1.00 1.55 C ATOM 392 NZ LYS A 24 -14.943 9.018 -2.067 1.00 2.11 N ATOM 0 H LYS A 24 -9.884 7.858 -5.341 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.114 6.205 -2.920 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.269 8.727 -2.389 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.738 8.737 -3.344 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.356 6.863 -0.991 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.987 8.487 -0.802 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.417 7.237 -2.966 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.384 6.109 -1.625 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.163 7.295 -0.856 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.954 8.430 -0.289 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.678 9.542 -1.550 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.191 9.674 -2.360 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.362 8.574 -2.909 1.00 2.11 H new ATOM 406 N PRO A 25 -12.225 5.174 -3.876 1.00 0.56 N ATOM 407 CA PRO A 25 -13.319 4.461 -4.534 1.00 0.63 C ATOM 408 C PRO A 25 -14.308 5.400 -5.221 1.00 0.75 C ATOM 409 O PRO A 25 -14.526 6.526 -4.775 1.00 0.89 O ATOM 410 CB PRO A 25 -13.992 3.732 -3.375 1.00 0.63 C ATOM 411 CG PRO A 25 -12.905 3.487 -2.378 1.00 0.71 C ATOM 412 CD PRO A 25 -11.800 4.485 -2.646 1.00 0.58 C ATOM 0 HA PRO A 25 -12.962 3.807 -5.330 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.793 4.333 -2.944 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.440 2.795 -3.707 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.285 3.601 -1.363 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.529 2.468 -2.465 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.685 5.184 -1.818 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.839 3.989 -2.780 1.00 0.58 H new ATOM 420 N GLU A 26 -14.894 4.928 -6.311 1.00 0.85 N ATOM 421 CA GLU A 26 -15.853 5.721 -7.071 1.00 1.05 C ATOM 422 C GLU A 26 -17.295 5.359 -6.718 1.00 0.95 C ATOM 423 O GLU A 26 -18.227 5.770 -7.411 1.00 1.12 O ATOM 424 CB GLU A 26 -15.623 5.528 -8.571 1.00 1.29 C ATOM 425 CG GLU A 26 -14.194 5.803 -9.011 1.00 1.83 C ATOM 426 CD GLU A 26 -13.525 6.878 -8.176 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.875 7.009 -6.985 1.00 2.77 O ATOM 428 OE2 GLU A 26 -12.647 7.587 -8.714 1.00 2.53 O ATOM 0 H GLU A 26 -14.723 3.997 -6.691 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.697 6.767 -6.808 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.886 4.505 -8.841 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.296 6.186 -9.120 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.614 4.883 -8.945 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.192 6.107 -10.058 1.00 1.83 H new ATOM 435 N TYR A 27 -17.484 4.592 -5.647 1.00 0.85 N ATOM 436 CA TYR A 27 -18.820 4.193 -5.233 1.00 0.84 C ATOM 437 C TYR A 27 -18.812 3.532 -3.859 1.00 0.86 C ATOM 438 O TYR A 27 -19.361 4.072 -2.898 1.00 1.37 O ATOM 439 CB TYR A 27 -19.423 3.236 -6.257 1.00 0.86 C ATOM 440 CG TYR A 27 -20.930 3.235 -6.254 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.644 4.319 -6.743 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.639 2.149 -5.763 1.00 0.93 C ATOM 443 CE1 TYR A 27 -23.025 4.322 -6.743 1.00 1.28 C ATOM 444 CE2 TYR A 27 -23.021 2.142 -5.760 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.710 3.236 -6.246 1.00 1.19 C ATOM 446 OH TYR A 27 -25.086 3.230 -6.248 1.00 1.35 O ATOM 0 H TYR A 27 -16.732 4.238 -5.056 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.427 5.096 -5.170 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -19.068 3.508 -7.251 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -19.065 2.226 -6.056 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.111 5.175 -7.130 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -21.103 1.295 -5.377 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.565 5.173 -7.131 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.559 1.286 -5.380 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.410 2.389 -5.864 1.00 1.35 H new ATOM 456 N THR A 28 -18.200 2.355 -3.772 1.00 0.65 N ATOM 457 CA THR A 28 -18.140 1.620 -2.515 1.00 0.61 C ATOM 458 C THR A 28 -19.535 1.475 -1.924 1.00 0.66 C ATOM 459 O THR A 28 -19.752 1.733 -0.741 1.00 0.81 O ATOM 460 CB THR A 28 -17.221 2.324 -1.515 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.310 3.730 -1.650 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.767 1.939 -1.668 1.00 0.79 C ATOM 0 H THR A 28 -17.740 1.891 -4.555 1.00 0.65 H new ATOM 0 HA THR A 28 -17.733 0.630 -2.719 1.00 0.61 H new ATOM 0 HB THR A 28 -17.566 2.002 -0.532 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.251 4.002 -1.628 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.169 2.473 -0.929 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.657 0.865 -1.516 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.425 2.201 -2.669 1.00 0.79 H new ATOM 470 N GLY A 29 -20.485 1.065 -2.763 1.00 0.75 N ATOM 471 CA GLY A 29 -21.856 0.896 -2.310 1.00 0.80 C ATOM 472 C GLY A 29 -22.332 2.065 -1.462 1.00 0.85 C ATOM 473 O GLY A 29 -22.543 3.165 -1.972 1.00 1.01 O ATOM 0 H GLY A 29 -20.329 0.847 -3.747 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.511 0.787 -3.174 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.934 -0.025 -1.732 1.00 0.80 H new ATOM 477 N GLY A 30 -22.484 1.826 -0.164 1.00 0.83 N ATOM 478 CA GLY A 30 -22.916 2.870 0.745 1.00 0.89 C ATOM 479 C GLY A 30 -21.978 2.974 1.928 1.00 0.85 C ATOM 480 O GLY A 30 -22.380 3.338 3.034 1.00 0.98 O ATOM 0 H GLY A 30 -22.314 0.922 0.276 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.953 3.824 0.219 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.927 2.659 1.094 1.00 0.89 H new ATOM 484 N PHE A 31 -20.720 2.629 1.682 1.00 0.73 N ATOM 485 CA PHE A 31 -19.685 2.646 2.706 1.00 0.69 C ATOM 486 C PHE A 31 -18.622 3.692 2.385 1.00 0.67 C ATOM 487 O PHE A 31 -18.755 4.453 1.426 1.00 0.74 O ATOM 488 CB PHE A 31 -19.030 1.261 2.824 1.00 0.63 C ATOM 489 CG PHE A 31 -19.731 0.174 2.046 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.931 -0.362 2.492 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.180 -0.311 0.873 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.566 -1.359 1.778 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.811 -1.309 0.154 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.036 -1.821 0.617 1.00 0.83 C ATOM 0 H PHE A 31 -20.389 2.329 0.765 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.153 2.904 3.656 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.998 1.330 2.480 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.998 0.976 3.876 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.373 0.004 3.407 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.246 0.095 0.515 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.492 -1.775 2.147 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.368 -1.691 -0.754 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.554 -2.580 0.050 1.00 0.83 H new ATOM 504 N LYS A 32 -17.564 3.723 3.190 1.00 0.68 N ATOM 505 CA LYS A 32 -16.477 4.677 2.985 1.00 0.72 C ATOM 506 C LYS A 32 -15.119 4.059 3.307 1.00 0.66 C ATOM 507 O LYS A 32 -14.211 4.746 3.775 1.00 0.74 O ATOM 508 CB LYS A 32 -16.695 5.922 3.844 1.00 0.86 C ATOM 509 CG LYS A 32 -16.812 5.625 5.330 1.00 1.38 C ATOM 510 CD LYS A 32 -16.101 6.676 6.167 1.00 1.38 C ATOM 511 CE LYS A 32 -15.678 6.119 7.517 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.578 7.183 8.555 1.00 2.26 N ATOM 0 H LYS A 32 -17.436 3.101 3.988 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.480 4.958 1.932 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -15.867 6.612 3.684 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.601 6.428 3.511 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -17.864 5.585 5.612 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.388 4.643 5.540 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.224 7.038 5.630 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.760 7.532 6.315 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.396 5.365 7.839 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.715 5.619 7.417 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.287 6.760 9.459 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.874 7.890 8.261 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.503 7.644 8.670 1.00 2.26 H new ATOM 526 N ILE A 33 -14.985 2.764 3.052 1.00 0.67 N ATOM 527 CA ILE A 33 -13.736 2.054 3.312 1.00 0.66 C ATOM 528 C ILE A 33 -13.425 2.004 4.807 1.00 0.80 C ATOM 529 O ILE A 33 -13.517 0.949 5.433 1.00 1.71 O ATOM 530 CB ILE A 33 -12.553 2.714 2.583 1.00 0.59 C ATOM 531 CG1 ILE A 33 -12.853 2.867 1.086 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.289 1.901 2.815 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.665 1.599 0.282 1.00 0.91 C ATOM 0 H ILE A 33 -15.727 2.181 2.664 1.00 0.67 H new ATOM 0 HA ILE A 33 -13.871 1.040 2.937 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.399 3.714 2.987 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.880 3.211 0.966 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -12.207 3.643 0.675 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.453 2.372 2.297 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.076 1.857 3.883 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.431 0.891 2.431 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -12.898 1.794 -0.765 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.631 1.264 0.368 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.330 0.824 0.663 1.00 0.91 H new ATOM 545 N THR A 34 -13.061 3.159 5.366 1.00 0.72 N ATOM 546 CA THR A 34 -12.736 3.288 6.789 1.00 0.73 C ATOM 547 C THR A 34 -11.304 2.852 7.108 1.00 0.59 C ATOM 548 O THR A 34 -10.824 3.079 8.218 1.00 0.76 O ATOM 549 CB THR A 34 -13.724 2.504 7.659 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.303 1.161 7.823 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.133 2.485 7.107 1.00 1.15 C ATOM 0 H THR A 34 -12.983 4.033 4.845 1.00 0.72 H new ATOM 0 HA THR A 34 -12.819 4.349 7.023 1.00 0.73 H new ATOM 0 HB THR A 34 -13.737 3.029 8.614 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.073 0.781 6.949 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.777 1.913 7.774 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.507 3.506 7.029 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.131 2.023 6.120 1.00 1.15 H new ATOM 559 N SER A 35 -10.618 2.233 6.151 1.00 0.49 N ATOM 560 CA SER A 35 -9.241 1.790 6.383 1.00 0.47 C ATOM 561 C SER A 35 -8.645 1.115 5.156 1.00 0.45 C ATOM 562 O SER A 35 -9.322 0.360 4.465 1.00 0.72 O ATOM 563 CB SER A 35 -9.186 0.818 7.559 1.00 0.64 C ATOM 564 OG SER A 35 -7.903 0.822 8.163 1.00 1.58 O ATOM 0 H SER A 35 -10.983 2.028 5.221 1.00 0.49 H new ATOM 0 HA SER A 35 -8.654 2.681 6.606 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.940 1.092 8.297 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.427 -0.188 7.215 1.00 0.64 H new ATOM 0 HG SER A 35 -7.946 1.298 9.019 1.00 1.58 H new ATOM 570 N TYR A 36 -7.367 1.384 4.901 1.00 0.27 N ATOM 571 CA TYR A 36 -6.669 0.796 3.767 1.00 0.28 C ATOM 572 C TYR A 36 -5.520 -0.100 4.239 1.00 0.33 C ATOM 573 O TYR A 36 -4.794 0.243 5.170 1.00 0.68 O ATOM 574 CB TYR A 36 -6.134 1.897 2.852 1.00 0.29 C ATOM 575 CG TYR A 36 -7.207 2.835 2.346 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.152 2.407 1.423 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.275 4.149 2.793 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.134 3.260 0.958 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.254 5.009 2.333 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.181 4.561 1.415 1.00 0.60 C ATOM 581 OH TYR A 36 -10.158 5.414 0.955 1.00 0.76 O ATOM 0 H TYR A 36 -6.794 2.008 5.469 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.376 0.181 3.210 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.383 2.474 3.392 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.632 1.438 2.000 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.119 1.390 1.062 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.551 4.504 3.512 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.861 2.910 0.240 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.293 6.027 2.691 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.051 6.292 1.377 1.00 0.76 H new ATOM 591 N ILE A 37 -5.360 -1.248 3.590 1.00 0.24 N ATOM 592 CA ILE A 37 -4.296 -2.184 3.943 1.00 0.26 C ATOM 593 C ILE A 37 -3.322 -2.341 2.786 1.00 0.33 C ATOM 594 O ILE A 37 -3.739 -2.590 1.663 1.00 0.70 O ATOM 595 CB ILE A 37 -4.854 -3.573 4.304 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.154 -3.446 5.100 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.821 -4.368 5.088 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.938 -4.738 5.179 1.00 1.14 C ATOM 0 H ILE A 37 -5.952 -1.554 2.818 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.786 -1.771 4.813 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.075 -4.106 3.380 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.922 -3.108 6.110 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.778 -2.678 4.643 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.228 -5.348 5.337 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.922 -4.491 4.484 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.571 -3.835 6.006 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.848 -4.577 5.757 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.201 -5.066 4.173 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.331 -5.503 5.663 1.00 1.14 H new ATOM 610 N VAL A 38 -2.026 -2.195 3.056 1.00 0.36 N ATOM 611 CA VAL A 38 -1.020 -2.325 2.005 1.00 0.42 C ATOM 612 C VAL A 38 -0.143 -3.560 2.208 1.00 0.35 C ATOM 613 O VAL A 38 0.630 -3.634 3.162 1.00 0.48 O ATOM 614 CB VAL A 38 -0.103 -1.083 1.914 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.505 -0.974 0.523 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.852 0.194 2.271 1.00 0.46 C ATOM 0 H VAL A 38 -1.651 -1.989 3.982 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.580 -2.423 1.075 1.00 0.42 H new ATOM 0 HB VAL A 38 0.700 -1.208 2.641 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.148 -0.095 0.475 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.094 -1.866 0.313 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.291 -0.882 -0.216 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.176 1.046 2.196 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.686 0.331 1.583 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.231 0.121 3.290 1.00 0.46 H new ATOM 626 N GLU A 39 -0.263 -4.519 1.295 1.00 0.30 N ATOM 627 CA GLU A 39 0.523 -5.743 1.356 1.00 0.33 C ATOM 628 C GLU A 39 1.904 -5.513 0.743 1.00 0.32 C ATOM 629 O GLU A 39 2.029 -4.924 -0.326 1.00 0.43 O ATOM 630 CB GLU A 39 -0.196 -6.881 0.631 1.00 0.42 C ATOM 631 CG GLU A 39 -1.638 -7.065 1.067 1.00 0.51 C ATOM 632 CD GLU A 39 -2.272 -8.308 0.476 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.005 -8.605 -0.708 1.00 1.52 O ATOM 634 OE2 GLU A 39 -3.033 -8.987 1.196 1.00 1.67 O ATOM 0 H GLU A 39 -0.901 -4.470 0.501 1.00 0.30 H new ATOM 0 HA GLU A 39 0.644 -6.025 2.402 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.171 -6.690 -0.442 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.348 -7.810 0.802 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.680 -7.122 2.155 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.217 -6.190 0.771 1.00 0.51 H new ATOM 641 N LYS A 40 2.929 -5.961 1.452 1.00 0.28 N ATOM 642 CA LYS A 40 4.305 -5.802 1.044 1.00 0.31 C ATOM 643 C LYS A 40 4.866 -7.015 0.300 1.00 0.29 C ATOM 644 O LYS A 40 4.802 -8.143 0.789 1.00 0.35 O ATOM 645 CB LYS A 40 5.125 -5.556 2.299 1.00 0.43 C ATOM 646 CG LYS A 40 5.987 -4.360 2.184 1.00 0.92 C ATOM 647 CD LYS A 40 7.299 -4.559 2.922 1.00 1.14 C ATOM 648 CE LYS A 40 8.080 -3.266 3.026 1.00 1.65 C ATOM 649 NZ LYS A 40 7.430 -2.301 3.955 1.00 1.97 N ATOM 0 H LYS A 40 2.820 -6.452 2.339 1.00 0.28 H new ATOM 0 HA LYS A 40 4.357 -4.968 0.344 1.00 0.31 H new ATOM 0 HB2 LYS A 40 4.455 -5.437 3.150 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.745 -6.429 2.502 1.00 0.43 H new ATOM 0 HG2 LYS A 40 6.186 -4.151 1.133 1.00 0.92 H new ATOM 0 HG3 LYS A 40 5.466 -3.492 2.589 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.100 -4.946 3.921 1.00 1.14 H new ATOM 0 HD3 LYS A 40 7.899 -5.307 2.404 1.00 1.14 H new ATOM 0 HE2 LYS A 40 9.091 -3.479 3.372 1.00 1.65 H new ATOM 0 HE3 LYS A 40 8.170 -2.815 2.038 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.159 -1.444 3.432 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 6.581 -2.736 4.370 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 8.095 -2.048 4.714 1.00 1.97 H new ATOM 663 N ARG A 41 5.445 -6.761 -0.873 1.00 0.36 N ATOM 664 CA ARG A 41 6.052 -7.815 -1.679 1.00 0.40 C ATOM 665 C ARG A 41 7.565 -7.687 -1.656 1.00 0.41 C ATOM 666 O ARG A 41 8.145 -6.932 -2.440 1.00 0.43 O ATOM 667 CB ARG A 41 5.568 -7.770 -3.130 1.00 0.46 C ATOM 668 CG ARG A 41 6.161 -8.874 -3.996 1.00 0.58 C ATOM 669 CD ARG A 41 5.675 -8.791 -5.436 1.00 0.88 C ATOM 670 NE ARG A 41 4.751 -9.871 -5.770 1.00 0.95 N ATOM 671 CZ ARG A 41 4.144 -9.983 -6.950 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.359 -9.082 -7.900 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.322 -10.997 -7.182 1.00 1.44 N ATOM 0 H ARG A 41 5.506 -5.830 -1.286 1.00 0.36 H new ATOM 0 HA ARG A 41 5.751 -8.768 -1.245 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.481 -7.849 -3.146 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.824 -6.802 -3.561 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.249 -8.806 -3.976 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.894 -9.845 -3.579 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.183 -7.832 -5.597 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.531 -8.827 -6.109 1.00 0.88 H new ATOM 0 HE ARG A 41 4.560 -10.579 -5.061 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.991 -8.300 -7.728 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.892 -9.171 -8.803 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.153 -11.693 -6.456 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.858 -11.081 -8.087 1.00 1.44 H new ATOM 687 N ASP A 42 8.200 -8.426 -0.758 1.00 0.50 N ATOM 688 CA ASP A 42 9.647 -8.395 -0.646 1.00 0.57 C ATOM 689 C ASP A 42 10.273 -8.931 -1.924 1.00 0.62 C ATOM 690 O ASP A 42 9.758 -9.870 -2.526 1.00 0.91 O ATOM 691 CB ASP A 42 10.110 -9.225 0.553 1.00 0.71 C ATOM 692 CG ASP A 42 9.012 -10.114 1.100 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.906 -10.115 0.521 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.258 -10.810 2.107 1.00 1.49 O ATOM 0 H ASP A 42 7.736 -9.052 -0.099 1.00 0.50 H new ATOM 0 HA ASP A 42 9.965 -7.363 -0.495 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.959 -9.841 0.258 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.459 -8.557 1.341 1.00 0.71 H new ATOM 699 N LEU A 43 11.374 -8.333 -2.343 1.00 0.63 N ATOM 700 CA LEU A 43 12.045 -8.774 -3.560 1.00 0.68 C ATOM 701 C LEU A 43 13.503 -9.139 -3.278 1.00 0.81 C ATOM 702 O LEU A 43 14.211 -8.391 -2.605 1.00 0.90 O ATOM 703 CB LEU A 43 11.958 -7.685 -4.629 1.00 0.62 C ATOM 704 CG LEU A 43 10.539 -7.184 -4.909 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.570 -5.926 -5.758 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.716 -8.268 -5.588 1.00 0.70 C ATOM 0 H LEU A 43 11.821 -7.549 -1.867 1.00 0.63 H new ATOM 0 HA LEU A 43 11.542 -9.668 -3.928 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.574 -6.840 -4.320 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.384 -8.068 -5.556 1.00 0.62 H new ATOM 0 HG LEU A 43 10.069 -6.939 -3.957 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.551 -5.588 -5.945 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.121 -5.146 -5.232 1.00 0.80 H new ATOM 0 HD13 LEU A 43 11.061 -6.140 -6.707 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.710 -7.895 -5.780 1.00 0.70 H new ATOM 0 HD22 LEU A 43 10.186 -8.545 -6.532 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.661 -9.143 -4.940 1.00 0.70 H new ATOM 718 N PRO A 44 13.980 -10.300 -3.778 1.00 0.92 N ATOM 719 CA PRO A 44 13.193 -11.236 -4.587 1.00 0.99 C ATOM 720 C PRO A 44 12.484 -12.304 -3.751 1.00 1.15 C ATOM 721 O PRO A 44 12.543 -13.492 -4.072 1.00 1.43 O ATOM 722 CB PRO A 44 14.267 -11.873 -5.461 1.00 1.15 C ATOM 723 CG PRO A 44 15.480 -11.924 -4.588 1.00 1.25 C ATOM 724 CD PRO A 44 15.357 -10.790 -3.595 1.00 1.08 C ATOM 0 HA PRO A 44 12.387 -10.742 -5.130 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.972 -12.870 -5.789 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.449 -11.283 -6.359 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.545 -12.882 -4.073 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.388 -11.820 -5.182 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.525 -11.134 -2.574 1.00 1.08 H new ATOM 0 HD3 PRO A 44 16.089 -10.006 -3.792 1.00 1.08 H new ATOM 732 N ASN A 45 11.814 -11.879 -2.682 1.00 1.14 N ATOM 733 CA ASN A 45 11.098 -12.805 -1.807 1.00 1.33 C ATOM 734 C ASN A 45 9.646 -12.365 -1.623 1.00 1.43 C ATOM 735 O ASN A 45 9.192 -12.138 -0.502 1.00 2.42 O ATOM 736 CB ASN A 45 11.791 -12.895 -0.443 1.00 1.66 C ATOM 737 CG ASN A 45 13.301 -12.778 -0.543 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.908 -11.888 0.054 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.916 -13.676 -1.304 1.00 1.89 N ATOM 0 H ASN A 45 11.752 -10.900 -2.401 1.00 1.14 H new ATOM 0 HA ASN A 45 11.107 -13.789 -2.276 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.412 -12.105 0.205 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.535 -13.844 0.028 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.930 -13.645 -1.411 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.374 -14.397 -1.781 1.00 1.89 H new ATOM 746 N GLY A 46 8.927 -12.241 -2.737 1.00 0.90 N ATOM 747 CA GLY A 46 7.533 -11.821 -2.698 1.00 1.12 C ATOM 748 C GLY A 46 6.735 -12.480 -1.587 1.00 0.76 C ATOM 749 O GLY A 46 7.135 -13.520 -1.063 1.00 0.96 O ATOM 0 H GLY A 46 9.288 -12.425 -3.673 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.491 -10.739 -2.573 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.066 -12.050 -3.656 1.00 1.12 H new ATOM 753 N ARG A 47 5.600 -11.872 -1.230 1.00 0.80 N ATOM 754 CA ARG A 47 4.744 -12.410 -0.173 1.00 0.76 C ATOM 755 C ARG A 47 3.499 -11.544 0.056 1.00 0.85 C ATOM 756 O ARG A 47 2.439 -12.058 0.414 1.00 1.71 O ATOM 757 CB ARG A 47 5.527 -12.530 1.138 1.00 0.99 C ATOM 758 CG ARG A 47 5.804 -11.193 1.807 1.00 1.31 C ATOM 759 CD ARG A 47 7.004 -11.270 2.735 1.00 1.11 C ATOM 760 NE ARG A 47 6.897 -12.379 3.678 1.00 1.41 N ATOM 761 CZ ARG A 47 7.577 -12.447 4.817 1.00 1.71 C ATOM 762 NH1 ARG A 47 8.411 -11.473 5.155 1.00 2.03 N ATOM 763 NH2 ARG A 47 7.424 -13.491 5.622 1.00 2.41 N ATOM 0 H ARG A 47 5.255 -11.012 -1.656 1.00 0.80 H new ATOM 0 HA ARG A 47 4.415 -13.397 -0.499 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.969 -13.163 1.828 1.00 0.99 H new ATOM 0 HB3 ARG A 47 6.475 -13.031 0.941 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.981 -10.434 1.045 1.00 1.31 H new ATOM 0 HG3 ARG A 47 4.926 -10.879 2.372 1.00 1.31 H new ATOM 0 HD2 ARG A 47 7.913 -11.384 2.144 1.00 1.11 H new ATOM 0 HD3 ARG A 47 7.097 -10.334 3.286 1.00 1.11 H new ATOM 0 HE ARG A 47 6.264 -13.145 3.449 1.00 1.41 H new ATOM 0 HH11 ARG A 47 8.532 -10.669 4.540 1.00 2.03 H new ATOM 0 HH12 ARG A 47 8.932 -11.528 6.030 1.00 2.03 H new ATOM 0 HH21 ARG A 47 6.784 -14.243 5.366 1.00 2.41 H new ATOM 0 HH22 ARG A 47 7.947 -13.542 6.496 1.00 2.41 H new ATOM 777 N TRP A 48 3.631 -10.232 -0.137 1.00 0.50 N ATOM 778 CA TRP A 48 2.516 -9.315 0.071 1.00 0.43 C ATOM 779 C TRP A 48 2.071 -9.385 1.528 1.00 0.45 C ATOM 780 O TRP A 48 1.115 -10.090 1.855 1.00 0.65 O ATOM 781 CB TRP A 48 1.359 -9.673 -0.863 1.00 0.47 C ATOM 782 CG TRP A 48 1.708 -9.516 -2.311 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.695 -10.490 -3.266 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.133 -8.316 -2.970 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.087 -9.967 -4.474 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.361 -8.641 -4.319 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.345 -7.000 -2.556 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.787 -7.705 -5.251 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.772 -6.069 -3.484 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.989 -6.429 -4.819 1.00 0.38 C ATOM 0 H TRP A 48 4.497 -9.783 -0.436 1.00 0.50 H new ATOM 0 HA TRP A 48 2.834 -8.297 -0.155 1.00 0.43 H new ATOM 0 HB2 TRP A 48 1.055 -10.703 -0.678 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.502 -9.041 -0.630 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.418 -11.520 -3.097 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.161 -10.488 -5.348 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.178 -6.714 -1.528 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.953 -7.979 -6.283 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 2.941 -5.048 -3.174 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.324 -5.680 -5.521 1.00 0.38 H new ATOM 801 N LEU A 49 2.776 -8.673 2.412 1.00 0.38 N ATOM 802 CA LEU A 49 2.434 -8.705 3.836 1.00 0.42 C ATOM 803 C LEU A 49 2.039 -7.333 4.369 1.00 0.36 C ATOM 804 O LEU A 49 2.689 -6.328 4.081 1.00 0.39 O ATOM 805 CB LEU A 49 3.608 -9.261 4.645 1.00 0.52 C ATOM 806 CG LEU A 49 3.363 -10.633 5.276 1.00 0.67 C ATOM 807 CD1 LEU A 49 2.348 -10.526 6.403 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.896 -11.628 4.224 1.00 0.84 C ATOM 0 H LEU A 49 3.571 -8.079 2.174 1.00 0.38 H new ATOM 0 HA LEU A 49 1.568 -9.358 3.945 1.00 0.42 H new ATOM 0 HB2 LEU A 49 4.480 -9.327 3.994 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.853 -8.552 5.436 1.00 0.52 H new ATOM 0 HG LEU A 49 4.302 -10.994 5.694 1.00 0.67 H new ATOM 0 HD11 LEU A 49 2.185 -11.511 6.841 1.00 1.28 H new ATOM 0 HD12 LEU A 49 2.724 -9.846 7.168 1.00 1.28 H new ATOM 0 HD13 LEU A 49 1.406 -10.144 6.009 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.727 -12.598 4.691 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.968 -11.274 3.775 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.659 -11.725 3.451 1.00 0.84 H new ATOM 820 N LYS A 50 0.968 -7.302 5.158 1.00 0.40 N ATOM 821 CA LYS A 50 0.477 -6.060 5.744 1.00 0.40 C ATOM 822 C LYS A 50 1.618 -5.257 6.359 1.00 0.47 C ATOM 823 O LYS A 50 2.001 -5.481 7.507 1.00 0.85 O ATOM 824 CB LYS A 50 -0.577 -6.361 6.809 1.00 0.59 C ATOM 825 CG LYS A 50 -1.841 -7.004 6.254 1.00 0.72 C ATOM 826 CD LYS A 50 -2.613 -7.759 7.327 1.00 1.03 C ATOM 827 CE LYS A 50 -2.787 -6.931 8.594 1.00 0.86 C ATOM 828 NZ LYS A 50 -1.827 -7.335 9.658 1.00 1.30 N ATOM 0 H LYS A 50 0.422 -8.127 5.406 1.00 0.40 H new ATOM 0 HA LYS A 50 0.027 -5.466 4.949 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.144 -7.021 7.560 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -0.844 -5.434 7.316 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.480 -6.234 5.821 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.576 -7.688 5.448 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.593 -8.039 6.940 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.089 -8.684 7.568 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.647 -5.876 8.360 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.806 -7.043 8.963 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -2.298 -7.294 10.584 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -1.498 -8.305 9.479 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -1.013 -6.688 9.655 1.00 1.30 H new ATOM 842 N ALA A 51 2.159 -4.325 5.585 1.00 0.45 N ATOM 843 CA ALA A 51 3.261 -3.492 6.047 1.00 0.63 C ATOM 844 C ALA A 51 2.767 -2.344 6.923 1.00 0.55 C ATOM 845 O ALA A 51 3.375 -2.031 7.946 1.00 0.72 O ATOM 846 CB ALA A 51 4.044 -2.956 4.860 1.00 0.86 C ATOM 0 H ALA A 51 1.852 -4.127 4.633 1.00 0.45 H new ATOM 0 HA ALA A 51 3.918 -4.112 6.657 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.865 -2.335 5.217 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.444 -3.789 4.282 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.385 -2.359 4.229 1.00 0.86 H new ATOM 852 N ASN A 52 1.669 -1.713 6.516 1.00 0.42 N ATOM 853 CA ASN A 52 1.114 -0.596 7.275 1.00 0.43 C ATOM 854 C ASN A 52 0.866 -0.983 8.731 1.00 0.59 C ATOM 855 O ASN A 52 1.417 -0.367 9.645 1.00 1.60 O ATOM 856 CB ASN A 52 -0.177 -0.080 6.630 1.00 0.38 C ATOM 857 CG ASN A 52 -1.161 -1.184 6.303 1.00 0.96 C ATOM 858 OD1 ASN A 52 -0.891 -2.045 5.465 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.312 -1.163 6.965 1.00 0.62 N ATOM 0 H ASN A 52 1.149 -1.953 5.672 1.00 0.42 H new ATOM 0 HA ASN A 52 1.850 0.208 7.260 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.652 0.634 7.303 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.071 0.460 5.716 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.015 -1.880 6.788 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.493 -0.430 7.651 1.00 0.62 H new ATOM 866 N PHE A 53 0.040 -2.007 8.944 1.00 0.81 N ATOM 867 CA PHE A 53 -0.280 -2.483 10.292 1.00 0.82 C ATOM 868 C PHE A 53 -0.454 -1.330 11.282 1.00 0.84 C ATOM 869 O PHE A 53 0.126 -1.345 12.369 1.00 1.20 O ATOM 870 CB PHE A 53 0.814 -3.428 10.794 1.00 0.96 C ATOM 871 CG PHE A 53 0.286 -4.609 11.556 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.903 -4.520 12.263 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.975 -5.812 11.565 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.393 -5.602 12.964 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.489 -6.899 12.265 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.696 -6.795 12.965 1.00 1.96 C ATOM 0 H PHE A 53 -0.422 -2.526 8.197 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.228 -3.017 10.228 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.393 -3.785 9.942 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.499 -2.871 11.433 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.453 -3.591 12.265 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.902 -5.900 11.018 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.320 -5.517 13.511 1.00 1.66 H new ATOM 0 HE2 PHE A 53 1.036 -7.830 12.265 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.078 -7.644 13.512 1.00 1.96 H new ATOM 886 N SER A 54 -1.253 -0.334 10.908 1.00 0.79 N ATOM 887 CA SER A 54 -1.487 0.812 11.781 1.00 0.89 C ATOM 888 C SER A 54 -2.746 1.579 11.382 1.00 0.95 C ATOM 889 O SER A 54 -2.858 2.778 11.641 1.00 1.89 O ATOM 890 CB SER A 54 -0.277 1.746 11.761 1.00 1.00 C ATOM 891 OG SER A 54 -0.365 2.674 10.694 1.00 1.71 O ATOM 0 H SER A 54 -1.745 -0.297 10.015 1.00 0.79 H new ATOM 0 HA SER A 54 -1.635 0.432 12.792 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.212 2.282 12.708 1.00 1.00 H new ATOM 0 HB3 SER A 54 0.637 1.160 11.663 1.00 1.00 H new ATOM 0 HG SER A 54 -1.118 3.282 10.850 1.00 1.71 H new ATOM 897 N ASN A 55 -3.694 0.886 10.758 1.00 0.75 N ATOM 898 CA ASN A 55 -4.944 1.514 10.336 1.00 0.69 C ATOM 899 C ASN A 55 -4.683 2.683 9.387 1.00 0.66 C ATOM 900 O ASN A 55 -4.119 3.702 9.782 1.00 1.05 O ATOM 901 CB ASN A 55 -5.728 1.992 11.565 1.00 0.84 C ATOM 902 CG ASN A 55 -6.924 2.863 11.215 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.583 2.552 10.103 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -7.252 3.805 11.935 1.00 0.83 N flip ATOM 0 H ASN A 55 -3.622 -0.106 10.534 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.535 0.772 9.798 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.072 1.124 12.128 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.059 2.551 12.219 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -6.719 4.010 12.780 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.057 4.381 11.687 1.00 0.83 H new ATOM 911 N ILE A 56 -5.105 2.527 8.135 1.00 0.40 N ATOM 912 CA ILE A 56 -4.927 3.570 7.129 1.00 0.33 C ATOM 913 C ILE A 56 -6.266 4.201 6.759 1.00 0.31 C ATOM 914 O ILE A 56 -6.781 3.989 5.662 1.00 0.53 O ATOM 915 CB ILE A 56 -4.272 3.015 5.851 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.021 2.204 6.195 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.931 4.144 4.893 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.315 1.634 4.984 1.00 0.69 C ATOM 0 H ILE A 56 -5.573 1.688 7.793 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.272 4.324 7.566 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.985 2.352 5.360 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.326 2.839 6.744 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.300 1.387 6.860 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.469 3.733 3.996 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.842 4.677 4.620 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.237 4.833 5.375 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.438 1.072 5.305 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.993 0.972 4.446 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.004 2.447 4.328 1.00 0.69 H new ATOM 930 N LEU A 57 -6.826 4.975 7.682 1.00 0.44 N ATOM 931 CA LEU A 57 -8.108 5.634 7.455 1.00 0.45 C ATOM 932 C LEU A 57 -8.117 6.387 6.127 1.00 0.42 C ATOM 933 O LEU A 57 -8.935 6.106 5.251 1.00 0.60 O ATOM 934 CB LEU A 57 -8.420 6.596 8.602 1.00 0.48 C ATOM 935 CG LEU A 57 -9.468 6.094 9.599 1.00 0.85 C ATOM 936 CD1 LEU A 57 -9.675 7.106 10.714 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.781 5.805 8.891 1.00 0.72 C ATOM 0 H LEU A 57 -6.412 5.162 8.595 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.877 4.863 7.414 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.497 6.805 9.142 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.764 7.541 8.181 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.104 5.167 10.042 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -10.423 6.730 11.412 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -8.734 7.264 11.241 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.016 8.050 10.290 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.514 5.449 9.615 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.149 6.717 8.420 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.623 5.041 8.129 1.00 0.72 H new ATOM 949 N GLU A 58 -7.205 7.344 5.982 1.00 0.39 N ATOM 950 CA GLU A 58 -7.116 8.127 4.762 1.00 0.43 C ATOM 951 C GLU A 58 -6.232 7.423 3.746 1.00 0.51 C ATOM 952 O GLU A 58 -5.415 6.572 4.100 1.00 1.09 O ATOM 953 CB GLU A 58 -6.566 9.523 5.058 1.00 0.44 C ATOM 954 CG GLU A 58 -5.156 9.514 5.627 1.00 0.44 C ATOM 955 CD GLU A 58 -4.927 10.623 6.634 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.796 11.512 6.747 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.876 10.602 7.310 1.00 1.29 O ATOM 0 H GLU A 58 -6.520 7.593 6.695 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.118 8.229 4.346 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.574 10.110 4.140 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.230 10.024 5.762 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.966 8.552 6.102 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.439 9.614 4.812 1.00 0.44 H new ATOM 964 N ASN A 59 -6.403 7.778 2.483 1.00 0.31 N ATOM 965 CA ASN A 59 -5.622 7.175 1.411 1.00 0.28 C ATOM 966 C ASN A 59 -4.157 7.614 1.460 1.00 0.28 C ATOM 967 O ASN A 59 -3.323 7.083 0.728 1.00 0.49 O ATOM 968 CB ASN A 59 -6.227 7.516 0.051 1.00 0.32 C ATOM 969 CG ASN A 59 -6.627 8.977 -0.060 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.194 9.549 0.870 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.337 9.587 -1.202 1.00 0.91 N ATOM 0 H ASN A 59 -7.075 8.480 2.173 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.651 6.095 1.555 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.507 7.280 -0.732 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.102 6.889 -0.121 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.585 10.568 -1.334 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -5.866 9.075 -1.948 1.00 0.91 H new ATOM 978 N GLU A 60 -3.840 8.574 2.329 1.00 0.29 N ATOM 979 CA GLU A 60 -2.470 9.054 2.465 1.00 0.29 C ATOM 980 C GLU A 60 -1.811 8.372 3.650 1.00 0.27 C ATOM 981 O GLU A 60 -2.106 8.688 4.803 1.00 0.35 O ATOM 982 CB GLU A 60 -2.435 10.574 2.647 1.00 0.34 C ATOM 983 CG GLU A 60 -1.032 11.160 2.579 1.00 0.49 C ATOM 984 CD GLU A 60 -1.013 12.661 2.802 1.00 1.26 C ATOM 985 OE1 GLU A 60 -2.004 13.193 3.345 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.006 13.302 2.435 1.00 1.91 O ATOM 0 H GLU A 60 -4.512 9.031 2.946 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.924 8.812 1.553 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -3.052 11.039 1.878 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.880 10.827 3.609 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.404 10.677 3.328 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.596 10.936 1.606 1.00 0.49 H new ATOM 993 N PHE A 61 -0.933 7.423 3.364 1.00 0.24 N ATOM 994 CA PHE A 61 -0.256 6.687 4.422 1.00 0.24 C ATOM 995 C PHE A 61 1.196 6.389 4.062 1.00 0.24 C ATOM 996 O PHE A 61 1.601 6.510 2.905 1.00 0.25 O ATOM 997 CB PHE A 61 -1.015 5.384 4.699 1.00 0.28 C ATOM 998 CG PHE A 61 -0.283 4.434 5.596 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.408 4.534 6.968 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.524 3.440 5.067 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.257 3.664 7.801 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.194 2.564 5.896 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.083 2.673 7.245 1.00 0.48 C ATOM 0 H PHE A 61 -0.674 7.146 2.417 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.247 7.306 5.319 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.978 5.625 5.150 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -1.222 4.887 3.751 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.035 5.304 7.392 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.630 3.350 3.996 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.145 3.742 8.872 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.811 1.787 5.469 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.629 1.999 7.889 1.00 0.48 H new ATOM 1013 N THR A 62 1.973 5.995 5.069 1.00 0.25 N ATOM 1014 CA THR A 62 3.375 5.673 4.871 1.00 0.27 C ATOM 1015 C THR A 62 3.670 4.241 5.283 1.00 0.29 C ATOM 1016 O THR A 62 3.446 3.857 6.430 1.00 0.35 O ATOM 1017 CB THR A 62 4.264 6.644 5.649 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.017 7.980 5.247 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.742 6.372 5.472 1.00 0.37 C ATOM 0 H THR A 62 1.649 5.892 6.031 1.00 0.25 H new ATOM 0 HA THR A 62 3.595 5.773 3.808 1.00 0.27 H new ATOM 0 HB THR A 62 4.009 6.496 6.698 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.834 8.363 4.865 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.317 7.096 6.050 1.00 0.37 H new ATOM 0 HG22 THR A 62 5.971 5.365 5.821 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.004 6.459 4.418 1.00 0.37 H new ATOM 1027 N VAL A 63 4.175 3.451 4.337 1.00 0.31 N ATOM 1028 CA VAL A 63 4.492 2.059 4.606 1.00 0.36 C ATOM 1029 C VAL A 63 5.846 1.913 5.286 1.00 0.38 C ATOM 1030 O VAL A 63 6.890 2.150 4.679 1.00 0.50 O ATOM 1031 CB VAL A 63 4.473 1.229 3.316 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.543 -0.254 3.640 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.227 1.551 2.507 1.00 0.58 C ATOM 0 H VAL A 63 4.371 3.754 3.383 1.00 0.31 H new ATOM 0 HA VAL A 63 3.723 1.684 5.282 1.00 0.36 H new ATOM 0 HB VAL A 63 5.347 1.485 2.717 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.529 -0.830 2.715 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.464 -0.465 4.184 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.687 -0.533 4.254 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.223 0.957 1.593 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.340 1.317 3.096 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.223 2.610 2.251 1.00 0.58 H new ATOM 1043 N SER A 64 5.818 1.517 6.553 1.00 0.49 N ATOM 1044 CA SER A 64 7.037 1.333 7.325 1.00 0.55 C ATOM 1045 C SER A 64 7.448 -0.138 7.333 1.00 0.63 C ATOM 1046 O SER A 64 7.032 -0.911 6.469 1.00 0.99 O ATOM 1047 CB SER A 64 6.835 1.838 8.757 1.00 0.63 C ATOM 1048 OG SER A 64 8.008 1.670 9.534 1.00 1.33 O ATOM 0 H SER A 64 4.960 1.317 7.067 1.00 0.49 H new ATOM 0 HA SER A 64 7.835 1.910 6.859 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.558 2.892 8.737 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.009 1.300 9.221 1.00 0.63 H new ATOM 0 HG SER A 64 7.849 2.003 10.442 1.00 1.33 H new ATOM 1054 N GLY A 65 8.265 -0.518 8.308 1.00 0.71 N ATOM 1055 CA GLY A 65 8.716 -1.895 8.401 1.00 0.78 C ATOM 1056 C GLY A 65 9.503 -2.321 7.179 1.00 0.72 C ATOM 1057 O GLY A 65 9.594 -3.509 6.871 1.00 0.90 O ATOM 0 H GLY A 65 8.623 0.101 9.035 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.335 -2.014 9.290 1.00 0.78 H new ATOM 0 HA3 GLY A 65 7.854 -2.551 8.523 1.00 0.78 H new ATOM 1061 N LEU A 66 10.071 -1.342 6.484 1.00 0.64 N ATOM 1062 CA LEU A 66 10.856 -1.603 5.286 1.00 0.65 C ATOM 1063 C LEU A 66 12.232 -2.151 5.645 1.00 0.59 C ATOM 1064 O LEU A 66 12.630 -2.143 6.810 1.00 0.65 O ATOM 1065 CB LEU A 66 11.004 -0.318 4.470 1.00 0.74 C ATOM 1066 CG LEU A 66 9.863 -0.036 3.494 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.911 1.409 3.028 1.00 0.89 C ATOM 1068 CD2 LEU A 66 9.931 -0.983 2.308 1.00 1.47 C ATOM 0 H LEU A 66 10.001 -0.355 6.733 1.00 0.64 H new ATOM 0 HA LEU A 66 10.334 -2.352 4.690 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.089 0.523 5.158 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.937 -0.367 3.909 1.00 0.74 H new ATOM 0 HG LEU A 66 8.917 -0.201 4.010 1.00 0.89 H new ATOM 0 HD11 LEU A 66 9.092 1.595 2.333 1.00 0.89 H new ATOM 0 HD12 LEU A 66 9.815 2.072 3.888 1.00 0.89 H new ATOM 0 HD13 LEU A 66 10.861 1.599 2.528 1.00 0.89 H new ATOM 0 HD21 LEU A 66 9.111 -0.768 1.623 1.00 1.47 H new ATOM 0 HD22 LEU A 66 10.881 -0.850 1.790 1.00 1.47 H new ATOM 0 HD23 LEU A 66 9.850 -2.012 2.659 1.00 1.47 H new ATOM 1080 N THR A 67 12.956 -2.622 4.636 1.00 0.65 N ATOM 1081 CA THR A 67 14.290 -3.169 4.843 1.00 0.69 C ATOM 1082 C THR A 67 15.259 -2.625 3.801 1.00 0.72 C ATOM 1083 O THR A 67 14.903 -2.458 2.636 1.00 1.06 O ATOM 1084 CB THR A 67 14.259 -4.696 4.782 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.078 -5.197 5.385 1.00 0.96 O ATOM 1086 CG2 THR A 67 15.438 -5.347 5.472 1.00 0.99 C ATOM 0 H THR A 67 12.641 -2.636 3.666 1.00 0.65 H new ATOM 0 HA THR A 67 14.633 -2.865 5.832 1.00 0.69 H new ATOM 0 HB THR A 67 14.298 -4.944 3.721 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.480 -5.547 4.692 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.354 -6.431 5.391 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.363 -5.019 4.999 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.447 -5.061 6.524 1.00 0.99 H new ATOM 1094 N GLU A 68 16.482 -2.344 4.231 1.00 0.66 N ATOM 1095 CA GLU A 68 17.502 -1.813 3.335 1.00 0.67 C ATOM 1096 C GLU A 68 18.050 -2.900 2.417 1.00 0.60 C ATOM 1097 O GLU A 68 18.186 -4.056 2.820 1.00 0.69 O ATOM 1098 CB GLU A 68 18.643 -1.196 4.145 1.00 0.76 C ATOM 1099 CG GLU A 68 18.441 0.274 4.459 1.00 0.96 C ATOM 1100 CD GLU A 68 19.428 0.793 5.487 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.505 0.180 5.639 1.00 1.89 O ATOM 1102 OE2 GLU A 68 19.124 1.814 6.140 1.00 1.91 O ATOM 0 H GLU A 68 16.792 -2.475 5.194 1.00 0.66 H new ATOM 0 HA GLU A 68 17.039 -1.044 2.716 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.753 -1.746 5.079 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.575 -1.316 3.593 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.539 0.854 3.542 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.426 0.427 4.826 1.00 0.96 H new ATOM 1109 N ASP A 69 18.363 -2.519 1.183 1.00 0.52 N ATOM 1110 CA ASP A 69 18.899 -3.458 0.205 1.00 0.49 C ATOM 1111 C ASP A 69 17.847 -4.486 -0.193 1.00 0.44 C ATOM 1112 O ASP A 69 18.148 -5.670 -0.346 1.00 0.54 O ATOM 1113 CB ASP A 69 20.129 -4.166 0.775 1.00 0.59 C ATOM 1114 CG ASP A 69 20.951 -4.859 -0.295 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.757 -4.547 -1.488 1.00 1.66 O ATOM 1116 OD2 ASP A 69 21.789 -5.713 0.062 1.00 1.87 O ATOM 0 H ASP A 69 18.255 -1.566 0.837 1.00 0.52 H new ATOM 0 HA ASP A 69 19.187 -2.897 -0.684 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.754 -3.439 1.294 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.811 -4.900 1.516 1.00 0.59 H new ATOM 1121 N ALA A 70 16.611 -4.028 -0.356 1.00 0.40 N ATOM 1122 CA ALA A 70 15.517 -4.911 -0.732 1.00 0.40 C ATOM 1123 C ALA A 70 14.398 -4.146 -1.424 1.00 0.35 C ATOM 1124 O ALA A 70 13.746 -3.300 -0.814 1.00 0.36 O ATOM 1125 CB ALA A 70 14.968 -5.621 0.494 1.00 0.49 C ATOM 0 H ALA A 70 16.343 -3.051 -0.234 1.00 0.40 H new ATOM 0 HA ALA A 70 15.912 -5.647 -1.432 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.150 -6.278 0.198 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.759 -6.211 0.957 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.601 -4.883 1.208 1.00 0.49 H new ATOM 1131 N ALA A 71 14.168 -4.456 -2.693 1.00 0.33 N ATOM 1132 CA ALA A 71 13.110 -3.801 -3.443 1.00 0.30 C ATOM 1133 C ALA A 71 11.760 -4.216 -2.883 1.00 0.27 C ATOM 1134 O ALA A 71 11.508 -5.402 -2.671 1.00 0.36 O ATOM 1135 CB ALA A 71 13.228 -4.127 -4.922 1.00 0.34 C ATOM 0 H ALA A 71 14.696 -5.152 -3.219 1.00 0.33 H new ATOM 0 HA ALA A 71 13.205 -2.720 -3.341 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.428 -3.629 -5.469 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.192 -3.782 -5.295 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.148 -5.205 -5.065 1.00 0.34 H new ATOM 1141 N TYR A 72 10.903 -3.239 -2.609 1.00 0.24 N ATOM 1142 CA TYR A 72 9.601 -3.534 -2.028 1.00 0.24 C ATOM 1143 C TYR A 72 8.428 -2.978 -2.828 1.00 0.21 C ATOM 1144 O TYR A 72 8.287 -1.766 -2.987 1.00 0.23 O ATOM 1145 CB TYR A 72 9.543 -2.968 -0.615 1.00 0.30 C ATOM 1146 CG TYR A 72 10.320 -3.771 0.396 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.805 -4.948 0.929 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.575 -3.353 0.814 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.527 -5.683 1.852 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.302 -4.079 1.732 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.727 -5.264 2.271 1.00 0.46 C ATOM 1152 OH TYR A 72 12.498 -5.970 3.170 1.00 0.56 O ATOM 0 H TYR A 72 11.083 -2.249 -2.777 1.00 0.24 H new ATOM 0 HA TYR A 72 9.501 -4.619 -2.033 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.927 -1.948 -0.627 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.501 -2.913 -0.298 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.830 -5.292 0.618 1.00 0.49 H new ATOM 0 HD2 TYR A 72 11.990 -2.441 0.412 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.118 -6.605 2.239 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.287 -3.756 2.036 1.00 0.42 H new ATOM 0 HH TYR A 72 13.247 -6.392 2.699 1.00 0.56 H new ATOM 1162 N GLU A 73 7.564 -3.879 -3.287 1.00 0.21 N ATOM 1163 CA GLU A 73 6.366 -3.495 -4.025 1.00 0.21 C ATOM 1164 C GLU A 73 5.181 -3.604 -3.073 1.00 0.23 C ATOM 1165 O GLU A 73 5.130 -4.532 -2.270 1.00 0.32 O ATOM 1166 CB GLU A 73 6.161 -4.402 -5.241 1.00 0.25 C ATOM 1167 CG GLU A 73 6.500 -3.735 -6.563 1.00 0.65 C ATOM 1168 CD GLU A 73 6.725 -4.735 -7.679 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.305 -5.901 -7.524 1.00 1.32 O ATOM 1170 OE2 GLU A 73 7.321 -4.353 -8.708 1.00 1.50 O ATOM 0 H GLU A 73 7.673 -4.885 -3.160 1.00 0.21 H new ATOM 0 HA GLU A 73 6.465 -2.475 -4.395 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.776 -5.294 -5.126 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.123 -4.732 -5.266 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.692 -3.060 -6.843 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.396 -3.126 -6.440 1.00 0.65 H new ATOM 1177 N PHE A 74 4.238 -2.668 -3.120 1.00 0.22 N ATOM 1178 CA PHE A 74 3.105 -2.755 -2.176 1.00 0.28 C ATOM 1179 C PHE A 74 1.729 -2.562 -2.801 1.00 0.25 C ATOM 1180 O PHE A 74 1.428 -1.521 -3.380 1.00 0.30 O ATOM 1181 CB PHE A 74 3.249 -1.765 -1.015 1.00 0.39 C ATOM 1182 CG PHE A 74 4.604 -1.148 -0.886 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.914 0.001 -1.590 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.564 -1.715 -0.064 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.158 0.581 -1.482 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.813 -1.138 0.048 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.110 0.012 -0.663 1.00 0.53 C ATOM 0 H PHE A 74 4.222 -1.875 -3.762 1.00 0.22 H new ATOM 0 HA PHE A 74 3.157 -3.782 -1.816 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.513 -0.971 -1.139 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.009 -2.279 -0.085 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.171 0.449 -2.233 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.334 -2.612 0.492 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.387 1.479 -2.037 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.558 -1.584 0.690 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.087 0.463 -0.576 1.00 0.53 H new ATOM 1197 N ARG A 75 0.892 -3.583 -2.621 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.489 -3.589 -3.102 1.00 0.34 C ATOM 1199 C ARG A 75 -1.407 -3.131 -1.982 1.00 0.31 C ATOM 1200 O ARG A 75 -1.161 -3.455 -0.829 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.876 -5.011 -3.516 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.869 -5.086 -4.661 1.00 0.94 C ATOM 1203 CD ARG A 75 -2.164 -6.531 -5.033 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.081 -7.134 -5.811 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.069 -7.234 -7.143 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.092 -6.763 -7.844 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -0.048 -7.801 -7.779 1.00 2.11 N ATOM 0 H ARG A 75 1.156 -4.438 -2.132 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.583 -2.919 -3.957 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.027 -5.552 -3.799 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -1.298 -5.525 -2.652 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.794 -4.583 -4.378 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.471 -4.558 -5.527 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -2.324 -7.113 -4.125 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -3.089 -6.575 -5.607 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.279 -7.504 -5.300 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.881 -6.328 -7.366 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -2.090 -6.836 -8.861 1.00 1.87 H new ATOM 0 HH21 ARG A 75 0.743 -8.168 -7.249 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -0.055 -7.869 -8.797 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.467 -2.388 -2.290 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.365 -1.951 -1.221 1.00 0.39 C ATOM 1223 C VAL A 76 -4.797 -2.433 -1.427 1.00 0.31 C ATOM 1224 O VAL A 76 -5.459 -2.106 -2.413 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.332 -0.411 -0.958 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.205 0.385 -2.236 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.554 0.061 -0.167 1.00 0.47 C ATOM 0 H VAL A 76 -2.720 -2.085 -3.230 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.973 -2.428 -0.323 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.442 -0.229 -0.356 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.186 1.449 -2.001 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.282 0.110 -2.746 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.055 0.171 -2.884 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.490 1.137 -0.007 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.461 -0.169 -0.726 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.583 -0.448 0.796 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.251 -3.199 -0.446 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.584 -3.744 -0.409 1.00 0.31 C ATOM 1239 C ILE A 77 -7.338 -3.043 0.706 1.00 0.30 C ATOM 1240 O ILE A 77 -6.718 -2.384 1.540 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.566 -5.258 -0.127 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.275 -5.895 -0.663 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.781 -5.898 -0.750 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.285 -7.408 -0.681 1.00 0.42 C ATOM 0 H ILE A 77 -4.684 -3.460 0.361 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.061 -3.589 -1.377 1.00 0.31 H new ATOM 0 HB ILE A 77 -6.592 -5.422 0.950 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -5.099 -5.533 -1.676 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.437 -5.557 -0.053 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.770 -6.970 -0.551 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.683 -5.459 -0.323 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.770 -5.728 -1.827 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.336 -7.773 -1.074 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -5.427 -7.783 0.333 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -6.099 -7.759 -1.315 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.652 -3.161 0.744 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.389 -2.491 1.806 1.00 0.30 C ATOM 1258 C ALA A 78 -10.812 -2.988 1.921 1.00 0.34 C ATOM 1259 O ALA A 78 -11.419 -3.375 0.937 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.382 -0.990 1.573 1.00 0.39 C ATOM 0 H ALA A 78 -9.216 -3.692 0.081 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.888 -2.723 2.746 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.935 -0.495 2.371 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.354 -0.628 1.565 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.852 -0.768 0.615 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.347 -2.961 3.132 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.713 -3.397 3.351 1.00 0.43 C ATOM 1268 C LYS A 79 -13.636 -2.195 3.419 1.00 0.59 C ATOM 1269 O LYS A 79 -13.204 -1.056 3.247 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.841 -4.218 4.631 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.236 -5.607 4.538 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.275 -6.677 4.833 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.709 -7.771 5.723 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.575 -8.032 6.906 1.00 1.98 N ATOM 0 H LYS A 79 -10.859 -2.644 3.970 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.998 -4.032 2.512 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.360 -3.678 5.446 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.896 -4.309 4.888 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.823 -5.761 3.541 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.409 -5.695 5.242 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.139 -6.223 5.318 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.626 -7.113 3.898 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.599 -8.688 5.145 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.712 -7.485 6.059 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.153 -8.785 7.486 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -13.659 -7.164 7.473 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.519 -8.330 6.586 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.907 -2.453 3.665 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.886 -1.390 3.747 1.00 0.70 C ATOM 1290 C ASN A 80 -16.822 -1.603 4.930 1.00 0.87 C ATOM 1291 O ASN A 80 -16.861 -2.680 5.521 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.695 -1.345 2.452 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.231 -2.710 2.071 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.471 -3.602 1.702 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.543 -2.883 2.168 1.00 2.05 N ATOM 0 H ASN A 80 -15.284 -3.390 3.811 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.363 -0.445 3.890 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.525 -0.648 2.567 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.068 -0.963 1.646 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.957 -3.785 1.932 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -19.137 -2.114 2.479 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.574 -0.565 5.263 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.524 -0.609 6.368 1.00 0.82 C ATOM 1304 C ALA A 81 -19.294 -1.934 6.427 1.00 0.88 C ATOM 1305 O ALA A 81 -19.722 -2.357 7.502 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.499 0.552 6.235 1.00 0.83 C ATOM 0 H ALA A 81 -17.544 0.331 4.777 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.959 -0.527 7.296 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.212 0.524 7.059 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.950 1.493 6.262 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.034 0.471 5.289 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.479 -2.578 5.276 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.214 -3.841 5.220 1.00 0.90 C ATOM 1314 C ALA A 82 -19.311 -5.057 5.423 1.00 0.88 C ATOM 1315 O ALA A 82 -19.789 -6.138 5.767 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.955 -3.958 3.897 1.00 0.94 C ATOM 0 H ALA A 82 -19.133 -2.249 4.375 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.928 -3.830 6.043 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.499 -4.902 3.867 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.658 -3.131 3.800 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.240 -3.925 3.075 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.012 -4.886 5.206 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.088 -5.993 5.368 1.00 0.86 C ATOM 1324 C GLY A 83 -16.730 -6.653 4.047 1.00 0.78 C ATOM 1325 O GLY A 83 -15.937 -7.594 4.013 1.00 0.93 O ATOM 0 H GLY A 83 -17.584 -4.005 4.922 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.178 -5.635 5.849 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.529 -6.735 6.033 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.312 -6.157 2.956 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.044 -6.702 1.632 1.00 0.78 C ATOM 1331 C ALA A 84 -15.664 -6.275 1.155 1.00 0.76 C ATOM 1332 O ALA A 84 -15.530 -5.360 0.350 1.00 1.38 O ATOM 1333 CB ALA A 84 -18.109 -6.242 0.652 1.00 0.92 C ATOM 0 H ALA A 84 -17.971 -5.379 2.966 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.069 -7.790 1.689 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.899 -6.655 -0.334 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -19.087 -6.587 0.989 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -18.107 -5.153 0.597 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.642 -6.941 1.674 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.254 -6.638 1.331 1.00 0.40 C ATOM 1341 C ILE A 85 -13.068 -6.234 -0.127 1.00 0.38 C ATOM 1342 O ILE A 85 -13.024 -7.078 -1.022 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.328 -7.828 1.634 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.866 -7.439 1.391 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.715 -9.026 0.782 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.040 -7.370 2.658 1.00 0.79 C ATOM 0 H ILE A 85 -14.748 -7.704 2.342 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.986 -5.786 1.955 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.440 -8.102 2.683 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.414 -8.162 0.711 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.834 -6.470 0.893 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.052 -9.861 1.006 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.744 -9.311 1.001 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.627 -8.766 -0.273 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.016 -7.089 2.410 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.467 -6.627 3.331 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.041 -8.344 3.146 1.00 0.79 H new ATOM 1358 N SER A 86 -12.936 -4.932 -0.349 1.00 0.39 N ATOM 1359 CA SER A 86 -12.724 -4.409 -1.692 1.00 0.45 C ATOM 1360 C SER A 86 -11.396 -4.939 -2.241 1.00 0.44 C ATOM 1361 O SER A 86 -10.328 -4.662 -1.672 1.00 0.43 O ATOM 1362 CB SER A 86 -12.735 -2.870 -1.692 1.00 0.54 C ATOM 1363 OG SER A 86 -11.523 -2.329 -1.199 1.00 0.59 O ATOM 0 H SER A 86 -12.972 -4.221 0.382 1.00 0.39 H new ATOM 0 HA SER A 86 -13.538 -4.745 -2.334 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.907 -2.509 -2.706 1.00 0.54 H new ATOM 0 HB3 SER A 86 -13.565 -2.514 -1.082 1.00 0.54 H new ATOM 0 HG SER A 86 -11.150 -2.928 -0.519 1.00 0.59 H new ATOM 1369 N PRO A 87 -11.442 -5.717 -3.346 1.00 0.52 N ATOM 1370 CA PRO A 87 -10.255 -6.301 -3.968 1.00 0.61 C ATOM 1371 C PRO A 87 -9.026 -5.399 -3.894 1.00 0.54 C ATOM 1372 O PRO A 87 -9.139 -4.185 -3.735 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.703 -6.497 -5.412 1.00 0.85 C ATOM 1374 CG PRO A 87 -12.158 -6.809 -5.308 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.668 -6.101 -4.075 1.00 0.59 C ATOM 0 HA PRO A 87 -9.936 -7.215 -3.466 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -10.530 -5.600 -6.007 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.156 -7.308 -5.892 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.691 -6.470 -6.197 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.318 -7.884 -5.231 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -13.267 -5.228 -4.336 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -13.301 -6.754 -3.474 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.825 -5.997 -4.005 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.553 -5.265 -3.945 1.00 0.56 C ATOM 1385 C PRO A 88 -6.417 -4.196 -5.019 1.00 0.48 C ATOM 1386 O PRO A 88 -7.194 -4.144 -5.971 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.492 -6.346 -4.180 1.00 0.69 C ATOM 1388 CG PRO A 88 -6.228 -7.500 -4.768 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.609 -7.443 -4.189 1.00 0.72 C ATOM 0 HA PRO A 88 -6.464 -4.737 -2.996 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.713 -5.992 -4.855 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -5.003 -6.626 -3.247 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -6.257 -7.432 -5.855 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.739 -8.442 -4.521 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -8.348 -7.880 -4.861 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.675 -7.985 -3.246 1.00 0.72 H new ATOM 1397 N SER A 89 -5.400 -3.355 -4.852 1.00 0.43 N ATOM 1398 CA SER A 89 -5.111 -2.286 -5.797 1.00 0.42 C ATOM 1399 C SER A 89 -3.669 -2.406 -6.285 1.00 0.35 C ATOM 1400 O SER A 89 -2.750 -2.536 -5.471 1.00 0.51 O ATOM 1401 CB SER A 89 -5.338 -0.921 -5.146 1.00 0.56 C ATOM 1402 OG SER A 89 -6.640 -0.830 -4.595 1.00 1.28 O ATOM 0 H SER A 89 -4.757 -3.397 -4.061 1.00 0.43 H new ATOM 0 HA SER A 89 -5.785 -2.376 -6.649 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.596 -0.760 -4.364 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.197 -0.133 -5.886 1.00 0.56 H new ATOM 0 HG SER A 89 -6.649 -1.243 -3.706 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.493 -2.373 -7.616 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.172 -2.486 -8.272 1.00 0.37 C ATOM 1410 C GLU A 90 -1.022 -2.039 -7.362 1.00 0.34 C ATOM 1411 O GLU A 90 -0.979 -0.891 -6.935 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.157 -1.655 -9.556 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.595 -2.430 -10.789 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.637 -2.264 -11.953 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.489 -1.124 -12.442 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -1.037 -3.274 -12.377 1.00 1.76 O ATOM 0 H GLU A 90 -4.265 -2.267 -8.274 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.018 -3.541 -8.501 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.811 -0.793 -9.428 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.150 -1.270 -9.718 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.677 -3.488 -10.539 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.588 -2.096 -11.090 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.080 -2.947 -7.041 1.00 0.30 N ATOM 1424 CA PRO A 91 1.051 -2.628 -6.165 1.00 0.29 C ATOM 1425 C PRO A 91 1.883 -1.440 -6.626 1.00 0.31 C ATOM 1426 O PRO A 91 1.939 -1.119 -7.812 1.00 0.55 O ATOM 1427 CB PRO A 91 1.901 -3.895 -6.189 1.00 0.36 C ATOM 1428 CG PRO A 91 0.956 -4.986 -6.549 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.044 -4.355 -7.484 1.00 0.39 C ATOM 0 HA PRO A 91 0.693 -2.340 -5.177 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.708 -3.815 -6.918 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.364 -4.078 -5.219 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.476 -5.814 -7.030 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.466 -5.390 -5.663 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.268 -4.442 -8.525 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.023 -4.827 -7.404 1.00 0.39 H new ATOM 1437 N SER A 92 2.544 -0.806 -5.661 1.00 0.27 N ATOM 1438 CA SER A 92 3.402 0.334 -5.929 1.00 0.31 C ATOM 1439 C SER A 92 4.778 -0.164 -6.331 1.00 0.27 C ATOM 1440 O SER A 92 5.235 -1.200 -5.836 1.00 0.24 O ATOM 1441 CB SER A 92 3.502 1.239 -4.691 1.00 0.39 C ATOM 1442 OG SER A 92 4.843 1.612 -4.413 1.00 1.23 O ATOM 0 H SER A 92 2.497 -1.070 -4.677 1.00 0.27 H new ATOM 0 HA SER A 92 2.975 0.922 -6.742 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.901 2.135 -4.847 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.083 0.721 -3.828 1.00 0.39 H new ATOM 0 HG SER A 92 5.129 1.200 -3.571 1.00 1.23 H new ATOM 1448 N ASP A 93 5.432 0.578 -7.224 1.00 0.33 N ATOM 1449 CA ASP A 93 6.763 0.222 -7.709 1.00 0.36 C ATOM 1450 C ASP A 93 7.642 -0.306 -6.584 1.00 0.32 C ATOM 1451 O ASP A 93 7.527 0.117 -5.434 1.00 0.56 O ATOM 1452 CB ASP A 93 7.429 1.429 -8.369 1.00 0.45 C ATOM 1453 CG ASP A 93 6.857 1.730 -9.740 1.00 0.89 C ATOM 1454 OD1 ASP A 93 7.187 0.995 -10.696 1.00 1.63 O ATOM 1455 OD2 ASP A 93 6.079 2.700 -9.859 1.00 1.55 O ATOM 0 H ASP A 93 5.057 1.436 -7.628 1.00 0.33 H new ATOM 0 HA ASP A 93 6.645 -0.571 -8.447 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.307 2.302 -7.728 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.500 1.246 -8.458 1.00 0.45 H new ATOM 1460 N ALA A 94 8.517 -1.237 -6.927 1.00 0.33 N ATOM 1461 CA ALA A 94 9.414 -1.832 -5.953 1.00 0.28 C ATOM 1462 C ALA A 94 10.552 -0.874 -5.613 1.00 0.29 C ATOM 1463 O ALA A 94 11.291 -0.439 -6.496 1.00 0.41 O ATOM 1464 CB ALA A 94 9.964 -3.146 -6.482 1.00 0.34 C ATOM 0 H ALA A 94 8.624 -1.597 -7.875 1.00 0.33 H new ATOM 0 HA ALA A 94 8.852 -2.030 -5.040 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.636 -3.583 -5.743 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.141 -3.833 -6.676 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.511 -2.965 -7.407 1.00 0.34 H new ATOM 1470 N ILE A 95 10.680 -0.540 -4.334 1.00 0.25 N ATOM 1471 CA ILE A 95 11.724 0.376 -3.885 1.00 0.28 C ATOM 1472 C ILE A 95 12.885 -0.370 -3.234 1.00 0.26 C ATOM 1473 O ILE A 95 12.753 -0.904 -2.132 1.00 0.25 O ATOM 1474 CB ILE A 95 11.161 1.406 -2.888 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.912 2.069 -3.468 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.212 2.451 -2.551 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.617 1.454 -2.984 1.00 0.44 C ATOM 0 H ILE A 95 10.075 -0.889 -3.590 1.00 0.25 H new ATOM 0 HA ILE A 95 12.094 0.893 -4.770 1.00 0.28 H new ATOM 0 HB ILE A 95 10.887 0.889 -1.968 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.920 3.128 -3.209 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.950 2.006 -4.556 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.797 3.170 -1.845 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.079 1.964 -2.105 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.515 2.969 -3.461 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.774 1.976 -3.438 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.586 0.402 -3.266 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.556 1.541 -1.899 1.00 0.44 H new ATOM 1489 N THR A 96 14.024 -0.404 -3.926 1.00 0.29 N ATOM 1490 CA THR A 96 15.215 -1.086 -3.422 1.00 0.32 C ATOM 1491 C THR A 96 15.502 -0.693 -1.977 1.00 0.32 C ATOM 1492 O THR A 96 15.948 -1.515 -1.176 1.00 0.38 O ATOM 1493 CB THR A 96 16.422 -0.761 -4.302 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.227 -1.240 -5.621 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.715 -1.355 -3.785 1.00 0.43 C ATOM 0 H THR A 96 14.146 0.034 -4.839 1.00 0.29 H new ATOM 0 HA THR A 96 15.028 -2.159 -3.453 1.00 0.32 H new ATOM 0 HB THR A 96 16.506 0.326 -4.286 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.010 -1.020 -6.168 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.532 -1.087 -4.455 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.921 -0.966 -2.788 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.624 -2.440 -3.739 1.00 0.43 H new ATOM 1503 N CYS A 97 15.241 0.567 -1.651 1.00 0.32 N ATOM 1504 CA CYS A 97 15.466 1.071 -0.301 1.00 0.36 C ATOM 1505 C CYS A 97 16.875 0.731 0.188 1.00 0.43 C ATOM 1506 O CYS A 97 17.131 -0.382 0.646 1.00 0.64 O ATOM 1507 CB CYS A 97 14.424 0.490 0.658 1.00 0.38 C ATOM 1508 SG CYS A 97 12.819 1.321 0.597 1.00 1.10 S ATOM 0 H CYS A 97 14.873 1.259 -2.303 1.00 0.32 H new ATOM 0 HA CYS A 97 15.367 2.156 -0.325 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.283 -0.566 0.428 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.811 0.546 1.675 1.00 0.38 H new ATOM 0 HG CYS A 97 12.789 2.273 1.482 1.00 1.10 H new ATOM 1514 N ARG A 98 17.780 1.701 0.089 1.00 0.53 N ATOM 1515 CA ARG A 98 19.166 1.512 0.525 1.00 0.63 C ATOM 1516 C ARG A 98 19.591 2.640 1.458 1.00 0.80 C ATOM 1517 O ARG A 98 19.732 2.447 2.665 1.00 1.04 O ATOM 1518 CB ARG A 98 20.130 1.435 -0.671 1.00 0.68 C ATOM 1519 CG ARG A 98 19.458 1.296 -2.026 1.00 0.74 C ATOM 1520 CD ARG A 98 19.254 2.647 -2.685 1.00 0.92 C ATOM 1521 NE ARG A 98 17.912 2.770 -3.234 1.00 1.64 N ATOM 1522 CZ ARG A 98 17.344 3.932 -3.541 1.00 2.31 C ATOM 1523 NH1 ARG A 98 18.004 5.065 -3.350 1.00 2.68 N ATOM 1524 NH2 ARG A 98 16.117 3.961 -4.042 1.00 3.00 N ATOM 0 H ARG A 98 17.581 2.627 -0.289 1.00 0.53 H new ATOM 0 HA ARG A 98 19.213 0.564 1.061 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.749 2.332 -0.679 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.800 0.588 -0.525 1.00 0.68 H new ATOM 0 HG2 ARG A 98 20.066 0.663 -2.672 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.495 0.799 -1.907 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.425 3.439 -1.956 1.00 0.92 H new ATOM 0 HD3 ARG A 98 19.988 2.781 -3.480 1.00 0.92 H new ATOM 0 HE ARG A 98 17.377 1.916 -3.392 1.00 1.64 H new ATOM 0 HH11 ARG A 98 18.949 5.046 -2.967 1.00 2.68 H new ATOM 0 HH12 ARG A 98 17.567 5.956 -3.586 1.00 2.68 H new ATOM 0 HH21 ARG A 98 15.607 3.091 -4.193 1.00 3.00 H new ATOM 0 HH22 ARG A 98 15.683 4.854 -4.277 1.00 3.00 H new ATOM 1538 N ASP A 99 19.787 3.814 0.887 1.00 0.92 N ATOM 1539 CA ASP A 99 20.190 4.987 1.659 1.00 1.20 C ATOM 1540 C ASP A 99 19.500 6.259 1.159 1.00 1.03 C ATOM 1541 O ASP A 99 19.872 7.362 1.557 1.00 1.20 O ATOM 1542 CB ASP A 99 21.708 5.168 1.598 1.00 1.61 C ATOM 1543 CG ASP A 99 22.211 5.357 0.179 1.00 1.71 C ATOM 1544 OD1 ASP A 99 22.382 4.342 -0.530 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.433 6.517 -0.224 1.00 2.14 O ATOM 0 H ASP A 99 19.675 3.986 -0.112 1.00 0.92 H new ATOM 0 HA ASP A 99 19.884 4.818 2.691 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.993 6.031 2.200 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.193 4.298 2.040 1.00 1.61 H new ATOM 1550 N ASP A 100 18.497 6.102 0.285 1.00 0.85 N ATOM 1551 CA ASP A 100 17.757 7.239 -0.274 1.00 0.92 C ATOM 1552 C ASP A 100 18.678 8.417 -0.572 1.00 1.22 C ATOM 1553 O ASP A 100 18.276 9.576 -0.482 1.00 1.38 O ATOM 1554 CB ASP A 100 16.644 7.674 0.678 1.00 0.87 C ATOM 1555 CG ASP A 100 15.365 8.024 -0.057 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.251 7.670 -1.249 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.478 8.653 0.559 1.00 2.06 O ATOM 0 H ASP A 100 18.179 5.193 -0.051 1.00 0.85 H new ATOM 0 HA ASP A 100 17.315 6.910 -1.215 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.444 6.873 1.390 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.978 8.537 1.254 1.00 0.87 H new