USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 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 180:sc= 0 USER MOD Set 1.2: A 72 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0.34 USER MOD Set 2.2: A 55 ASN : amide:sc= -3.25! K(o=-2.9!,f=0.2) USER MOD Set 3.1: A 19 THR OG1 : rot -103:sc= 0.484 USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0.796 USER MOD Set 4.1: A 12 ASN : amide:sc= -0.669 K(o=-0.57,f=0.047) USER MOD Set 4.2: A 14 THR OG1 : rot 109:sc= 0.161 USER MOD Set 4.3: A 17 THR OG1 : rot 180:sc= -0.0646 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -4.11! K(o=-4.1!,f=-3.2) USER MOD Single : A 21 LYS NZ :NH3+ -136:sc= 0.409 (180deg=-0.329) 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 91:sc= 0.753 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 36 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.84! C(o=-2.8!,f=-15!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.538 USER MOD Single : A 59 ASN : amide:sc= -2.22! C(o=-2.2!,f=-11!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0064 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -10.2! C(o=-10!,f=-10!) USER MOD Single : A 86 SER OG : rot -124:sc= 0.454 USER MOD Single : A 89 SER OG : rot -150:sc= 0.557 USER MOD Single : A 92 SER OG : rot 62:sc= -1.15 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 180:sc= -0.245 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -19.006 -2.914 -5.299 1.00 0.68 N ATOM 27 CA ILE A 2 -17.872 -2.425 -4.529 1.00 0.61 C ATOM 28 C ILE A 2 -16.712 -2.014 -5.430 1.00 0.57 C ATOM 29 O ILE A 2 -16.421 -2.673 -6.429 1.00 0.63 O ATOM 30 CB ILE A 2 -17.384 -3.478 -3.512 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.447 -2.826 -2.494 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.696 -4.640 -4.220 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.782 -3.811 -1.554 1.00 0.56 C ATOM 0 HA ILE A 2 -18.221 -1.546 -3.988 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.248 -3.879 -2.983 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.676 -2.271 -3.028 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -17.012 -2.102 -1.906 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.361 -5.369 -3.482 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.397 -5.115 -4.906 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.837 -4.268 -4.779 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -15.134 -3.273 -0.863 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.545 -4.349 -0.992 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.188 -4.520 -2.131 1.00 0.56 H new ATOM 45 N ASP A 3 -16.053 -0.924 -5.062 1.00 0.55 N ATOM 46 CA ASP A 3 -14.918 -0.420 -5.827 1.00 0.54 C ATOM 47 C ASP A 3 -13.760 -0.068 -4.895 1.00 0.47 C ATOM 48 O ASP A 3 -13.872 0.850 -4.084 1.00 0.49 O ATOM 49 CB ASP A 3 -15.331 0.813 -6.631 1.00 0.61 C ATOM 50 CG ASP A 3 -16.647 1.398 -6.159 1.00 1.15 C ATOM 51 OD1 ASP A 3 -17.706 0.866 -6.549 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.617 2.388 -5.398 1.00 2.00 O ATOM 0 H ASP A 3 -16.284 -0.370 -4.237 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.590 -1.200 -6.514 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.551 1.571 -6.554 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -15.413 0.545 -7.684 1.00 0.61 H new ATOM 57 N PRO A 4 -12.626 -0.788 -4.991 1.00 0.44 N ATOM 58 CA PRO A 4 -11.465 -0.524 -4.139 1.00 0.41 C ATOM 59 C PRO A 4 -10.795 0.801 -4.477 1.00 0.38 C ATOM 60 O PRO A 4 -11.138 1.449 -5.466 1.00 0.43 O ATOM 61 CB PRO A 4 -10.523 -1.693 -4.431 1.00 0.45 C ATOM 62 CG PRO A 4 -10.894 -2.131 -5.806 1.00 0.50 C ATOM 63 CD PRO A 4 -12.379 -1.905 -5.922 1.00 0.50 C ATOM 0 HA PRO A 4 -11.743 -0.445 -3.088 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.479 -1.385 -4.380 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.653 -2.499 -3.708 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.351 -1.559 -6.558 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.645 -3.180 -5.963 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.669 -1.650 -6.942 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.944 -2.794 -5.643 1.00 0.50 H new ATOM 71 N PRO A 5 -9.829 1.223 -3.651 1.00 0.37 N ATOM 72 CA PRO A 5 -9.106 2.483 -3.851 1.00 0.39 C ATOM 73 C PRO A 5 -8.378 2.541 -5.193 1.00 0.38 C ATOM 74 O PRO A 5 -8.427 1.595 -5.980 1.00 0.47 O ATOM 75 CB PRO A 5 -8.107 2.509 -2.689 1.00 0.46 C ATOM 76 CG PRO A 5 -8.687 1.592 -1.671 1.00 0.71 C ATOM 77 CD PRO A 5 -9.368 0.511 -2.448 1.00 0.43 C ATOM 0 HA PRO A 5 -9.782 3.338 -3.868 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.120 2.173 -3.008 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.988 3.517 -2.292 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.911 1.182 -1.025 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.393 2.117 -1.027 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.686 -0.302 -2.695 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.198 0.074 -1.893 1.00 0.43 H new ATOM 85 N GLY A 6 -7.712 3.664 -5.446 1.00 0.37 N ATOM 86 CA GLY A 6 -6.987 3.842 -6.693 1.00 0.39 C ATOM 87 C GLY A 6 -5.570 3.301 -6.639 1.00 0.42 C ATOM 88 O GLY A 6 -5.084 2.922 -5.573 1.00 0.66 O ATOM 0 H GLY A 6 -7.661 4.457 -4.807 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.530 3.344 -7.496 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.955 4.903 -6.940 1.00 0.39 H new ATOM 92 N LYS A 7 -4.907 3.269 -7.793 1.00 0.41 N ATOM 93 CA LYS A 7 -3.535 2.777 -7.878 1.00 0.44 C ATOM 94 C LYS A 7 -2.616 3.611 -6.987 1.00 0.37 C ATOM 95 O LYS A 7 -2.574 4.835 -7.114 1.00 0.42 O ATOM 96 CB LYS A 7 -3.045 2.828 -9.325 1.00 0.54 C ATOM 97 CG LYS A 7 -1.678 2.196 -9.527 1.00 0.64 C ATOM 98 CD LYS A 7 -0.681 3.190 -10.101 1.00 1.01 C ATOM 99 CE LYS A 7 0.613 2.503 -10.509 1.00 0.95 C ATOM 100 NZ LYS A 7 1.532 3.429 -11.226 1.00 1.52 N ATOM 0 H LYS A 7 -5.299 3.578 -8.683 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.515 1.743 -7.534 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.769 2.320 -9.963 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -3.007 3.868 -9.651 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.307 1.817 -8.575 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.767 1.341 -10.197 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.119 3.689 -10.966 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.468 3.962 -9.362 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.111 2.112 -9.622 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.385 1.650 -11.149 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.402 2.922 -11.487 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.067 3.783 -12.086 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.770 4.230 -10.607 1.00 1.52 H new ATOM 114 N PRO A 8 -1.869 2.975 -6.063 1.00 0.34 N ATOM 115 CA PRO A 8 -0.964 3.691 -5.151 1.00 0.32 C ATOM 116 C PRO A 8 0.272 4.244 -5.850 1.00 0.33 C ATOM 117 O PRO A 8 0.818 3.621 -6.761 1.00 0.44 O ATOM 118 CB PRO A 8 -0.565 2.614 -4.127 1.00 0.39 C ATOM 119 CG PRO A 8 -1.554 1.520 -4.331 1.00 0.44 C ATOM 120 CD PRO A 8 -1.833 1.527 -5.801 1.00 0.41 C ATOM 0 HA PRO A 8 -1.447 4.565 -4.713 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.454 2.264 -4.295 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.605 3.000 -3.109 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.153 0.559 -4.009 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.463 1.695 -3.755 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.054 1.022 -6.373 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.776 1.038 -6.046 1.00 0.41 H new ATOM 128 N VAL A 9 0.709 5.421 -5.408 1.00 0.34 N ATOM 129 CA VAL A 9 1.883 6.072 -5.978 1.00 0.38 C ATOM 130 C VAL A 9 2.746 6.682 -4.875 1.00 0.34 C ATOM 131 O VAL A 9 2.386 7.708 -4.296 1.00 0.35 O ATOM 132 CB VAL A 9 1.492 7.181 -6.974 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.650 7.491 -7.910 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.251 6.788 -7.764 1.00 1.09 C ATOM 0 H VAL A 9 0.265 5.944 -4.654 1.00 0.34 H new ATOM 0 HA VAL A 9 2.446 5.305 -6.510 1.00 0.38 H new ATOM 0 HB VAL A 9 1.259 8.082 -6.406 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.355 8.276 -8.606 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.509 7.826 -7.328 1.00 0.53 H new ATOM 0 HG13 VAL A 9 2.917 6.593 -8.468 1.00 0.53 H new ATOM 0 HG21 VAL A 9 -0.005 7.587 -8.460 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.449 5.872 -8.320 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.580 6.624 -7.078 1.00 1.09 H new ATOM 144 N PRO A 10 3.893 6.053 -4.555 1.00 0.34 N ATOM 145 CA PRO A 10 4.783 6.541 -3.507 1.00 0.32 C ATOM 146 C PRO A 10 5.202 7.994 -3.688 1.00 0.37 C ATOM 147 O PRO A 10 5.687 8.390 -4.748 1.00 0.64 O ATOM 148 CB PRO A 10 6.005 5.635 -3.592 1.00 0.38 C ATOM 149 CG PRO A 10 5.544 4.406 -4.295 1.00 0.39 C ATOM 150 CD PRO A 10 4.393 4.815 -5.174 1.00 0.42 C ATOM 0 HA PRO A 10 4.278 6.514 -2.541 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.814 6.119 -4.139 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.388 5.399 -2.599 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.350 3.975 -4.889 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.233 3.645 -3.580 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.716 4.985 -6.201 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.622 4.045 -5.206 1.00 0.42 H new ATOM 158 N LEU A 11 5.030 8.780 -2.629 1.00 0.34 N ATOM 159 CA LEU A 11 5.407 10.186 -2.648 1.00 0.43 C ATOM 160 C LEU A 11 6.797 10.348 -2.051 1.00 0.43 C ATOM 161 O LEU A 11 7.523 11.287 -2.378 1.00 0.57 O ATOM 162 CB LEU A 11 4.410 11.038 -1.854 1.00 0.56 C ATOM 163 CG LEU A 11 2.944 10.885 -2.264 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.810 10.845 -3.779 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.352 9.635 -1.636 1.00 1.12 C ATOM 0 H LEU A 11 4.631 8.464 -1.745 1.00 0.34 H new ATOM 0 HA LEU A 11 5.402 10.526 -3.683 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.503 10.785 -0.798 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.691 12.086 -1.957 1.00 0.56 H new ATOM 0 HG LEU A 11 2.389 11.750 -1.901 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.760 10.736 -4.049 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.199 11.771 -4.203 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.375 10.000 -4.172 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.308 9.537 -1.935 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.909 8.760 -1.971 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.413 9.710 -0.550 1.00 1.12 H new ATOM 177 N ASN A 12 7.161 9.416 -1.171 1.00 0.34 N ATOM 178 CA ASN A 12 8.467 9.450 -0.526 1.00 0.36 C ATOM 179 C ASN A 12 8.907 8.047 -0.142 1.00 0.37 C ATOM 180 O ASN A 12 8.078 7.175 0.098 1.00 0.58 O ATOM 181 CB ASN A 12 8.427 10.343 0.715 1.00 0.42 C ATOM 182 CG ASN A 12 9.797 10.872 1.093 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.130 12.022 0.808 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.603 10.033 1.736 1.00 0.71 N ATOM 0 H ASN A 12 6.571 8.633 -0.891 1.00 0.34 H new ATOM 0 HA ASN A 12 9.187 9.863 -1.233 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.754 11.181 0.534 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.015 9.779 1.552 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.537 10.335 2.013 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.287 9.088 1.953 1.00 0.71 H new ATOM 191 N ILE A 13 10.212 7.835 -0.085 1.00 0.38 N ATOM 192 CA ILE A 13 10.760 6.536 0.271 1.00 0.43 C ATOM 193 C ILE A 13 12.113 6.702 0.952 1.00 0.53 C ATOM 194 O ILE A 13 13.090 7.118 0.327 1.00 0.75 O ATOM 195 CB ILE A 13 10.899 5.630 -0.967 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.461 6.426 -2.157 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.551 4.999 -1.310 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.419 7.202 -2.946 1.00 0.96 C ATOM 0 H ILE A 13 10.914 8.549 -0.281 1.00 0.38 H new ATOM 0 HA ILE A 13 10.067 6.059 0.964 1.00 0.43 H new ATOM 0 HB ILE A 13 11.602 4.828 -0.742 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.213 7.124 -1.788 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.969 5.737 -2.831 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.661 4.361 -2.187 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.204 4.401 -0.467 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.825 5.784 -1.521 1.00 0.53 H new ATOM 0 HD11 ILE A 13 10.904 7.733 -3.765 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.679 6.511 -3.349 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.926 7.920 -2.290 1.00 0.96 H new ATOM 210 N THR A 14 12.159 6.398 2.246 1.00 0.59 N ATOM 211 CA THR A 14 13.386 6.539 3.022 1.00 0.71 C ATOM 212 C THR A 14 14.000 5.197 3.408 1.00 0.79 C ATOM 213 O THR A 14 14.012 4.841 4.588 1.00 1.46 O ATOM 214 CB THR A 14 13.100 7.340 4.287 1.00 0.75 C ATOM 215 OG1 THR A 14 11.954 8.156 4.115 1.00 0.69 O ATOM 216 CG2 THR A 14 14.245 8.237 4.698 1.00 0.94 C ATOM 0 H THR A 14 11.361 6.053 2.779 1.00 0.59 H new ATOM 0 HA THR A 14 14.106 7.057 2.389 1.00 0.71 H new ATOM 0 HB THR A 14 12.943 6.598 5.070 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.215 7.800 4.652 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.976 8.778 5.605 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.132 7.632 4.886 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.454 8.949 3.899 1.00 0.94 H new ATOM 224 N ARG A 15 14.517 4.475 2.405 1.00 0.66 N ATOM 225 CA ARG A 15 15.170 3.162 2.590 1.00 0.67 C ATOM 226 C ARG A 15 14.644 2.396 3.799 1.00 0.71 C ATOM 227 O ARG A 15 15.399 1.697 4.471 1.00 1.19 O ATOM 228 CB ARG A 15 16.680 3.341 2.749 1.00 0.80 C ATOM 229 CG ARG A 15 17.262 4.477 1.931 1.00 0.96 C ATOM 230 CD ARG A 15 18.004 5.473 2.811 1.00 1.13 C ATOM 231 NE ARG A 15 19.438 5.486 2.530 1.00 1.43 N ATOM 232 CZ ARG A 15 20.358 5.901 3.398 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.991 6.336 4.596 1.00 1.90 N ATOM 234 NH2 ARG A 15 21.642 5.883 3.070 1.00 2.42 N ATOM 0 H ARG A 15 14.496 4.784 1.433 1.00 0.66 H new ATOM 0 HA ARG A 15 14.938 2.580 1.698 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.905 3.514 3.801 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.176 2.413 2.465 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.943 4.075 1.180 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.462 4.988 1.395 1.00 0.96 H new ATOM 0 HD2 ARG A 15 17.594 6.471 2.655 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.842 5.222 3.859 1.00 1.13 H new ATOM 0 HE ARG A 15 19.752 5.158 1.617 1.00 1.43 H new ATOM 0 HH11 ARG A 15 19.004 6.353 4.852 1.00 1.90 H new ATOM 0 HH12 ARG A 15 20.696 6.654 5.261 1.00 1.90 H new ATOM 0 HH21 ARG A 15 21.929 5.550 2.149 1.00 2.42 H new ATOM 0 HH22 ARG A 15 22.344 6.202 3.738 1.00 2.42 H new ATOM 248 N HIS A 16 13.365 2.538 4.075 1.00 0.50 N ATOM 249 CA HIS A 16 12.751 1.871 5.211 1.00 0.54 C ATOM 250 C HIS A 16 11.297 2.287 5.320 1.00 0.57 C ATOM 251 O HIS A 16 10.419 1.470 5.593 1.00 0.97 O ATOM 252 CB HIS A 16 13.489 2.240 6.503 1.00 0.67 C ATOM 253 CG HIS A 16 14.440 1.190 6.989 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.046 -0.030 7.492 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.797 1.198 7.049 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.150 -0.710 7.834 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.239 -0.009 7.584 1.00 0.86 N ATOM 0 H HIS A 16 12.724 3.112 3.527 1.00 0.50 H new ATOM 0 HA HIS A 16 12.812 0.793 5.064 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.040 3.166 6.341 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.755 2.438 7.284 1.00 0.67 H new ATOM 0 HD1 HIS A 16 13.085 -0.358 7.587 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.432 2.012 6.732 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.148 -1.703 8.259 1.00 1.02 H new ATOM 265 N THR A 17 11.055 3.573 5.096 1.00 0.43 N ATOM 266 CA THR A 17 9.703 4.110 5.162 1.00 0.42 C ATOM 267 C THR A 17 9.228 4.545 3.781 1.00 0.38 C ATOM 268 O THR A 17 9.483 5.667 3.345 1.00 0.56 O ATOM 269 CB THR A 17 9.638 5.279 6.144 1.00 0.56 C ATOM 270 OG1 THR A 17 10.755 6.137 5.983 1.00 0.65 O ATOM 271 CG2 THR A 17 9.600 4.831 7.589 1.00 0.68 C ATOM 0 H THR A 17 11.774 4.260 4.868 1.00 0.43 H new ATOM 0 HA THR A 17 9.040 3.322 5.519 1.00 0.42 H new ATOM 0 HB THR A 17 8.711 5.804 5.915 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.692 6.879 6.620 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.554 5.704 8.240 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.720 4.209 7.754 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.498 4.256 7.816 1.00 0.68 H new ATOM 279 N VAL A 18 8.538 3.637 3.100 1.00 0.27 N ATOM 280 CA VAL A 18 8.021 3.902 1.765 1.00 0.33 C ATOM 281 C VAL A 18 6.614 4.496 1.836 1.00 0.32 C ATOM 282 O VAL A 18 5.635 3.778 2.035 1.00 0.51 O ATOM 283 CB VAL A 18 8.019 2.603 0.919 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.229 2.762 -0.376 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.445 2.172 0.616 1.00 0.46 C ATOM 0 H VAL A 18 8.323 2.705 3.455 1.00 0.27 H new ATOM 0 HA VAL A 18 8.674 4.630 1.284 1.00 0.33 H new ATOM 0 HB VAL A 18 7.525 1.831 1.508 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.256 1.827 -0.936 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.195 3.016 -0.143 1.00 0.80 H new ATOM 0 HG13 VAL A 18 7.671 3.557 -0.977 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.430 1.259 0.021 1.00 0.46 H new ATOM 0 HG22 VAL A 18 9.953 2.960 0.059 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.976 1.988 1.550 1.00 0.46 H new ATOM 295 N THR A 19 6.528 5.811 1.667 1.00 0.27 N ATOM 296 CA THR A 19 5.249 6.509 1.708 1.00 0.24 C ATOM 297 C THR A 19 4.606 6.595 0.334 1.00 0.22 C ATOM 298 O THR A 19 5.295 6.755 -0.677 1.00 0.34 O ATOM 299 CB THR A 19 5.410 7.917 2.263 1.00 0.28 C ATOM 300 OG1 THR A 19 5.839 7.888 3.613 1.00 0.35 O ATOM 301 CG2 THR A 19 4.121 8.706 2.195 1.00 0.32 C ATOM 0 H THR A 19 7.332 6.416 1.500 1.00 0.27 H new ATOM 0 HA THR A 19 4.602 5.928 2.364 1.00 0.24 H new ATOM 0 HB THR A 19 6.161 8.403 1.640 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.079 8.078 4.202 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.283 9.704 2.602 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.797 8.785 1.157 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.352 8.198 2.777 1.00 0.32 H new ATOM 309 N LEU A 20 3.272 6.498 0.328 1.00 0.28 N ATOM 310 CA LEU A 20 2.492 6.558 -0.902 1.00 0.26 C ATOM 311 C LEU A 20 1.099 7.133 -0.665 1.00 0.28 C ATOM 312 O LEU A 20 0.628 7.236 0.476 1.00 0.40 O ATOM 313 CB LEU A 20 2.357 5.165 -1.531 1.00 0.33 C ATOM 314 CG LEU A 20 2.892 4.003 -0.690 1.00 0.39 C ATOM 315 CD1 LEU A 20 1.873 2.888 -0.614 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.207 3.523 -1.264 1.00 0.50 C ATOM 0 H LEU A 20 2.711 6.377 1.171 1.00 0.28 H new ATOM 0 HA LEU A 20 3.030 7.218 -1.582 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.303 4.982 -1.742 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.878 5.167 -2.488 1.00 0.33 H new ATOM 0 HG LEU A 20 3.071 4.346 0.329 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.272 2.071 -0.012 1.00 0.52 H new ATOM 0 HD12 LEU A 20 0.957 3.263 -0.157 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.655 2.525 -1.619 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.586 2.696 -0.664 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.055 3.187 -2.290 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.929 4.340 -1.253 1.00 0.50 H new ATOM 328 N LYS A 21 0.450 7.493 -1.769 1.00 0.25 N ATOM 329 CA LYS A 21 -0.892 8.054 -1.738 1.00 0.31 C ATOM 330 C LYS A 21 -1.696 7.559 -2.937 1.00 0.31 C ATOM 331 O LYS A 21 -1.176 7.479 -4.051 1.00 0.51 O ATOM 332 CB LYS A 21 -0.823 9.584 -1.747 1.00 0.40 C ATOM 333 CG LYS A 21 -2.158 10.260 -2.008 1.00 0.81 C ATOM 334 CD LYS A 21 -3.159 9.939 -0.914 1.00 0.95 C ATOM 335 CE LYS A 21 -4.171 11.062 -0.741 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.554 12.291 -0.172 1.00 1.84 N ATOM 0 H LYS A 21 0.841 7.403 -2.707 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.388 7.729 -0.823 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.436 9.926 -0.787 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.111 9.901 -2.509 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.016 11.339 -2.070 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.551 9.935 -2.971 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.679 9.012 -1.155 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.633 9.774 0.026 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.620 11.296 -1.706 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.976 10.726 -0.088 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.174 12.681 0.566 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.629 12.056 0.241 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.427 12.997 -0.925 1.00 1.84 H new ATOM 350 N TRP A 22 -2.963 7.224 -2.708 1.00 0.25 N ATOM 351 CA TRP A 22 -3.817 6.735 -3.779 1.00 0.24 C ATOM 352 C TRP A 22 -5.104 7.542 -3.895 1.00 0.24 C ATOM 353 O TRP A 22 -5.306 8.525 -3.183 1.00 0.40 O ATOM 354 CB TRP A 22 -4.147 5.268 -3.552 1.00 0.27 C ATOM 355 CG TRP A 22 -4.602 4.948 -2.162 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.885 4.784 -1.740 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.773 4.742 -1.017 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.906 4.483 -0.397 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.619 4.453 0.070 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.397 4.774 -0.808 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.126 4.197 1.351 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.910 4.520 0.458 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.774 4.232 1.523 1.00 0.32 C ATOM 0 H TRP A 22 -3.416 7.283 -1.796 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.269 6.849 -4.714 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.925 4.970 -4.254 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.265 4.669 -3.780 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.759 4.876 -2.367 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.743 4.310 0.159 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.722 4.994 -1.622 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.790 3.980 2.174 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.844 4.544 0.631 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.360 4.034 2.501 1.00 0.32 H new ATOM 374 N ALA A 23 -5.972 7.110 -4.808 1.00 0.31 N ATOM 375 CA ALA A 23 -7.248 7.774 -5.039 1.00 0.33 C ATOM 376 C ALA A 23 -8.386 7.024 -4.353 1.00 0.36 C ATOM 377 O ALA A 23 -8.670 5.874 -4.685 1.00 0.83 O ATOM 378 CB ALA A 23 -7.515 7.875 -6.533 1.00 0.36 C ATOM 0 H ALA A 23 -5.810 6.297 -5.402 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.196 8.776 -4.613 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.471 8.372 -6.699 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.719 8.450 -7.007 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.547 6.875 -6.965 1.00 0.36 H new ATOM 384 N LYS A 24 -9.036 7.678 -3.397 1.00 0.59 N ATOM 385 CA LYS A 24 -10.144 7.059 -2.679 1.00 0.61 C ATOM 386 C LYS A 24 -11.209 6.567 -3.657 1.00 0.59 C ATOM 387 O LYS A 24 -11.457 7.198 -4.683 1.00 0.69 O ATOM 388 CB LYS A 24 -10.763 8.045 -1.686 1.00 0.74 C ATOM 389 CG LYS A 24 -11.505 9.193 -2.351 1.00 1.21 C ATOM 390 CD LYS A 24 -12.953 8.830 -2.639 1.00 1.22 C ATOM 391 CE LYS A 24 -13.897 9.960 -2.258 1.00 1.55 C ATOM 392 NZ LYS A 24 -14.907 9.524 -1.254 1.00 2.11 N ATOM 0 H LYS A 24 -8.817 8.630 -3.103 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.753 6.205 -2.126 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.452 7.507 -1.034 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -9.975 8.451 -1.052 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.471 10.071 -1.706 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.004 9.461 -3.281 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.068 8.600 -3.698 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.220 7.929 -2.086 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -13.322 10.794 -1.856 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.406 10.325 -3.150 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.531 10.322 -1.020 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.473 8.745 -1.647 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -14.423 9.200 -0.393 1.00 2.11 H new ATOM 406 N PRO A 25 -11.853 5.427 -3.351 1.00 0.56 N ATOM 407 CA PRO A 25 -12.895 4.852 -4.210 1.00 0.63 C ATOM 408 C PRO A 25 -14.173 5.680 -4.206 1.00 0.75 C ATOM 409 O PRO A 25 -14.330 6.597 -3.400 1.00 0.89 O ATOM 410 CB PRO A 25 -13.148 3.479 -3.585 1.00 0.63 C ATOM 411 CG PRO A 25 -12.773 3.647 -2.155 1.00 0.71 C ATOM 412 CD PRO A 25 -11.618 4.610 -2.146 1.00 0.58 C ATOM 0 HA PRO A 25 -12.586 4.812 -5.255 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.191 3.181 -3.690 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -12.547 2.707 -4.065 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.610 4.034 -1.574 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.490 2.693 -1.710 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.608 5.219 -1.242 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.660 4.091 -2.191 1.00 0.58 H new ATOM 420 N GLU A 26 -15.089 5.349 -5.111 1.00 0.85 N ATOM 421 CA GLU A 26 -16.355 6.063 -5.208 1.00 1.05 C ATOM 422 C GLU A 26 -17.527 5.095 -5.237 1.00 0.95 C ATOM 423 O GLU A 26 -18.522 5.293 -4.539 1.00 1.12 O ATOM 424 CB GLU A 26 -16.379 6.948 -6.456 1.00 1.29 C ATOM 425 CG GLU A 26 -15.158 7.845 -6.584 1.00 1.83 C ATOM 426 CD GLU A 26 -14.410 7.627 -7.886 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.566 6.543 -8.485 1.00 2.53 O ATOM 428 OE2 GLU A 26 -13.669 8.541 -8.303 1.00 2.77 O ATOM 0 H GLU A 26 -14.978 4.592 -5.786 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.450 6.694 -4.324 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.449 6.315 -7.340 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -17.275 7.568 -6.436 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -15.469 8.888 -6.518 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.485 7.659 -5.747 1.00 1.83 H new ATOM 435 N TYR A 27 -17.412 4.049 -6.044 1.00 0.85 N ATOM 436 CA TYR A 27 -18.477 3.065 -6.145 1.00 0.84 C ATOM 437 C TYR A 27 -18.295 1.946 -5.126 1.00 0.86 C ATOM 438 O TYR A 27 -18.070 0.792 -5.493 1.00 1.37 O ATOM 439 CB TYR A 27 -18.546 2.474 -7.556 1.00 0.86 C ATOM 440 CG TYR A 27 -19.924 1.964 -7.933 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.666 1.192 -7.049 1.00 0.93 C ATOM 442 CD2 TYR A 27 -20.482 2.256 -9.172 1.00 1.15 C ATOM 443 CE1 TYR A 27 -21.920 0.725 -7.381 1.00 1.04 C ATOM 444 CE2 TYR A 27 -21.739 1.792 -9.515 1.00 1.28 C ATOM 445 CZ TYR A 27 -22.454 1.026 -8.616 1.00 1.19 C ATOM 446 OH TYR A 27 -23.705 0.563 -8.953 1.00 1.35 O ATOM 0 H TYR A 27 -16.600 3.862 -6.632 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.414 3.579 -5.932 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.240 3.234 -8.275 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -17.831 1.655 -7.634 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.252 0.952 -6.081 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -19.925 2.855 -9.878 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -22.481 0.127 -6.678 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -22.159 2.028 -10.482 1.00 1.28 H new ATOM 0 HH TYR A 27 -23.933 0.865 -9.857 1.00 1.35 H new ATOM 456 N THR A 28 -18.410 2.287 -3.849 1.00 0.65 N ATOM 457 CA THR A 28 -18.276 1.299 -2.787 1.00 0.61 C ATOM 458 C THR A 28 -19.656 0.803 -2.372 1.00 0.66 C ATOM 459 O THR A 28 -20.000 0.799 -1.190 1.00 0.81 O ATOM 460 CB THR A 28 -17.545 1.890 -1.582 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.211 3.048 -1.107 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.110 2.271 -1.877 1.00 0.79 C ATOM 0 H THR A 28 -18.595 3.236 -3.525 1.00 0.65 H new ATOM 0 HA THR A 28 -17.688 0.462 -3.163 1.00 0.61 H new ATOM 0 HB THR A 28 -17.545 1.100 -0.831 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.859 2.793 -0.418 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.651 2.684 -0.979 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.557 1.387 -2.194 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.088 3.017 -2.671 1.00 0.79 H new ATOM 470 N GLY A 29 -20.445 0.395 -3.362 1.00 0.75 N ATOM 471 CA GLY A 29 -21.787 -0.092 -3.104 1.00 0.80 C ATOM 472 C GLY A 29 -22.569 0.832 -2.188 1.00 0.85 C ATOM 473 O GLY A 29 -23.188 1.792 -2.647 1.00 1.01 O ATOM 0 H GLY A 29 -20.175 0.394 -4.346 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.320 -0.200 -4.049 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.731 -1.084 -2.655 1.00 0.80 H new ATOM 477 N GLY A 30 -22.532 0.550 -0.892 1.00 0.83 N ATOM 478 CA GLY A 30 -23.234 1.376 0.074 1.00 0.89 C ATOM 479 C GLY A 30 -22.395 1.603 1.313 1.00 0.85 C ATOM 480 O GLY A 30 -22.918 1.810 2.408 1.00 0.98 O ATOM 0 H GLY A 30 -22.026 -0.239 -0.490 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -23.486 2.335 -0.379 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.174 0.898 0.351 1.00 0.89 H new ATOM 484 N PHE A 31 -21.081 1.541 1.129 1.00 0.73 N ATOM 485 CA PHE A 31 -20.128 1.715 2.215 1.00 0.69 C ATOM 486 C PHE A 31 -19.229 2.922 1.978 1.00 0.67 C ATOM 487 O PHE A 31 -19.399 3.662 1.009 1.00 0.74 O ATOM 488 CB PHE A 31 -19.248 0.469 2.345 1.00 0.63 C ATOM 489 CG PHE A 31 -19.806 -0.765 1.679 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.838 -1.476 2.268 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.297 -1.207 0.463 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.354 -2.606 1.662 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.811 -2.336 -0.146 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.841 -3.036 0.454 1.00 0.83 C ATOM 0 H PHE A 31 -20.648 1.369 0.222 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.699 1.873 3.130 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.269 0.685 1.918 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.094 0.257 3.403 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.244 -1.144 3.212 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.493 -0.663 -0.010 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.158 -3.152 2.133 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.408 -2.671 -1.090 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.244 -3.918 -0.021 1.00 0.83 H new ATOM 504 N LYS A 32 -18.265 3.104 2.874 1.00 0.68 N ATOM 505 CA LYS A 32 -17.321 4.212 2.777 1.00 0.72 C ATOM 506 C LYS A 32 -15.897 3.783 3.147 1.00 0.66 C ATOM 507 O LYS A 32 -14.998 4.622 3.218 1.00 0.74 O ATOM 508 CB LYS A 32 -17.758 5.357 3.689 1.00 0.86 C ATOM 509 CG LYS A 32 -17.768 4.986 5.164 1.00 1.38 C ATOM 510 CD LYS A 32 -17.034 6.017 6.006 1.00 1.38 C ATOM 511 CE LYS A 32 -15.944 5.378 6.851 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.921 5.929 8.234 1.00 2.26 N ATOM 0 H LYS A 32 -18.116 2.496 3.679 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.316 4.545 1.739 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.090 6.205 3.540 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.756 5.683 3.397 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.798 4.899 5.511 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.303 4.009 5.297 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.594 6.772 5.355 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.744 6.530 6.655 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.101 4.300 6.892 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.975 5.541 6.379 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.164 5.468 8.779 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.746 6.953 8.197 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.837 5.751 8.694 1.00 2.26 H new ATOM 526 N ILE A 33 -15.690 2.485 3.386 1.00 0.67 N ATOM 527 CA ILE A 33 -14.372 1.979 3.754 1.00 0.66 C ATOM 528 C ILE A 33 -13.895 2.616 5.059 1.00 0.80 C ATOM 529 O ILE A 33 -14.013 3.824 5.256 1.00 1.71 O ATOM 530 CB ILE A 33 -13.337 2.222 2.632 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.735 1.430 1.380 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.934 1.837 3.093 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.659 1.374 0.315 1.00 0.91 C ATOM 0 H ILE A 33 -16.417 1.771 3.331 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.464 0.903 3.899 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.326 3.284 2.389 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -13.994 0.413 1.674 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.633 1.876 0.951 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.224 2.017 2.286 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.658 2.437 3.960 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.917 0.781 3.363 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.019 0.796 -0.536 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.416 2.386 -0.010 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.767 0.900 0.724 1.00 0.91 H new ATOM 545 N THR A 34 -13.362 1.791 5.953 1.00 0.72 N ATOM 546 CA THR A 34 -12.879 2.278 7.238 1.00 0.73 C ATOM 547 C THR A 34 -11.352 2.267 7.320 1.00 0.59 C ATOM 548 O THR A 34 -10.783 2.607 8.358 1.00 0.76 O ATOM 549 CB THR A 34 -13.470 1.437 8.371 1.00 0.99 C ATOM 550 OG1 THR A 34 -12.748 0.228 8.528 1.00 1.09 O ATOM 551 CG2 THR A 34 -14.924 1.078 8.152 1.00 1.15 C ATOM 0 H THR A 34 -13.254 0.787 5.812 1.00 0.72 H new ATOM 0 HA THR A 34 -13.205 3.313 7.340 1.00 0.73 H new ATOM 0 HB THR A 34 -13.395 2.059 9.263 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.140 -0.295 9.258 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.282 0.482 8.991 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.516 1.990 8.076 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.022 0.504 7.231 1.00 1.15 H new ATOM 559 N SER A 35 -10.683 1.878 6.235 1.00 0.49 N ATOM 560 CA SER A 35 -9.224 1.838 6.227 1.00 0.47 C ATOM 561 C SER A 35 -8.674 1.443 4.859 1.00 0.45 C ATOM 562 O SER A 35 -9.423 1.267 3.901 1.00 0.72 O ATOM 563 CB SER A 35 -8.724 0.854 7.283 1.00 0.64 C ATOM 564 OG SER A 35 -7.336 1.017 7.518 1.00 1.58 O ATOM 0 H SER A 35 -11.123 1.590 5.361 1.00 0.49 H new ATOM 0 HA SER A 35 -8.866 2.842 6.456 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.273 1.004 8.213 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.923 -0.167 6.956 1.00 0.64 H new ATOM 0 HG SER A 35 -7.042 0.377 8.199 1.00 1.58 H new ATOM 570 N TYR A 36 -7.350 1.306 4.794 1.00 0.27 N ATOM 571 CA TYR A 36 -6.653 0.925 3.571 1.00 0.28 C ATOM 572 C TYR A 36 -5.393 0.146 3.921 1.00 0.33 C ATOM 573 O TYR A 36 -4.384 0.734 4.284 1.00 0.68 O ATOM 574 CB TYR A 36 -6.284 2.164 2.764 1.00 0.29 C ATOM 575 CG TYR A 36 -7.477 2.973 2.308 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.483 2.387 1.554 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.596 4.318 2.631 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.577 3.117 1.133 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.688 5.056 2.213 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.662 4.471 1.470 1.00 0.60 C ATOM 581 OH TYR A 36 -10.763 5.180 1.049 1.00 0.76 O ATOM 0 H TYR A 36 -6.731 1.457 5.591 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.312 0.298 2.971 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.635 2.799 3.367 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.708 1.859 1.890 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.409 1.342 1.292 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.824 4.795 3.217 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.357 2.648 0.551 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.766 6.100 2.478 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.691 6.108 1.355 1.00 0.76 H new ATOM 591 N ILE A 37 -5.453 -1.175 3.818 1.00 0.24 N ATOM 592 CA ILE A 37 -4.296 -2.008 4.144 1.00 0.26 C ATOM 593 C ILE A 37 -3.351 -2.130 2.958 1.00 0.33 C ATOM 594 O ILE A 37 -3.745 -2.590 1.891 1.00 0.70 O ATOM 595 CB ILE A 37 -4.681 -3.433 4.610 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.049 -3.468 5.306 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.609 -3.968 5.548 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.572 -4.871 5.513 1.00 1.14 C ATOM 0 H ILE A 37 -6.279 -1.691 3.515 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.802 -1.499 4.972 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.753 -4.063 3.723 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.972 -2.969 6.272 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.767 -2.903 4.712 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.880 -4.971 5.876 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.653 -4.003 5.026 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.525 -3.313 6.415 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.542 -4.828 6.009 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.680 -5.365 4.547 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -5.872 -5.433 6.132 1.00 1.14 H new ATOM 610 N VAL A 38 -2.100 -1.723 3.151 1.00 0.36 N ATOM 611 CA VAL A 38 -1.108 -1.797 2.088 1.00 0.42 C ATOM 612 C VAL A 38 -0.271 -3.065 2.204 1.00 0.35 C ATOM 613 O VAL A 38 0.629 -3.148 3.041 1.00 0.48 O ATOM 614 CB VAL A 38 -0.157 -0.581 2.098 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.535 -0.435 0.750 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.898 0.695 2.462 1.00 0.46 C ATOM 0 H VAL A 38 -1.752 -1.340 4.030 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.666 -1.804 1.151 1.00 0.42 H new ATOM 0 HB VAL A 38 0.602 -0.754 2.861 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.202 0.427 0.775 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.113 -1.335 0.538 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.213 -0.293 -0.030 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.201 1.533 2.461 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.687 0.878 1.733 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.337 0.590 3.454 1.00 0.46 H new ATOM 626 N GLU A 39 -0.564 -4.051 1.360 1.00 0.30 N ATOM 627 CA GLU A 39 0.181 -5.304 1.378 1.00 0.33 C ATOM 628 C GLU A 39 1.552 -5.094 0.749 1.00 0.32 C ATOM 629 O GLU A 39 1.671 -4.472 -0.307 1.00 0.43 O ATOM 630 CB GLU A 39 -0.591 -6.401 0.642 1.00 0.42 C ATOM 631 CG GLU A 39 -1.930 -6.728 1.280 1.00 0.51 C ATOM 632 CD GLU A 39 -2.295 -8.194 1.155 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.605 -8.917 0.406 1.00 1.67 O ATOM 634 OE2 GLU A 39 -3.274 -8.620 1.805 1.00 1.52 O ATOM 0 H GLU A 39 -1.306 -4.007 0.661 1.00 0.30 H new ATOM 0 HA GLU A 39 0.313 -5.624 2.412 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.755 -6.090 -0.390 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.018 -7.304 0.610 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.902 -6.453 2.334 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.708 -6.123 0.813 1.00 0.51 H new ATOM 641 N LYS A 40 2.588 -5.600 1.406 1.00 0.28 N ATOM 642 CA LYS A 40 3.949 -5.444 0.907 1.00 0.31 C ATOM 643 C LYS A 40 4.585 -6.784 0.568 1.00 0.29 C ATOM 644 O LYS A 40 4.313 -7.798 1.208 1.00 0.35 O ATOM 645 CB LYS A 40 4.817 -4.717 1.940 1.00 0.43 C ATOM 646 CG LYS A 40 4.658 -5.254 3.352 1.00 0.92 C ATOM 647 CD LYS A 40 5.903 -5.010 4.187 1.00 1.14 C ATOM 648 CE LYS A 40 6.740 -6.272 4.319 1.00 1.65 C ATOM 649 NZ LYS A 40 7.462 -6.328 5.621 1.00 1.97 N ATOM 0 H LYS A 40 2.513 -6.119 2.281 1.00 0.28 H new ATOM 0 HA LYS A 40 3.890 -4.853 -0.007 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.863 -4.798 1.645 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.565 -3.657 1.933 1.00 0.43 H new ATOM 0 HG2 LYS A 40 3.801 -4.778 3.828 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.449 -6.323 3.314 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.501 -4.222 3.729 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.615 -4.658 5.177 1.00 1.14 H new ATOM 0 HE2 LYS A 40 6.096 -7.146 4.224 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.461 -6.316 3.502 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 8.021 -7.204 5.671 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.096 -5.508 5.702 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.774 -6.312 6.401 1.00 1.97 H new ATOM 663 N ARG A 41 5.447 -6.766 -0.440 1.00 0.36 N ATOM 664 CA ARG A 41 6.148 -7.963 -0.871 1.00 0.40 C ATOM 665 C ARG A 41 7.652 -7.724 -0.827 1.00 0.41 C ATOM 666 O ARG A 41 8.181 -6.893 -1.574 1.00 0.43 O ATOM 667 CB ARG A 41 5.719 -8.367 -2.284 1.00 0.46 C ATOM 668 CG ARG A 41 6.031 -9.817 -2.620 1.00 0.58 C ATOM 669 CD ARG A 41 5.021 -10.393 -3.599 1.00 0.88 C ATOM 670 NE ARG A 41 5.061 -9.716 -4.892 1.00 0.95 N ATOM 671 CZ ARG A 41 4.549 -10.226 -6.007 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.962 -11.416 -5.986 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.622 -9.549 -7.145 1.00 1.44 N ATOM 0 H ARG A 41 5.677 -5.929 -0.976 1.00 0.36 H new ATOM 0 HA ARG A 41 5.893 -8.777 -0.193 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.647 -8.200 -2.392 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.217 -7.720 -3.006 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.032 -9.885 -3.046 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.033 -10.411 -1.706 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.219 -11.455 -3.740 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.019 -10.309 -3.177 1.00 0.88 H new ATOM 0 HE ARG A 41 5.507 -8.800 -4.942 1.00 0.95 H new ATOM 0 HH11 ARG A 41 3.903 -11.940 -5.113 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.569 -11.806 -6.843 1.00 1.44 H new ATOM 0 HH21 ARG A 41 5.072 -8.634 -7.166 1.00 1.44 H new ATOM 0 HH22 ARG A 41 4.228 -9.943 -7.999 1.00 1.44 H new ATOM 687 N ASP A 42 8.333 -8.449 0.058 1.00 0.50 N ATOM 688 CA ASP A 42 9.778 -8.317 0.211 1.00 0.57 C ATOM 689 C ASP A 42 10.506 -9.042 -0.914 1.00 0.62 C ATOM 690 O ASP A 42 11.010 -10.151 -0.731 1.00 0.91 O ATOM 691 CB ASP A 42 10.240 -8.866 1.567 1.00 0.71 C ATOM 692 CG ASP A 42 9.191 -8.721 2.655 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.054 -9.195 2.450 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.509 -8.136 3.712 1.00 1.59 O ATOM 0 H ASP A 42 7.905 -9.135 0.680 1.00 0.50 H new ATOM 0 HA ASP A 42 10.021 -7.255 0.164 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.498 -9.919 1.457 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.147 -8.345 1.873 1.00 0.71 H new ATOM 699 N LEU A 43 10.557 -8.407 -2.078 1.00 0.63 N ATOM 700 CA LEU A 43 11.222 -8.987 -3.239 1.00 0.68 C ATOM 701 C LEU A 43 12.652 -9.408 -2.893 1.00 0.81 C ATOM 702 O LEU A 43 13.257 -8.857 -1.973 1.00 0.90 O ATOM 703 CB LEU A 43 11.226 -7.984 -4.394 1.00 0.62 C ATOM 704 CG LEU A 43 9.877 -7.311 -4.658 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.946 -6.427 -5.891 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.784 -8.357 -4.808 1.00 0.70 C ATOM 0 H LEU A 43 10.145 -7.489 -2.244 1.00 0.63 H new ATOM 0 HA LEU A 43 10.672 -9.877 -3.545 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.967 -7.213 -4.185 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.545 -8.496 -5.302 1.00 0.62 H new ATOM 0 HG LEU A 43 9.636 -6.679 -3.803 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.976 -5.960 -6.058 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.700 -5.654 -5.743 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.212 -7.032 -6.758 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.831 -7.863 -4.995 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.022 -9.015 -5.644 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.714 -8.944 -3.892 1.00 0.70 H new ATOM 718 N PRO A 44 13.216 -10.395 -3.619 1.00 0.92 N ATOM 719 CA PRO A 44 12.536 -11.084 -4.726 1.00 0.99 C ATOM 720 C PRO A 44 11.550 -12.150 -4.256 1.00 1.15 C ATOM 721 O PRO A 44 10.913 -12.816 -5.074 1.00 1.43 O ATOM 722 CB PRO A 44 13.693 -11.734 -5.480 1.00 1.15 C ATOM 723 CG PRO A 44 14.711 -12.016 -4.429 1.00 1.25 C ATOM 724 CD PRO A 44 14.582 -10.913 -3.409 1.00 1.08 C ATOM 0 HA PRO A 44 11.934 -10.397 -5.320 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.376 -12.649 -5.981 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.089 -11.070 -6.248 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.539 -12.990 -3.972 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.714 -12.037 -4.855 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.715 -11.289 -2.395 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.332 -10.137 -3.562 1.00 1.08 H new ATOM 732 N ASN A 45 11.423 -12.317 -2.944 1.00 1.14 N ATOM 733 CA ASN A 45 10.510 -13.311 -2.392 1.00 1.33 C ATOM 734 C ASN A 45 9.186 -12.675 -1.987 1.00 1.43 C ATOM 735 O ASN A 45 8.227 -12.676 -2.758 1.00 2.42 O ATOM 736 CB ASN A 45 11.147 -14.008 -1.189 1.00 1.66 C ATOM 737 CG ASN A 45 12.295 -14.909 -1.588 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.173 -16.134 -1.579 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.423 -14.306 -1.945 1.00 1.89 N ATOM 0 H ASN A 45 11.938 -11.780 -2.246 1.00 1.14 H new ATOM 0 HA ASN A 45 10.310 -14.051 -3.167 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.505 -13.257 -0.485 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.390 -14.596 -0.670 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.231 -14.861 -2.226 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.481 -13.288 -1.938 1.00 1.89 H new ATOM 746 N GLY A 46 9.137 -12.136 -0.772 1.00 0.90 N ATOM 747 CA GLY A 46 7.923 -11.510 -0.289 1.00 1.12 C ATOM 748 C GLY A 46 6.708 -12.403 -0.440 1.00 0.76 C ATOM 749 O GLY A 46 6.795 -13.500 -0.992 1.00 0.96 O ATOM 0 H GLY A 46 9.917 -12.123 -0.115 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.047 -11.246 0.761 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.756 -10.581 -0.833 1.00 1.12 H new ATOM 753 N ARG A 47 5.571 -11.932 0.056 1.00 0.80 N ATOM 754 CA ARG A 47 4.326 -12.691 -0.022 1.00 0.76 C ATOM 755 C ARG A 47 3.136 -11.784 0.257 1.00 0.85 C ATOM 756 O ARG A 47 2.110 -12.223 0.777 1.00 1.71 O ATOM 757 CB ARG A 47 4.334 -13.866 0.967 1.00 0.99 C ATOM 758 CG ARG A 47 5.347 -13.728 2.094 1.00 1.31 C ATOM 759 CD ARG A 47 5.049 -12.519 2.966 1.00 1.11 C ATOM 760 NE ARG A 47 6.225 -12.090 3.717 1.00 1.41 N ATOM 761 CZ ARG A 47 6.701 -12.740 4.773 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.100 -13.843 5.199 1.00 2.41 N ATOM 763 NH2 ARG A 47 7.776 -12.290 5.405 1.00 2.03 N ATOM 0 H ARG A 47 5.484 -11.027 0.518 1.00 0.80 H new ATOM 0 HA ARG A 47 4.239 -13.093 -1.031 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.339 -13.969 1.399 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.540 -14.786 0.419 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.338 -14.630 2.706 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.349 -13.637 1.675 1.00 1.31 H new ATOM 0 HD2 ARG A 47 4.697 -11.698 2.341 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.243 -12.760 3.659 1.00 1.11 H new ATOM 0 HE ARG A 47 6.708 -11.244 3.414 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.272 -14.192 4.716 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.465 -14.342 6.010 1.00 2.41 H new ATOM 0 HH21 ARG A 47 8.241 -11.442 5.081 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.139 -12.792 6.216 1.00 2.03 H new ATOM 777 N TRP A 48 3.286 -10.512 -0.093 1.00 0.50 N ATOM 778 CA TRP A 48 2.237 -9.528 0.113 1.00 0.43 C ATOM 779 C TRP A 48 1.717 -9.577 1.542 1.00 0.45 C ATOM 780 O TRP A 48 0.830 -10.368 1.866 1.00 0.65 O ATOM 781 CB TRP A 48 1.094 -9.765 -0.864 1.00 0.47 C ATOM 782 CG TRP A 48 1.506 -9.620 -2.293 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.415 -10.569 -3.269 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.078 -8.461 -2.909 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.897 -10.070 -4.454 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.309 -8.778 -4.260 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.418 -7.186 -2.450 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.863 -7.868 -5.155 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.968 -6.282 -3.340 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.185 -6.627 -4.679 1.00 0.38 C ATOM 0 H TRP A 48 4.132 -10.139 -0.524 1.00 0.50 H new ATOM 0 HA TRP A 48 2.661 -8.540 -0.065 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.692 -10.766 -0.708 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.289 -9.061 -0.651 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.022 -11.565 -3.130 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.941 -10.579 -5.337 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.254 -6.911 -1.418 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.033 -8.132 -6.188 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.235 -5.293 -2.996 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.615 -5.898 -5.350 1.00 0.38 H new ATOM 801 N LEU A 49 2.277 -8.729 2.397 1.00 0.38 N ATOM 802 CA LEU A 49 1.870 -8.677 3.793 1.00 0.42 C ATOM 803 C LEU A 49 1.519 -7.250 4.197 1.00 0.36 C ATOM 804 O LEU A 49 2.311 -6.329 4.007 1.00 0.39 O ATOM 805 CB LEU A 49 2.983 -9.223 4.688 1.00 0.52 C ATOM 806 CG LEU A 49 2.655 -10.542 5.395 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.995 -11.518 4.430 1.00 0.84 C ATOM 808 CD2 LEU A 49 3.915 -11.152 5.993 1.00 1.28 C ATOM 0 H LEU A 49 3.013 -8.069 2.147 1.00 0.38 H new ATOM 0 HA LEU A 49 0.983 -9.297 3.917 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.879 -9.365 4.083 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.223 -8.474 5.442 1.00 0.52 H new ATOM 0 HG LEU A 49 1.954 -10.334 6.204 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.770 -12.449 4.951 1.00 0.84 H new ATOM 0 HD12 LEU A 49 1.071 -11.083 4.048 1.00 0.84 H new ATOM 0 HD13 LEU A 49 2.671 -11.722 3.599 1.00 0.84 H new ATOM 0 HD21 LEU A 49 3.665 -12.088 6.492 1.00 1.28 H new ATOM 0 HD22 LEU A 49 4.637 -11.345 5.200 1.00 1.28 H new ATOM 0 HD23 LEU A 49 4.346 -10.460 6.716 1.00 1.28 H new ATOM 820 N LYS A 50 0.324 -7.071 4.753 1.00 0.40 N ATOM 821 CA LYS A 50 -0.142 -5.751 5.182 1.00 0.40 C ATOM 822 C LYS A 50 0.967 -4.965 5.883 1.00 0.47 C ATOM 823 O LYS A 50 1.166 -5.093 7.090 1.00 0.85 O ATOM 824 CB LYS A 50 -1.345 -5.895 6.115 1.00 0.59 C ATOM 825 CG LYS A 50 -1.172 -6.983 7.164 1.00 0.72 C ATOM 826 CD LYS A 50 -1.636 -6.520 8.537 1.00 1.03 C ATOM 827 CE LYS A 50 -3.147 -6.612 8.676 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.575 -6.588 10.102 1.00 1.30 N ATOM 0 H LYS A 50 -0.343 -7.825 4.918 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.437 -5.197 4.291 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.522 -4.943 6.616 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.232 -6.112 5.520 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.737 -7.867 6.868 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.124 -7.277 7.214 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -1.161 -7.129 9.307 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -1.317 -5.491 8.702 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.612 -5.782 8.143 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.500 -7.530 8.206 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.612 -6.653 10.154 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -3.152 -7.394 10.605 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.261 -5.701 10.544 1.00 1.30 H new ATOM 842 N ALA A 51 1.681 -4.151 5.112 1.00 0.45 N ATOM 843 CA ALA A 51 2.766 -3.344 5.653 1.00 0.63 C ATOM 844 C ALA A 51 2.282 -2.491 6.820 1.00 0.55 C ATOM 845 O ALA A 51 2.880 -2.495 7.895 1.00 0.72 O ATOM 846 CB ALA A 51 3.360 -2.462 4.565 1.00 0.86 C ATOM 0 H ALA A 51 1.527 -4.034 4.111 1.00 0.45 H new ATOM 0 HA ALA A 51 3.539 -4.017 6.022 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.170 -1.864 4.983 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.748 -3.087 3.761 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.588 -1.802 4.170 1.00 0.86 H new ATOM 852 N ASN A 52 1.196 -1.762 6.596 1.00 0.42 N ATOM 853 CA ASN A 52 0.628 -0.903 7.628 1.00 0.43 C ATOM 854 C ASN A 52 0.109 -1.728 8.798 1.00 0.59 C ATOM 855 O ASN A 52 -0.845 -2.492 8.658 1.00 1.60 O ATOM 856 CB ASN A 52 -0.505 -0.056 7.050 1.00 0.38 C ATOM 857 CG ASN A 52 -1.697 -0.896 6.635 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.649 -1.607 5.631 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.776 -0.818 7.406 1.00 0.62 N ATOM 0 H ASN A 52 0.691 -1.748 5.710 1.00 0.42 H new ATOM 0 HA ASN A 52 1.418 -0.245 7.990 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.821 0.678 7.791 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.137 0.500 6.187 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.608 -1.360 7.175 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.772 -0.216 8.229 1.00 0.62 H new ATOM 866 N PHE A 53 0.742 -1.562 9.955 1.00 0.81 N ATOM 867 CA PHE A 53 0.343 -2.286 11.156 1.00 0.82 C ATOM 868 C PHE A 53 -0.715 -1.513 11.941 1.00 0.84 C ATOM 869 O PHE A 53 -0.956 -1.798 13.113 1.00 1.20 O ATOM 870 CB PHE A 53 1.558 -2.536 12.048 1.00 0.96 C ATOM 871 CG PHE A 53 1.518 -3.865 12.740 1.00 1.15 C ATOM 872 CD1 PHE A 53 1.360 -5.036 12.018 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.642 -3.942 14.116 1.00 1.68 C ATOM 874 CE1 PHE A 53 1.325 -6.260 12.657 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.609 -5.161 14.761 1.00 2.08 C ATOM 876 CZ PHE A 53 1.442 -6.332 14.015 1.00 1.96 C ATOM 0 H PHE A 53 1.534 -0.932 10.086 1.00 0.81 H new ATOM 0 HA PHE A 53 -0.084 -3.239 10.845 1.00 0.82 H new ATOM 0 HB2 PHE A 53 2.463 -2.475 11.444 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.620 -1.746 12.796 1.00 0.96 H new ATOM 0 HD1 PHE A 53 1.263 -4.992 10.943 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.766 -3.037 14.692 1.00 1.68 H new ATOM 0 HE1 PHE A 53 1.204 -7.165 12.079 1.00 1.66 H new ATOM 0 HE2 PHE A 53 1.711 -5.211 15.835 1.00 2.08 H new ATOM 0 HZ PHE A 53 1.406 -7.290 14.512 1.00 1.96 H new ATOM 886 N SER A 54 -1.340 -0.529 11.296 1.00 0.79 N ATOM 887 CA SER A 54 -2.362 0.278 11.950 1.00 0.89 C ATOM 888 C SER A 54 -3.557 0.498 11.028 1.00 0.95 C ATOM 889 O SER A 54 -3.759 -0.246 10.069 1.00 1.89 O ATOM 890 CB SER A 54 -1.776 1.624 12.377 1.00 1.00 C ATOM 891 OG SER A 54 -2.663 2.318 13.236 1.00 1.71 O ATOM 0 H SER A 54 -1.156 -0.274 10.326 1.00 0.79 H new ATOM 0 HA SER A 54 -2.706 -0.260 12.834 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.824 1.465 12.884 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.570 2.231 11.495 1.00 1.00 H new ATOM 0 HG SER A 54 -2.264 3.174 13.496 1.00 1.71 H new ATOM 897 N ASN A 55 -4.349 1.523 11.329 1.00 0.75 N ATOM 898 CA ASN A 55 -5.526 1.838 10.532 1.00 0.69 C ATOM 899 C ASN A 55 -5.236 2.968 9.543 1.00 0.66 C ATOM 900 O ASN A 55 -5.002 4.108 9.940 1.00 1.05 O ATOM 901 CB ASN A 55 -6.693 2.219 11.457 1.00 0.84 C ATOM 902 CG ASN A 55 -7.871 2.838 10.724 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.620 3.631 11.294 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.045 2.480 9.457 1.00 0.83 N ATOM 0 H ASN A 55 -4.195 2.149 12.120 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.800 0.954 9.956 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.032 1.329 11.986 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.335 2.921 12.210 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.822 2.866 8.920 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.402 1.820 9.021 1.00 0.83 H new ATOM 911 N ILE A 56 -5.261 2.641 8.252 1.00 0.40 N ATOM 912 CA ILE A 56 -5.010 3.630 7.210 1.00 0.33 C ATOM 913 C ILE A 56 -6.300 4.342 6.815 1.00 0.31 C ATOM 914 O ILE A 56 -6.706 4.306 5.654 1.00 0.53 O ATOM 915 CB ILE A 56 -4.389 2.993 5.946 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.260 2.039 6.322 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.866 4.075 5.012 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.133 2.719 7.034 1.00 0.69 C ATOM 0 H ILE A 56 -5.452 1.701 7.905 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.302 4.347 7.626 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.166 2.426 5.433 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -3.657 1.246 6.956 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -2.878 1.563 5.419 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.431 3.612 4.126 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.687 4.727 4.715 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.104 4.662 5.525 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.361 1.988 7.275 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -1.712 3.493 6.393 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.504 3.171 7.954 1.00 0.69 H new ATOM 930 N LEU A 57 -6.943 4.995 7.787 1.00 0.44 N ATOM 931 CA LEU A 57 -8.192 5.718 7.531 1.00 0.45 C ATOM 932 C LEU A 57 -8.094 6.517 6.236 1.00 0.42 C ATOM 933 O LEU A 57 -8.880 6.319 5.310 1.00 0.60 O ATOM 934 CB LEU A 57 -8.521 6.652 8.697 1.00 0.48 C ATOM 935 CG LEU A 57 -9.953 7.190 8.708 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.947 6.067 8.451 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.253 7.880 10.029 1.00 1.60 C ATOM 0 H LEU A 57 -6.621 5.038 8.754 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.993 4.986 7.431 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.341 6.120 9.631 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.832 7.496 8.673 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.052 7.924 7.908 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.960 6.468 8.462 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.745 5.618 7.478 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.848 5.309 9.228 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.276 8.256 10.019 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.136 7.168 10.846 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.562 8.711 10.171 1.00 1.60 H new ATOM 949 N GLU A 58 -7.110 7.406 6.174 1.00 0.39 N ATOM 950 CA GLU A 58 -6.893 8.213 4.990 1.00 0.43 C ATOM 951 C GLU A 58 -6.170 7.378 3.945 1.00 0.51 C ATOM 952 O GLU A 58 -5.642 6.309 4.254 1.00 1.09 O ATOM 953 CB GLU A 58 -6.076 9.462 5.334 1.00 0.44 C ATOM 954 CG GLU A 58 -4.742 9.153 5.995 1.00 0.44 C ATOM 955 CD GLU A 58 -4.465 10.036 7.195 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.099 11.106 7.305 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.614 9.656 8.029 1.00 1.54 O ATOM 0 H GLU A 58 -6.452 7.583 6.933 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.855 8.538 4.593 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.897 10.032 4.422 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.662 10.098 5.997 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.729 8.109 6.307 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.942 9.278 5.265 1.00 0.44 H new ATOM 964 N ASN A 59 -6.145 7.855 2.712 1.00 0.31 N ATOM 965 CA ASN A 59 -5.481 7.127 1.640 1.00 0.28 C ATOM 966 C ASN A 59 -3.998 7.487 1.536 1.00 0.28 C ATOM 967 O ASN A 59 -3.348 7.189 0.535 1.00 0.49 O ATOM 968 CB ASN A 59 -6.175 7.377 0.304 1.00 0.32 C ATOM 969 CG ASN A 59 -6.475 8.845 0.063 1.00 0.86 C ATOM 970 OD1 ASN A 59 -6.499 9.649 0.995 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.708 9.201 -1.194 1.00 0.91 N ATOM 0 H ASN A 59 -6.573 8.736 2.428 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.550 6.067 1.884 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.545 7.002 -0.503 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.106 6.811 0.272 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.917 10.174 -1.418 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -6.678 8.502 -1.936 1.00 0.91 H new ATOM 978 N GLU A 60 -3.464 8.118 2.580 1.00 0.29 N ATOM 979 CA GLU A 60 -2.061 8.502 2.609 1.00 0.29 C ATOM 980 C GLU A 60 -1.375 7.818 3.781 1.00 0.27 C ATOM 981 O GLU A 60 -1.659 8.125 4.938 1.00 0.35 O ATOM 982 CB GLU A 60 -1.920 10.020 2.728 1.00 0.34 C ATOM 983 CG GLU A 60 -0.491 10.484 2.956 1.00 0.49 C ATOM 984 CD GLU A 60 0.000 11.416 1.866 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.846 12.061 1.212 1.00 1.91 O ATOM 986 OE2 GLU A 60 1.230 11.502 1.667 1.00 2.05 O ATOM 0 H GLU A 60 -3.987 8.373 3.418 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.588 8.189 1.678 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.303 10.484 1.819 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.542 10.371 3.551 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.427 10.991 3.919 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.165 9.615 3.009 1.00 0.49 H new ATOM 993 N PHE A 61 -0.481 6.883 3.485 1.00 0.24 N ATOM 994 CA PHE A 61 0.219 6.162 4.544 1.00 0.24 C ATOM 995 C PHE A 61 1.689 5.944 4.212 1.00 0.24 C ATOM 996 O PHE A 61 2.108 6.055 3.060 1.00 0.25 O ATOM 997 CB PHE A 61 -0.452 4.804 4.804 1.00 0.28 C ATOM 998 CG PHE A 61 0.335 3.919 5.737 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.352 4.168 7.102 1.00 0.41 C ATOM 1000 CD2 PHE A 61 1.071 2.850 5.248 1.00 0.37 C ATOM 1001 CE1 PHE A 61 1.082 3.365 7.955 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.796 2.055 6.096 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.805 2.305 7.448 1.00 0.48 C ATOM 0 H PHE A 61 -0.225 6.608 2.537 1.00 0.24 H new ATOM 0 HA PHE A 61 0.162 6.779 5.441 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.444 4.971 5.223 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.590 4.287 3.854 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.212 4.998 7.501 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.073 2.642 4.188 1.00 0.37 H new ATOM 0 HE1 PHE A 61 1.087 3.566 9.016 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.364 1.226 5.700 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.377 1.673 8.112 1.00 0.48 H new ATOM 1013 N THR A 62 2.457 5.615 5.246 1.00 0.25 N ATOM 1014 CA THR A 62 3.870 5.353 5.104 1.00 0.27 C ATOM 1015 C THR A 62 4.178 3.900 5.408 1.00 0.29 C ATOM 1016 O THR A 62 4.157 3.471 6.562 1.00 0.35 O ATOM 1017 CB THR A 62 4.688 6.281 6.003 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.500 7.634 5.627 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.174 6.001 5.969 1.00 0.37 C ATOM 0 H THR A 62 2.110 5.525 6.201 1.00 0.25 H new ATOM 0 HA THR A 62 4.150 5.551 4.070 1.00 0.27 H new ATOM 0 HB THR A 62 4.325 6.093 7.013 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.030 8.213 6.213 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.691 6.697 6.630 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.359 4.980 6.301 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.544 6.124 4.951 1.00 0.37 H new ATOM 1027 N VAL A 63 4.456 3.143 4.353 1.00 0.31 N ATOM 1028 CA VAL A 63 4.761 1.733 4.488 1.00 0.36 C ATOM 1029 C VAL A 63 6.081 1.519 5.223 1.00 0.38 C ATOM 1030 O VAL A 63 7.126 1.320 4.601 1.00 0.50 O ATOM 1031 CB VAL A 63 4.794 1.034 3.116 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.225 -0.419 3.251 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.424 1.127 2.467 1.00 0.58 C ATOM 0 H VAL A 63 4.475 3.488 3.393 1.00 0.31 H new ATOM 0 HA VAL A 63 3.963 1.286 5.081 1.00 0.36 H new ATOM 0 HB VAL A 63 5.526 1.537 2.484 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.239 -0.887 2.267 1.00 1.08 H new ATOM 0 HG12 VAL A 63 6.222 -0.464 3.688 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.523 -0.949 3.895 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.447 0.632 1.496 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.686 0.641 3.104 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.155 2.175 2.334 1.00 0.58 H new ATOM 1043 N SER A 64 6.024 1.564 6.551 1.00 0.49 N ATOM 1044 CA SER A 64 7.211 1.377 7.379 1.00 0.55 C ATOM 1045 C SER A 64 7.435 -0.101 7.685 1.00 0.63 C ATOM 1046 O SER A 64 6.717 -0.966 7.183 1.00 0.99 O ATOM 1047 CB SER A 64 7.072 2.161 8.687 1.00 0.63 C ATOM 1048 OG SER A 64 6.486 1.363 9.703 1.00 1.33 O ATOM 0 H SER A 64 5.166 1.729 7.078 1.00 0.49 H new ATOM 0 HA SER A 64 8.072 1.750 6.825 1.00 0.55 H new ATOM 0 HB2 SER A 64 8.053 2.507 9.013 1.00 0.63 H new ATOM 0 HB3 SER A 64 6.461 3.048 8.519 1.00 0.63 H new ATOM 0 HG SER A 64 6.410 1.887 10.528 1.00 1.33 H new ATOM 1054 N GLY A 65 8.435 -0.380 8.514 1.00 0.71 N ATOM 1055 CA GLY A 65 8.737 -1.751 8.877 1.00 0.78 C ATOM 1056 C GLY A 65 9.436 -2.512 7.767 1.00 0.72 C ATOM 1057 O GLY A 65 9.375 -3.740 7.715 1.00 0.90 O ATOM 0 H GLY A 65 9.042 0.320 8.941 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.366 -1.756 9.767 1.00 0.78 H new ATOM 0 HA3 GLY A 65 7.812 -2.265 9.137 1.00 0.78 H new ATOM 1061 N LEU A 66 10.102 -1.783 6.877 1.00 0.64 N ATOM 1062 CA LEU A 66 10.814 -2.408 5.768 1.00 0.65 C ATOM 1063 C LEU A 66 12.293 -2.573 6.092 1.00 0.59 C ATOM 1064 O LEU A 66 12.696 -2.511 7.253 1.00 0.65 O ATOM 1065 CB LEU A 66 10.648 -1.582 4.492 1.00 0.74 C ATOM 1066 CG LEU A 66 9.228 -1.086 4.228 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.226 -0.051 3.115 1.00 0.89 C ATOM 1068 CD2 LEU A 66 8.310 -2.248 3.883 1.00 1.47 C ATOM 0 H LEU A 66 10.164 -0.765 6.901 1.00 0.64 H new ATOM 0 HA LEU A 66 10.384 -3.397 5.609 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.314 -0.721 4.545 1.00 0.74 H new ATOM 0 HB3 LEU A 66 10.971 -2.184 3.642 1.00 0.74 H new ATOM 0 HG LEU A 66 8.853 -0.615 5.136 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.207 0.292 2.939 1.00 0.89 H new ATOM 0 HD12 LEU A 66 9.849 0.795 3.404 1.00 0.89 H new ATOM 0 HD13 LEU A 66 9.621 -0.497 2.202 1.00 0.89 H new ATOM 0 HD21 LEU A 66 7.303 -1.874 3.698 1.00 1.47 H new ATOM 0 HD22 LEU A 66 8.680 -2.751 2.989 1.00 1.47 H new ATOM 0 HD23 LEU A 66 8.288 -2.954 4.714 1.00 1.47 H new ATOM 1080 N THR A 67 13.097 -2.785 5.058 1.00 0.65 N ATOM 1081 CA THR A 67 14.533 -2.963 5.233 1.00 0.69 C ATOM 1082 C THR A 67 15.312 -2.210 4.161 1.00 0.72 C ATOM 1083 O THR A 67 14.777 -1.878 3.103 1.00 1.06 O ATOM 1084 CB THR A 67 14.890 -4.448 5.195 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.305 -5.129 6.292 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.380 -4.708 5.236 1.00 0.99 C ATOM 0 H THR A 67 12.780 -2.838 4.090 1.00 0.65 H new ATOM 0 HA THR A 67 14.809 -2.555 6.205 1.00 0.69 H new ATOM 0 HB THR A 67 14.501 -4.816 4.245 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.542 -6.079 6.251 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.563 -5.782 5.206 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.856 -4.235 4.377 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.796 -4.295 6.155 1.00 0.99 H new ATOM 1094 N GLU A 68 16.582 -1.942 4.446 1.00 0.66 N ATOM 1095 CA GLU A 68 17.441 -1.226 3.511 1.00 0.67 C ATOM 1096 C GLU A 68 18.160 -2.193 2.574 1.00 0.60 C ATOM 1097 O GLU A 68 18.478 -3.320 2.953 1.00 0.69 O ATOM 1098 CB GLU A 68 18.464 -0.383 4.274 1.00 0.76 C ATOM 1099 CG GLU A 68 19.288 0.532 3.382 1.00 0.96 C ATOM 1100 CD GLU A 68 20.534 1.051 4.069 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.399 1.858 5.013 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.646 0.653 3.663 1.00 1.89 O ATOM 0 H GLU A 68 17.039 -2.210 5.318 1.00 0.66 H new ATOM 0 HA GLU A 68 16.812 -0.570 2.909 1.00 0.67 H new ATOM 0 HB2 GLU A 68 17.943 0.221 5.017 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.136 -1.047 4.818 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.574 -0.008 2.480 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.674 1.375 3.067 1.00 0.96 H new ATOM 1109 N ASP A 69 18.416 -1.738 1.352 1.00 0.52 N ATOM 1110 CA ASP A 69 19.100 -2.554 0.355 1.00 0.49 C ATOM 1111 C ASP A 69 18.227 -3.723 -0.096 1.00 0.44 C ATOM 1112 O ASP A 69 18.713 -4.840 -0.280 1.00 0.54 O ATOM 1113 CB ASP A 69 20.426 -3.071 0.917 1.00 0.59 C ATOM 1114 CG ASP A 69 21.623 -2.560 0.136 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.697 -1.337 -0.106 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.488 -3.384 -0.232 1.00 1.87 O ATOM 0 H ASP A 69 18.159 -0.806 1.027 1.00 0.52 H new ATOM 0 HA ASP A 69 19.300 -1.928 -0.514 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.519 -2.767 1.960 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.424 -4.161 0.902 1.00 0.59 H new ATOM 1121 N ALA A 70 16.938 -3.457 -0.276 1.00 0.40 N ATOM 1122 CA ALA A 70 15.995 -4.482 -0.709 1.00 0.40 C ATOM 1123 C ALA A 70 14.793 -3.854 -1.405 1.00 0.35 C ATOM 1124 O ALA A 70 14.195 -2.909 -0.893 1.00 0.36 O ATOM 1125 CB ALA A 70 15.535 -5.316 0.476 1.00 0.49 C ATOM 0 H ALA A 70 16.521 -2.538 -0.128 1.00 0.40 H new ATOM 0 HA ALA A 70 16.505 -5.132 -1.420 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.832 -6.076 0.135 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.396 -5.799 0.937 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.046 -4.671 1.207 1.00 0.49 H new ATOM 1131 N ALA A 71 14.440 -4.384 -2.572 1.00 0.33 N ATOM 1132 CA ALA A 71 13.303 -3.868 -3.322 1.00 0.30 C ATOM 1133 C ALA A 71 12.000 -4.268 -2.649 1.00 0.27 C ATOM 1134 O ALA A 71 11.836 -5.411 -2.224 1.00 0.36 O ATOM 1135 CB ALA A 71 13.340 -4.359 -4.761 1.00 0.34 C ATOM 0 H ALA A 71 14.922 -5.166 -3.016 1.00 0.33 H new ATOM 0 HA ALA A 71 13.363 -2.780 -3.335 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.482 -3.962 -5.303 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.259 -4.019 -5.238 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.305 -5.448 -4.775 1.00 0.34 H new ATOM 1141 N TYR A 72 11.079 -3.318 -2.540 1.00 0.24 N ATOM 1142 CA TYR A 72 9.799 -3.583 -1.899 1.00 0.24 C ATOM 1143 C TYR A 72 8.619 -3.107 -2.739 1.00 0.21 C ATOM 1144 O TYR A 72 8.536 -1.933 -3.103 1.00 0.23 O ATOM 1145 CB TYR A 72 9.757 -2.899 -0.535 1.00 0.30 C ATOM 1146 CG TYR A 72 10.424 -3.690 0.562 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.731 -4.683 1.238 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.744 -3.445 0.923 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.327 -5.412 2.244 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.351 -4.171 1.931 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.639 -5.153 2.588 1.00 0.46 C ATOM 1152 OH TYR A 72 12.238 -5.878 3.592 1.00 0.56 O ATOM 0 H TYR A 72 11.194 -2.365 -2.884 1.00 0.24 H new ATOM 0 HA TYR A 72 9.710 -4.664 -1.787 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.239 -1.924 -0.612 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.718 -2.720 -0.261 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.705 -4.889 0.971 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.303 -2.677 0.409 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.772 -6.181 2.760 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.377 -3.970 2.203 1.00 0.42 H new ATOM 0 HH TYR A 72 13.101 -6.221 3.278 1.00 0.56 H new ATOM 1162 N GLU A 73 7.699 -4.025 -3.020 1.00 0.21 N ATOM 1163 CA GLU A 73 6.500 -3.705 -3.793 1.00 0.21 C ATOM 1164 C GLU A 73 5.320 -3.587 -2.835 1.00 0.23 C ATOM 1165 O GLU A 73 5.218 -4.371 -1.892 1.00 0.32 O ATOM 1166 CB GLU A 73 6.231 -4.789 -4.837 1.00 0.25 C ATOM 1167 CG GLU A 73 6.220 -4.275 -6.267 1.00 0.65 C ATOM 1168 CD GLU A 73 5.789 -5.335 -7.263 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.573 -5.607 -7.351 1.00 1.32 O ATOM 1170 OE2 GLU A 73 6.667 -5.893 -7.954 1.00 1.50 O ATOM 0 H GLU A 73 7.760 -4.999 -2.724 1.00 0.21 H new ATOM 0 HA GLU A 73 6.644 -2.761 -4.319 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.991 -5.565 -4.746 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.270 -5.257 -4.622 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.547 -3.420 -6.337 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.216 -3.919 -6.529 1.00 0.65 H new ATOM 1177 N PHE A 74 4.437 -2.607 -3.037 1.00 0.22 N ATOM 1178 CA PHE A 74 3.308 -2.462 -2.097 1.00 0.28 C ATOM 1179 C PHE A 74 1.961 -2.134 -2.741 1.00 0.25 C ATOM 1180 O PHE A 74 1.788 -1.080 -3.347 1.00 0.30 O ATOM 1181 CB PHE A 74 3.602 -1.386 -1.042 1.00 0.39 C ATOM 1182 CG PHE A 74 5.047 -0.989 -0.929 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.680 -0.333 -1.970 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.767 -1.279 0.216 1.00 0.42 C ATOM 1185 CE1 PHE A 74 7.010 0.031 -1.869 1.00 0.60 C ATOM 1186 CE2 PHE A 74 7.095 -0.920 0.323 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.713 -0.246 -0.718 1.00 0.53 C ATOM 0 H PHE A 74 4.469 -1.930 -3.800 1.00 0.22 H new ATOM 0 HA PHE A 74 3.217 -3.451 -1.648 1.00 0.28 H new ATOM 0 HB2 PHE A 74 3.014 -0.499 -1.275 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.263 -1.747 -0.071 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.130 -0.103 -2.870 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.285 -1.792 1.035 1.00 0.42 H new ATOM 0 HE1 PHE A 74 7.497 0.532 -2.692 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.651 -1.164 1.216 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.744 0.062 -0.627 1.00 0.53 H new ATOM 1197 N ARG A 75 0.996 -3.032 -2.552 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.361 -2.840 -3.058 1.00 0.34 C ATOM 1199 C ARG A 75 -1.263 -2.479 -1.883 1.00 0.31 C ATOM 1200 O ARG A 75 -0.787 -2.414 -0.752 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.878 -4.110 -3.739 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.342 -5.392 -3.127 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.195 -6.594 -3.505 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.538 -7.440 -4.498 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.160 -8.402 -5.173 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.446 -8.640 -4.960 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.493 -9.129 -6.061 1.00 1.87 N ATOM 0 H ARG A 75 1.132 -3.908 -2.047 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.361 -2.041 -3.800 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.967 -4.121 -3.689 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.608 -4.081 -4.795 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.683 -5.554 -3.460 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.313 -5.293 -2.042 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.409 -7.182 -2.612 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.152 -6.250 -3.898 1.00 1.08 H new ATOM 0 HE ARG A 75 0.453 -7.284 -4.684 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.961 -8.085 -4.277 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.921 -9.379 -5.479 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.498 -8.950 -6.226 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.971 -9.867 -6.578 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.552 -2.252 -2.120 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.440 -1.916 -1.006 1.00 0.39 C ATOM 1223 C VAL A 76 -4.849 -2.495 -1.158 1.00 0.31 C ATOM 1224 O VAL A 76 -5.575 -2.194 -2.105 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.506 -0.375 -0.730 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.331 0.435 -1.998 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.796 0.042 -0.017 1.00 0.47 C ATOM 0 H VAL A 76 -2.995 -2.292 -3.038 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.988 -2.393 -0.137 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.672 -0.160 -0.062 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.383 1.498 -1.761 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.362 0.210 -2.443 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.122 0.181 -2.704 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.788 1.119 0.149 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.655 -0.224 -0.633 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -4.864 -0.472 0.942 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.219 -3.299 -0.167 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.522 -3.913 -0.084 1.00 0.31 C ATOM 1239 C ILE A 77 -7.286 -3.196 1.019 1.00 0.30 C ATOM 1240 O ILE A 77 -6.672 -2.653 1.936 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.402 -5.416 0.244 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.798 -6.162 -0.940 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.753 -6.000 0.606 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.211 -7.508 -0.575 1.00 0.42 C ATOM 0 H ILE A 77 -4.605 -3.541 0.610 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.041 -3.829 -1.039 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.744 -5.530 1.106 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.567 -6.305 -1.699 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.019 -5.545 -1.388 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.642 -7.060 0.833 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.151 -5.482 1.478 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.439 -5.878 -0.233 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.800 -7.980 -1.468 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.419 -7.372 0.161 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.991 -8.143 -0.155 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.606 -3.167 0.950 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.353 -2.473 1.990 1.00 0.30 C ATOM 1258 C ALA A 78 -10.820 -2.841 2.003 1.00 0.34 C ATOM 1259 O ALA A 78 -11.552 -2.550 1.067 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.199 -0.973 1.822 1.00 0.39 C ATOM 0 H ALA A 78 -9.168 -3.598 0.215 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.936 -2.788 2.947 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.760 -0.460 2.603 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.145 -0.705 1.897 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.581 -0.675 0.846 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.259 -3.462 3.078 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.654 -3.831 3.177 1.00 0.43 C ATOM 1268 C LYS A 79 -13.515 -2.582 3.152 1.00 0.59 C ATOM 1269 O LYS A 79 -13.008 -1.477 2.960 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.922 -4.650 4.433 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.513 -6.106 4.297 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.723 -7.024 4.329 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.965 -7.561 5.725 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.305 -8.878 5.938 1.00 1.98 N ATOM 0 H LYS A 79 -10.683 -3.717 3.880 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.910 -4.456 2.322 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.384 -4.205 5.270 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.984 -4.599 4.673 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.971 -6.248 3.362 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.831 -6.371 5.105 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.604 -6.481 3.987 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.572 -7.854 3.638 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.592 -6.846 6.458 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -15.037 -7.661 5.894 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.496 -9.209 6.905 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -13.679 -9.568 5.256 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.279 -8.778 5.802 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.812 -2.752 3.327 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.714 -1.619 3.298 1.00 0.70 C ATOM 1290 C ASN A 80 -16.491 -1.480 4.620 1.00 0.87 C ATOM 1291 O ASN A 80 -15.888 -1.198 5.655 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.632 -1.750 2.085 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.938 -1.347 0.800 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.325 -0.379 0.150 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.905 -2.090 0.429 1.00 2.05 N ATOM 0 H ASN A 80 -15.260 -3.654 3.489 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.141 -0.697 3.198 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.978 -2.780 2.002 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.515 -1.128 2.230 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.397 -1.866 -0.427 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.618 -2.885 0.999 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.815 -1.664 4.602 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.611 -1.541 5.814 1.00 0.82 C ATOM 1304 C ALA A 81 -19.395 -2.819 6.096 1.00 0.88 C ATOM 1305 O ALA A 81 -19.541 -3.230 7.247 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.561 -0.356 5.697 1.00 0.83 C ATOM 0 H ALA A 81 -18.349 -1.897 3.765 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.931 -1.375 6.649 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.152 -0.272 6.609 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.986 0.559 5.552 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.226 -0.505 4.846 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.902 -3.441 5.036 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.678 -4.667 5.167 1.00 0.90 C ATOM 1314 C ALA A 82 -19.794 -5.908 5.044 1.00 0.88 C ATOM 1315 O ALA A 82 -20.275 -6.989 4.706 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.781 -4.694 4.119 1.00 0.94 C ATOM 0 H ALA A 82 -19.789 -3.115 4.076 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.125 -4.681 6.161 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.358 -5.613 4.222 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.438 -3.836 4.260 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -21.338 -4.653 3.124 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.505 -5.748 5.324 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.585 -6.869 5.241 1.00 0.86 C ATOM 1324 C GLY A 83 -17.066 -7.118 3.835 1.00 0.78 C ATOM 1325 O GLY A 83 -16.286 -8.045 3.615 1.00 0.93 O ATOM 0 H GLY A 83 -18.081 -4.864 5.606 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.740 -6.687 5.906 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.085 -7.768 5.601 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.491 -6.295 2.880 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.051 -6.446 1.499 1.00 0.78 C ATOM 1331 C ALA A 84 -15.580 -6.072 1.360 1.00 0.76 C ATOM 1332 O ALA A 84 -15.206 -4.912 1.532 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.910 -5.596 0.579 1.00 0.92 C ATOM 0 H ALA A 84 -18.136 -5.521 3.037 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.163 -7.491 1.211 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.571 -5.717 -0.450 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.950 -5.911 0.658 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.826 -4.548 0.868 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.745 -7.063 1.058 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.314 -6.832 0.910 1.00 0.40 C ATOM 1341 C ILE A 85 -12.968 -6.237 -0.448 1.00 0.38 C ATOM 1342 O ILE A 85 -13.097 -6.904 -1.474 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.505 -8.130 1.085 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.003 -7.826 1.051 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.876 -9.133 0.003 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.344 -7.898 2.411 1.00 0.79 C ATOM 0 H ILE A 85 -15.035 -8.030 0.912 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.048 -6.124 1.695 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.746 -8.567 2.054 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.512 -8.531 0.380 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.851 -6.830 0.634 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.296 -10.046 0.139 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.939 -9.365 0.071 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.659 -8.708 -0.977 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.282 -7.672 2.313 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.809 -7.173 3.079 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.465 -8.900 2.821 1.00 0.79 H new ATOM 1358 N SER A 86 -12.514 -4.986 -0.456 1.00 0.39 N ATOM 1359 CA SER A 86 -12.140 -4.342 -1.714 1.00 0.45 C ATOM 1360 C SER A 86 -10.844 -4.953 -2.243 1.00 0.44 C ATOM 1361 O SER A 86 -9.815 -4.919 -1.555 1.00 0.43 O ATOM 1362 CB SER A 86 -11.964 -2.831 -1.538 1.00 0.54 C ATOM 1363 OG SER A 86 -10.641 -2.503 -1.129 1.00 0.59 O ATOM 0 H SER A 86 -12.397 -4.407 0.376 1.00 0.39 H new ATOM 0 HA SER A 86 -12.945 -4.508 -2.430 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.191 -2.326 -2.477 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.676 -2.465 -0.798 1.00 0.54 H new ATOM 0 HG SER A 86 -10.674 -1.989 -0.295 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.871 -5.517 -3.468 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.697 -6.135 -4.082 1.00 0.61 C ATOM 1371 C PRO A 87 -8.419 -5.339 -3.836 1.00 0.54 C ATOM 1372 O PRO A 87 -8.471 -4.176 -3.434 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.055 -6.145 -5.564 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.536 -6.314 -5.576 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.050 -5.597 -4.352 1.00 0.59 C ATOM 0 HA PRO A 87 -9.486 -7.122 -3.671 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.755 -5.218 -6.053 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.556 -6.959 -6.090 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.969 -5.894 -6.484 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.808 -7.369 -5.552 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.432 -4.607 -4.600 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.866 -6.145 -3.881 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.251 -5.958 -4.072 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.955 -5.312 -3.870 1.00 0.56 C ATOM 1385 C PRO A 88 -5.605 -4.330 -4.976 1.00 0.48 C ATOM 1386 O PRO A 88 -5.676 -4.658 -6.161 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.952 -6.479 -3.871 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.766 -7.729 -3.960 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.091 -7.337 -4.545 1.00 0.72 C ATOM 0 HA PRO A 88 -5.950 -4.725 -2.952 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.265 -6.401 -4.714 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.347 -6.473 -2.965 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.270 -8.471 -4.586 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.895 -8.178 -2.975 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.087 -7.395 -5.633 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.896 -7.982 -4.194 1.00 0.72 H new ATOM 1397 N SER A 89 -5.211 -3.126 -4.580 1.00 0.43 N ATOM 1398 CA SER A 89 -4.829 -2.099 -5.534 1.00 0.42 C ATOM 1399 C SER A 89 -3.433 -2.394 -6.066 1.00 0.35 C ATOM 1400 O SER A 89 -2.519 -2.675 -5.288 1.00 0.51 O ATOM 1401 CB SER A 89 -4.863 -0.718 -4.877 1.00 0.56 C ATOM 1402 OG SER A 89 -5.905 0.079 -5.415 1.00 1.28 O ATOM 0 H SER A 89 -5.148 -2.839 -3.603 1.00 0.43 H new ATOM 0 HA SER A 89 -5.538 -2.101 -6.362 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.003 -0.827 -3.802 1.00 0.56 H new ATOM 0 HB3 SER A 89 -3.906 -0.218 -5.025 1.00 0.56 H new ATOM 0 HG SER A 89 -5.651 1.024 -5.369 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.286 -2.339 -7.395 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.008 -2.610 -8.070 1.00 0.37 C ATOM 1410 C GLU A 90 -0.801 -2.170 -7.232 1.00 0.34 C ATOM 1411 O GLU A 90 -0.665 -0.994 -6.904 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.982 -1.908 -9.429 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.442 -2.793 -10.578 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.614 -2.027 -11.875 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -3.326 -1.001 -11.869 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -2.038 -2.454 -12.897 1.00 1.76 O ATOM 0 H GLU A 90 -4.047 -2.106 -8.033 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.932 -3.689 -8.206 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.618 -1.024 -9.385 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.968 -1.562 -9.631 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.717 -3.593 -10.727 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.388 -3.265 -10.311 1.00 0.90 H new ATOM 1423 N PRO A 91 0.091 -3.111 -6.870 1.00 0.30 N ATOM 1424 CA PRO A 91 1.277 -2.803 -6.063 1.00 0.29 C ATOM 1425 C PRO A 91 2.110 -1.662 -6.632 1.00 0.31 C ATOM 1426 O PRO A 91 2.155 -1.448 -7.843 1.00 0.55 O ATOM 1427 CB PRO A 91 2.083 -4.101 -6.095 1.00 0.36 C ATOM 1428 CG PRO A 91 1.078 -5.169 -6.348 1.00 0.36 C ATOM 1429 CD PRO A 91 0.015 -4.546 -7.209 1.00 0.39 C ATOM 0 HA PRO A 91 0.995 -2.475 -5.063 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.840 -4.077 -6.879 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.605 -4.265 -5.153 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.534 -6.023 -6.849 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.656 -5.536 -5.413 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.205 -4.718 -8.268 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.970 -4.958 -6.991 1.00 0.39 H new ATOM 1437 N SER A 92 2.779 -0.943 -5.739 1.00 0.27 N ATOM 1438 CA SER A 92 3.629 0.166 -6.119 1.00 0.31 C ATOM 1439 C SER A 92 5.009 -0.361 -6.475 1.00 0.27 C ATOM 1440 O SER A 92 5.500 -1.300 -5.839 1.00 0.24 O ATOM 1441 CB SER A 92 3.717 1.187 -4.973 1.00 0.39 C ATOM 1442 OG SER A 92 5.039 1.668 -4.788 1.00 1.23 O ATOM 0 H SER A 92 2.744 -1.116 -4.734 1.00 0.27 H new ATOM 0 HA SER A 92 3.204 0.670 -6.987 1.00 0.31 H new ATOM 0 HB2 SER A 92 3.053 2.025 -5.183 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.367 0.726 -4.049 1.00 0.39 H new ATOM 0 HG SER A 92 5.335 2.131 -5.599 1.00 1.23 H new ATOM 1448 N ASP A 93 5.617 0.251 -7.495 1.00 0.33 N ATOM 1449 CA ASP A 93 6.946 -0.132 -7.976 1.00 0.36 C ATOM 1450 C ASP A 93 7.856 -0.591 -6.844 1.00 0.32 C ATOM 1451 O ASP A 93 7.845 -0.025 -5.753 1.00 0.56 O ATOM 1452 CB ASP A 93 7.596 1.039 -8.714 1.00 0.45 C ATOM 1453 CG ASP A 93 7.904 0.716 -10.163 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.990 0.159 -10.429 1.00 1.55 O ATOM 1455 OD2 ASP A 93 7.061 1.024 -11.032 1.00 1.63 O ATOM 0 H ASP A 93 5.201 1.027 -8.011 1.00 0.33 H new ATOM 0 HA ASP A 93 6.813 -0.972 -8.658 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.933 1.903 -8.671 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.518 1.318 -8.204 1.00 0.45 H new ATOM 1460 N ALA A 94 8.643 -1.621 -7.119 1.00 0.33 N ATOM 1461 CA ALA A 94 9.562 -2.161 -6.131 1.00 0.28 C ATOM 1462 C ALA A 94 10.756 -1.233 -5.942 1.00 0.29 C ATOM 1463 O ALA A 94 11.576 -1.073 -6.846 1.00 0.41 O ATOM 1464 CB ALA A 94 10.037 -3.541 -6.552 1.00 0.34 C ATOM 0 H ALA A 94 8.663 -2.099 -8.020 1.00 0.33 H new ATOM 0 HA ALA A 94 9.033 -2.243 -5.181 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.725 -3.933 -5.803 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.180 -4.209 -6.643 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.547 -3.473 -7.513 1.00 0.34 H new ATOM 1470 N ILE A 95 10.851 -0.621 -4.767 1.00 0.25 N ATOM 1471 CA ILE A 95 11.948 0.290 -4.471 1.00 0.28 C ATOM 1472 C ILE A 95 13.040 -0.400 -3.663 1.00 0.26 C ATOM 1473 O ILE A 95 12.805 -0.850 -2.541 1.00 0.25 O ATOM 1474 CB ILE A 95 11.456 1.532 -3.707 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.364 2.238 -4.508 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.615 2.479 -3.431 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.967 1.792 -4.149 1.00 0.44 C ATOM 0 H ILE A 95 10.182 -0.739 -4.006 1.00 0.25 H new ATOM 0 HA ILE A 95 12.362 0.606 -5.429 1.00 0.28 H new ATOM 0 HB ILE A 95 11.039 1.216 -2.751 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.445 3.313 -4.348 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.532 2.060 -5.570 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.250 3.352 -2.890 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.367 1.968 -2.830 1.00 0.41 H new ATOM 0 HG23 ILE A 95 13.059 2.796 -4.375 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.244 2.335 -4.757 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.867 0.723 -4.335 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.780 1.995 -3.095 1.00 0.44 H new ATOM 1489 N THR A 96 14.233 -0.479 -4.246 1.00 0.29 N ATOM 1490 CA THR A 96 15.370 -1.115 -3.591 1.00 0.32 C ATOM 1491 C THR A 96 15.536 -0.616 -2.161 1.00 0.32 C ATOM 1492 O THR A 96 16.045 -1.332 -1.302 1.00 0.38 O ATOM 1493 CB THR A 96 16.651 -0.854 -4.385 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.502 -1.269 -5.731 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.859 -1.565 -3.815 1.00 0.43 C ATOM 0 H THR A 96 14.437 -0.109 -5.174 1.00 0.29 H new ATOM 0 HA THR A 96 15.179 -2.188 -3.557 1.00 0.32 H new ATOM 0 HB THR A 96 16.817 0.221 -4.322 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.332 -1.092 -6.222 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.735 -1.339 -4.423 1.00 0.43 H new ATOM 0 HG22 THR A 96 18.031 -1.228 -2.793 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.683 -2.641 -3.818 1.00 0.43 H new ATOM 1503 N CYS A 97 15.106 0.615 -1.911 1.00 0.32 N ATOM 1504 CA CYS A 97 15.216 1.198 -0.580 1.00 0.36 C ATOM 1505 C CYS A 97 16.664 1.159 -0.099 1.00 0.43 C ATOM 1506 O CYS A 97 16.970 0.559 0.932 1.00 0.64 O ATOM 1507 CB CYS A 97 14.313 0.446 0.401 1.00 0.38 C ATOM 1508 SG CYS A 97 12.621 1.080 0.478 1.00 1.10 S ATOM 0 H CYS A 97 14.680 1.226 -2.608 1.00 0.32 H new ATOM 0 HA CYS A 97 14.895 2.238 -0.628 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.283 -0.606 0.118 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.754 0.496 1.396 1.00 0.38 H new ATOM 0 HG CYS A 97 11.934 0.380 1.331 1.00 1.10 H new ATOM 1514 N ARG A 98 17.551 1.799 -0.855 1.00 0.53 N ATOM 1515 CA ARG A 98 18.970 1.834 -0.509 1.00 0.63 C ATOM 1516 C ARG A 98 19.493 3.262 -0.470 1.00 0.80 C ATOM 1517 O ARG A 98 20.247 3.637 0.428 1.00 1.04 O ATOM 1518 CB ARG A 98 19.788 1.007 -1.505 1.00 0.68 C ATOM 1519 CG ARG A 98 19.285 1.082 -2.939 1.00 0.74 C ATOM 1520 CD ARG A 98 19.867 2.278 -3.673 1.00 0.92 C ATOM 1521 NE ARG A 98 20.755 1.872 -4.758 1.00 1.64 N ATOM 1522 CZ ARG A 98 20.346 1.204 -5.831 1.00 2.31 C ATOM 1523 NH1 ARG A 98 19.071 0.868 -5.961 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.215 0.869 -6.777 1.00 2.68 N ATOM 0 H ARG A 98 17.313 2.300 -1.711 1.00 0.53 H new ATOM 0 HA ARG A 98 19.078 1.401 0.486 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.824 1.345 -1.477 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.784 -0.035 -1.185 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.550 0.166 -3.467 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.197 1.147 -2.941 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.057 2.886 -4.075 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.416 2.904 -2.969 1.00 0.92 H new ATOM 0 HE ARG A 98 21.743 2.114 -4.689 1.00 1.64 H new ATOM 0 HH11 ARG A 98 18.400 1.122 -5.236 1.00 3.00 H new ATOM 0 HH12 ARG A 98 18.760 0.355 -6.786 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.198 1.124 -6.680 1.00 2.68 H new ATOM 0 HH22 ARG A 98 20.900 0.356 -7.600 1.00 2.68 H new ATOM 1538 N ASP A 99 19.087 4.049 -1.450 1.00 0.92 N ATOM 1539 CA ASP A 99 19.509 5.444 -1.539 1.00 1.20 C ATOM 1540 C ASP A 99 18.327 6.393 -1.395 1.00 1.03 C ATOM 1541 O ASP A 99 18.386 7.538 -1.842 1.00 1.20 O ATOM 1542 CB ASP A 99 20.225 5.698 -2.866 1.00 1.61 C ATOM 1543 CG ASP A 99 19.308 5.523 -4.060 1.00 1.71 C ATOM 1544 OD1 ASP A 99 19.011 4.363 -4.415 1.00 2.14 O ATOM 1545 OD2 ASP A 99 18.888 6.546 -4.640 1.00 2.08 O ATOM 0 H ASP A 99 18.464 3.749 -2.200 1.00 0.92 H new ATOM 0 HA ASP A 99 20.198 5.636 -0.717 1.00 1.20 H new ATOM 0 HB2 ASP A 99 20.631 6.709 -2.869 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.069 5.015 -2.957 1.00 1.61 H new ATOM 1550 N ASP A 100 17.254 5.905 -0.769 1.00 0.85 N ATOM 1551 CA ASP A 100 16.032 6.689 -0.557 1.00 0.92 C ATOM 1552 C ASP A 100 15.745 7.593 -1.740 1.00 1.22 C ATOM 1553 O ASP A 100 15.458 8.779 -1.595 1.00 1.38 O ATOM 1554 CB ASP A 100 16.116 7.503 0.734 1.00 0.87 C ATOM 1555 CG ASP A 100 17.422 8.263 0.855 1.00 1.32 C ATOM 1556 OD1 ASP A 100 18.479 7.611 0.988 1.00 2.06 O ATOM 1557 OD2 ASP A 100 17.388 9.511 0.815 1.00 2.03 O ATOM 0 H ASP A 100 17.206 4.957 -0.395 1.00 0.85 H new ATOM 0 HA ASP A 100 15.205 5.985 -0.462 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.285 8.207 0.771 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.007 6.835 1.589 1.00 0.87 H new