USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 71 LYS NZ :NH3+ -147:sc= 0.982 (180deg=-2.09!) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.668 K(o=1.6,f=-11!) USER MOD Set 2.1: A 1 MET N :NH3+ 154:sc= 1.12 (180deg=0) USER MOD Set 2.2: A 32 GLN : amide:sc= 0.654 K(o=1.8,f=-4.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.357 K(o=-0.36,f=-4.1!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 6 ASN : amide:sc= 0.26 X(o=0.26,f=-0.08) USER MOD Single : A 8 GLN : amide:sc= 0.369 K(o=0.37,f=-0.62) USER MOD Single : A 12 MET CE :methyl 177:sc= -0.0525 (180deg=-0.056) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.469 USER MOD Single : A 17 CYS SG : rot 180:sc= 0.0157 USER MOD Single : A 19 SER OG : rot 69:sc= 1.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 48:sc= 1.28 USER MOD Single : A 34 CYS SG : rot 170:sc= -0.0906 USER MOD Single : A 35 GLN : amide:sc= 0.735 K(o=0.74,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.088 K(o=0.088,f=-4!) USER MOD Single : A 42 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 46 SER OG : rot 78:sc= 1.27 USER MOD Single : A 47 TYR OH : rot 128:sc= 1.18 USER MOD Single : A 48 HIS : no HD1:sc= -0.246 K(o=-0.25,f=-2.6!) USER MOD Single : A 51 THR OG1 : rot 52:sc= 0.304 USER MOD Single : A 52 THR OG1 : rot -170:sc= 1.24 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -19:sc= 0.402 USER MOD Single : A 66 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-2.8!) USER MOD Single : A 72 GLN : amide:sc= 0.802 K(o=0.8,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.066 -16.069 -5.783 1.00 7.71 N ATOM 2 CA MET A 1 -4.743 -15.538 -7.125 1.00 5.83 C ATOM 3 C MET A 1 -5.828 -14.543 -7.496 1.00 4.20 C ATOM 4 O MET A 1 -6.981 -14.818 -7.188 1.00 4.93 O ATOM 5 CB MET A 1 -4.631 -16.667 -8.160 1.00 6.05 C ATOM 6 CG MET A 1 -4.202 -16.166 -9.544 1.00 6.00 C ATOM 7 SD MET A 1 -4.106 -17.458 -10.809 1.00 6.36 S ATOM 8 CE MET A 1 -2.582 -18.322 -10.343 1.00 7.85 C ATOM 0 H1 MET A 1 -4.649 -17.016 -5.675 1.00 7.71 H new ATOM 0 H2 MET A 1 -4.678 -15.435 -5.056 1.00 7.71 H new ATOM 0 H3 MET A 1 -6.098 -16.131 -5.673 1.00 7.71 H new ATOM 0 HA MET A 1 -3.772 -15.043 -7.113 1.00 5.83 H new ATOM 0 HB2 MET A 1 -3.912 -17.406 -7.808 1.00 6.05 H new ATOM 0 HB3 MET A 1 -5.593 -17.173 -8.244 1.00 6.05 H new ATOM 0 HG2 MET A 1 -4.905 -15.402 -9.875 1.00 6.00 H new ATOM 0 HG3 MET A 1 -3.227 -15.686 -9.457 1.00 6.00 H new ATOM 0 HE1 MET A 1 -2.401 -19.142 -11.038 1.00 7.85 H new ATOM 0 HE2 MET A 1 -1.744 -17.626 -10.377 1.00 7.85 H new ATOM 0 HE3 MET A 1 -2.683 -18.719 -9.333 1.00 7.85 H new ATOM 20 N ALA A 2 -5.466 -13.418 -8.119 1.00 2.98 N ATOM 21 CA ALA A 2 -6.338 -12.287 -8.460 1.00 2.86 C ATOM 22 C ALA A 2 -5.533 -11.246 -9.271 1.00 2.04 C ATOM 23 O ALA A 2 -4.399 -11.521 -9.663 1.00 2.10 O ATOM 24 CB ALA A 2 -6.926 -11.686 -7.167 1.00 4.53 C ATOM 0 H ALA A 2 -4.503 -13.262 -8.416 1.00 2.98 H new ATOM 0 HA ALA A 2 -7.171 -12.619 -9.080 1.00 2.86 H new ATOM 0 HB1 ALA A 2 -7.574 -10.846 -7.418 1.00 4.53 H new ATOM 0 HB2 ALA A 2 -7.505 -12.446 -6.643 1.00 4.53 H new ATOM 0 HB3 ALA A 2 -6.116 -11.340 -6.525 1.00 4.53 H new ATOM 30 N GLN A 3 -6.083 -10.044 -9.458 1.00 1.95 N ATOM 31 CA GLN A 3 -5.355 -8.869 -9.954 1.00 1.29 C ATOM 32 C GLN A 3 -4.432 -8.321 -8.849 1.00 1.10 C ATOM 33 O GLN A 3 -4.794 -8.400 -7.676 1.00 1.43 O ATOM 34 CB GLN A 3 -6.404 -7.830 -10.416 1.00 1.71 C ATOM 35 CG GLN A 3 -5.915 -6.385 -10.631 1.00 2.88 C ATOM 36 CD GLN A 3 -4.768 -6.234 -11.628 1.00 4.57 C ATOM 37 OE1 GLN A 3 -4.187 -7.190 -12.116 1.00 4.90 O ATOM 38 NE2 GLN A 3 -4.373 -5.023 -11.946 1.00 6.08 N ATOM 0 H GLN A 3 -7.067 -9.854 -9.266 1.00 1.95 H new ATOM 0 HA GLN A 3 -4.714 -9.123 -10.798 1.00 1.29 H new ATOM 0 HB2 GLN A 3 -6.839 -8.182 -11.351 1.00 1.71 H new ATOM 0 HB3 GLN A 3 -7.207 -7.809 -9.679 1.00 1.71 H new ATOM 0 HG2 GLN A 3 -6.755 -5.780 -10.972 1.00 2.88 H new ATOM 0 HG3 GLN A 3 -5.598 -5.978 -9.671 1.00 2.88 H new ATOM 0 HE21 GLN A 3 -4.846 -4.211 -11.548 1.00 6.08 H new ATOM 0 HE22 GLN A 3 -3.593 -4.894 -12.591 1.00 6.08 H new ATOM 47 N THR A 4 -3.271 -7.749 -9.209 1.00 1.17 N ATOM 48 CA THR A 4 -2.336 -7.046 -8.303 1.00 1.13 C ATOM 49 C THR A 4 -1.840 -5.756 -8.961 1.00 1.16 C ATOM 50 O THR A 4 -1.842 -5.629 -10.183 1.00 1.52 O ATOM 51 CB THR A 4 -1.148 -7.948 -7.890 1.00 1.13 C ATOM 52 OG1 THR A 4 -0.385 -7.253 -6.940 1.00 1.22 O ATOM 53 CG2 THR A 4 -0.237 -8.346 -9.052 1.00 1.34 C ATOM 0 H THR A 4 -2.942 -7.762 -10.174 1.00 1.17 H new ATOM 0 HA THR A 4 -2.877 -6.793 -7.391 1.00 1.13 H new ATOM 0 HB THR A 4 -1.569 -8.873 -7.495 1.00 1.13 H new ATOM 0 HG1 THR A 4 0.374 -7.807 -6.662 1.00 1.22 H new ATOM 0 HG21 THR A 4 0.571 -8.977 -8.681 1.00 1.34 H new ATOM 0 HG22 THR A 4 -0.815 -8.895 -9.796 1.00 1.34 H new ATOM 0 HG23 THR A 4 0.183 -7.450 -9.508 1.00 1.34 H new ATOM 61 N ILE A 5 -1.403 -4.796 -8.146 1.00 0.87 N ATOM 62 CA ILE A 5 -0.530 -3.706 -8.588 1.00 0.84 C ATOM 63 C ILE A 5 0.757 -3.727 -7.755 1.00 0.65 C ATOM 64 O ILE A 5 0.718 -3.873 -6.528 1.00 0.66 O ATOM 65 CB ILE A 5 -1.250 -2.332 -8.532 1.00 1.18 C ATOM 66 CG1 ILE A 5 -2.302 -2.191 -9.659 1.00 1.86 C ATOM 67 CG2 ILE A 5 -0.261 -1.159 -8.701 1.00 1.08 C ATOM 68 CD1 ILE A 5 -3.686 -2.756 -9.343 1.00 1.36 C ATOM 0 H ILE A 5 -1.645 -4.751 -7.156 1.00 0.87 H new ATOM 0 HA ILE A 5 -0.268 -3.857 -9.635 1.00 0.84 H new ATOM 0 HB ILE A 5 -1.727 -2.294 -7.552 1.00 1.18 H new ATOM 0 HG12 ILE A 5 -2.408 -1.134 -9.903 1.00 1.86 H new ATOM 0 HG13 ILE A 5 -1.921 -2.688 -10.551 1.00 1.86 H new ATOM 0 HG21 ILE A 5 -0.805 -0.215 -8.656 1.00 1.08 H new ATOM 0 HG22 ILE A 5 0.480 -1.190 -7.902 1.00 1.08 H new ATOM 0 HG23 ILE A 5 0.241 -1.243 -9.665 1.00 1.08 H new ATOM 0 HD11 ILE A 5 -4.345 -2.605 -10.198 1.00 1.36 H new ATOM 0 HD12 ILE A 5 -3.604 -3.822 -9.132 1.00 1.36 H new ATOM 0 HD13 ILE A 5 -4.098 -2.244 -8.473 1.00 1.36 H new ATOM 80 N ASN A 6 1.869 -3.504 -8.459 1.00 0.68 N ATOM 81 CA ASN A 6 3.181 -3.131 -7.931 1.00 0.59 C ATOM 82 C ASN A 6 3.616 -1.757 -8.481 1.00 0.53 C ATOM 83 O ASN A 6 3.410 -1.450 -9.660 1.00 0.76 O ATOM 84 CB ASN A 6 4.222 -4.216 -8.268 1.00 0.67 C ATOM 85 CG ASN A 6 4.091 -4.790 -9.678 1.00 0.96 C ATOM 86 OD1 ASN A 6 3.882 -5.977 -9.855 1.00 2.39 O ATOM 87 ND2 ASN A 6 4.125 -3.983 -10.722 1.00 1.21 N ATOM 0 H ASN A 6 1.877 -3.584 -9.476 1.00 0.68 H new ATOM 0 HA ASN A 6 3.111 -3.052 -6.846 1.00 0.59 H new ATOM 0 HB2 ASN A 6 5.221 -3.795 -8.150 1.00 0.67 H new ATOM 0 HB3 ASN A 6 4.131 -5.028 -7.547 1.00 0.67 H new ATOM 0 HD21 ASN A 6 3.977 -4.356 -11.660 1.00 1.21 H new ATOM 0 HD22 ASN A 6 4.299 -2.987 -10.591 1.00 1.21 H new ATOM 94 N LEU A 7 4.229 -0.937 -7.628 1.00 0.46 N ATOM 95 CA LEU A 7 4.576 0.468 -7.867 1.00 0.47 C ATOM 96 C LEU A 7 5.622 0.942 -6.844 1.00 0.48 C ATOM 97 O LEU A 7 6.004 0.181 -5.964 1.00 0.48 O ATOM 98 CB LEU A 7 3.286 1.320 -7.906 1.00 0.52 C ATOM 99 CG LEU A 7 2.574 1.647 -6.573 1.00 0.53 C ATOM 100 CD1 LEU A 7 1.219 2.285 -6.900 1.00 0.59 C ATOM 101 CD2 LEU A 7 2.334 0.449 -5.643 1.00 0.56 C ATOM 0 H LEU A 7 4.513 -1.250 -6.700 1.00 0.46 H new ATOM 0 HA LEU A 7 5.050 0.588 -8.841 1.00 0.47 H new ATOM 0 HB2 LEU A 7 3.528 2.265 -8.392 1.00 0.52 H new ATOM 0 HB3 LEU A 7 2.569 0.806 -8.547 1.00 0.52 H new ATOM 0 HG LEU A 7 3.245 2.313 -6.030 1.00 0.53 H new ATOM 0 HD11 LEU A 7 0.697 2.525 -5.974 1.00 0.59 H new ATOM 0 HD12 LEU A 7 1.376 3.198 -7.475 1.00 0.59 H new ATOM 0 HD13 LEU A 7 0.619 1.587 -7.484 1.00 0.59 H new ATOM 0 HD21 LEU A 7 1.830 0.787 -4.738 1.00 0.56 H new ATOM 0 HD22 LEU A 7 1.712 -0.288 -6.152 1.00 0.56 H new ATOM 0 HD23 LEU A 7 3.290 -0.004 -5.379 1.00 0.56 H new ATOM 113 N GLN A 8 6.090 2.186 -6.930 1.00 0.50 N ATOM 114 CA GLN A 8 6.865 2.834 -5.869 1.00 0.47 C ATOM 115 C GLN A 8 5.962 3.731 -5.020 1.00 0.49 C ATOM 116 O GLN A 8 4.855 4.104 -5.415 1.00 0.58 O ATOM 117 CB GLN A 8 8.063 3.603 -6.459 1.00 0.50 C ATOM 118 CG GLN A 8 9.291 2.706 -6.665 1.00 0.57 C ATOM 119 CD GLN A 8 10.400 3.432 -7.429 1.00 0.73 C ATOM 120 OE1 GLN A 8 10.700 3.112 -8.565 1.00 1.09 O ATOM 121 NE2 GLN A 8 11.011 4.468 -6.887 1.00 0.91 N ATOM 0 H GLN A 8 5.941 2.780 -7.746 1.00 0.50 H new ATOM 0 HA GLN A 8 7.273 2.067 -5.210 1.00 0.47 H new ATOM 0 HB2 GLN A 8 7.774 4.043 -7.413 1.00 0.50 H new ATOM 0 HB3 GLN A 8 8.325 4.426 -5.795 1.00 0.50 H new ATOM 0 HG2 GLN A 8 9.670 2.380 -5.696 1.00 0.57 H new ATOM 0 HG3 GLN A 8 8.999 1.809 -7.212 1.00 0.57 H new ATOM 0 HE21 GLN A 8 10.779 4.757 -5.937 1.00 0.91 H new ATOM 0 HE22 GLN A 8 11.716 4.980 -7.418 1.00 0.91 H new ATOM 130 N LEU A 9 6.444 4.089 -3.832 1.00 0.47 N ATOM 131 CA LEU A 9 5.707 4.892 -2.873 1.00 0.55 C ATOM 132 C LEU A 9 6.472 6.184 -2.556 1.00 0.68 C ATOM 133 O LEU A 9 7.698 6.235 -2.600 1.00 1.20 O ATOM 134 CB LEU A 9 5.396 4.009 -1.647 1.00 0.53 C ATOM 135 CG LEU A 9 4.119 4.457 -0.919 1.00 0.86 C ATOM 136 CD1 LEU A 9 2.868 4.027 -1.694 1.00 2.09 C ATOM 137 CD2 LEU A 9 4.051 3.866 0.495 1.00 1.22 C ATOM 0 H LEU A 9 7.374 3.822 -3.508 1.00 0.47 H new ATOM 0 HA LEU A 9 4.752 5.229 -3.277 1.00 0.55 H new ATOM 0 HB2 LEU A 9 5.286 2.973 -1.966 1.00 0.53 H new ATOM 0 HB3 LEU A 9 6.237 4.042 -0.955 1.00 0.53 H new ATOM 0 HG LEU A 9 4.152 5.545 -0.854 1.00 0.86 H new ATOM 0 HD11 LEU A 9 1.977 4.356 -1.158 1.00 2.09 H new ATOM 0 HD12 LEU A 9 2.882 4.478 -2.686 1.00 2.09 H new ATOM 0 HD13 LEU A 9 2.854 2.941 -1.789 1.00 2.09 H new ATOM 0 HD21 LEU A 9 3.137 4.200 0.986 1.00 1.22 H new ATOM 0 HD22 LEU A 9 4.053 2.778 0.435 1.00 1.22 H new ATOM 0 HD23 LEU A 9 4.914 4.199 1.071 1.00 1.22 H new ATOM 149 N GLU A 10 5.734 7.244 -2.261 1.00 0.55 N ATOM 150 CA GLU A 10 6.178 8.631 -2.285 1.00 0.65 C ATOM 151 C GLU A 10 5.959 9.274 -0.918 1.00 0.64 C ATOM 152 O GLU A 10 4.963 9.000 -0.255 1.00 0.61 O ATOM 153 CB GLU A 10 5.355 9.329 -3.366 1.00 0.89 C ATOM 154 CG GLU A 10 5.668 10.805 -3.578 1.00 1.64 C ATOM 155 CD GLU A 10 5.236 11.154 -4.994 1.00 2.07 C ATOM 156 OE1 GLU A 10 4.019 11.343 -5.181 1.00 3.18 O ATOM 157 OE2 GLU A 10 6.128 11.086 -5.876 1.00 2.85 O ATOM 0 H GLU A 10 4.757 7.155 -1.983 1.00 0.55 H new ATOM 0 HA GLU A 10 7.243 8.711 -2.505 1.00 0.65 H new ATOM 0 HB2 GLU A 10 5.507 8.804 -4.309 1.00 0.89 H new ATOM 0 HB3 GLU A 10 4.299 9.232 -3.114 1.00 0.89 H new ATOM 0 HG2 GLU A 10 5.138 11.420 -2.851 1.00 1.64 H new ATOM 0 HG3 GLU A 10 6.732 10.997 -3.442 1.00 1.64 H new ATOM 164 N GLY A 11 6.920 10.074 -0.452 1.00 1.11 N ATOM 165 CA GLY A 11 6.950 10.588 0.924 1.00 1.35 C ATOM 166 C GLY A 11 7.349 9.535 1.967 1.00 1.20 C ATOM 167 O GLY A 11 7.694 9.911 3.083 1.00 1.52 O ATOM 0 H GLY A 11 7.706 10.387 -1.021 1.00 1.11 H new ATOM 0 HA2 GLY A 11 7.650 11.422 0.976 1.00 1.35 H new ATOM 0 HA3 GLY A 11 5.966 10.982 1.177 1.00 1.35 H new ATOM 171 N MET A 12 7.344 8.243 1.599 1.00 1.09 N ATOM 172 CA MET A 12 7.586 7.086 2.476 1.00 1.28 C ATOM 173 C MET A 12 8.926 7.151 3.228 1.00 1.35 C ATOM 174 O MET A 12 9.971 6.769 2.710 1.00 2.22 O ATOM 175 CB MET A 12 7.344 5.781 1.693 1.00 1.93 C ATOM 176 CG MET A 12 8.386 5.429 0.619 1.00 2.04 C ATOM 177 SD MET A 12 9.540 4.097 1.057 1.00 2.55 S ATOM 178 CE MET A 12 8.429 2.668 0.947 1.00 3.89 C ATOM 0 H MET A 12 7.162 7.964 0.635 1.00 1.09 H new ATOM 0 HA MET A 12 6.860 7.110 3.288 1.00 1.28 H new ATOM 0 HB2 MET A 12 7.296 4.958 2.406 1.00 1.93 H new ATOM 0 HB3 MET A 12 6.367 5.845 1.214 1.00 1.93 H new ATOM 0 HG2 MET A 12 7.861 5.146 -0.293 1.00 2.04 H new ATOM 0 HG3 MET A 12 8.963 6.325 0.390 1.00 2.04 H new ATOM 0 HE1 MET A 12 8.992 1.754 1.135 1.00 3.89 H new ATOM 0 HE2 MET A 12 7.636 2.765 1.689 1.00 3.89 H new ATOM 0 HE3 MET A 12 7.990 2.625 -0.050 1.00 3.89 H new ATOM 188 N ARG A 13 8.918 7.699 4.443 1.00 1.23 N ATOM 189 CA ARG A 13 10.113 8.004 5.238 1.00 1.53 C ATOM 190 C ARG A 13 9.737 8.034 6.725 1.00 1.56 C ATOM 191 O ARG A 13 8.862 8.802 7.115 1.00 2.98 O ATOM 192 CB ARG A 13 10.704 9.380 4.837 1.00 2.05 C ATOM 193 CG ARG A 13 11.147 9.600 3.375 1.00 2.86 C ATOM 194 CD ARG A 13 12.339 8.753 2.904 1.00 4.49 C ATOM 195 NE ARG A 13 12.694 9.068 1.504 1.00 5.25 N ATOM 196 CZ ARG A 13 12.228 8.481 0.399 1.00 6.44 C ATOM 197 NH1 ARG A 13 11.369 7.488 0.390 1.00 7.20 N ATOM 198 NH2 ARG A 13 12.616 8.883 -0.788 1.00 7.38 N ATOM 0 H ARG A 13 8.052 7.952 4.919 1.00 1.23 H new ATOM 0 HA ARG A 13 10.861 7.233 5.052 1.00 1.53 H new ATOM 0 HB2 ARG A 13 9.961 10.141 5.075 1.00 2.05 H new ATOM 0 HB3 ARG A 13 11.567 9.567 5.475 1.00 2.05 H new ATOM 0 HG2 ARG A 13 10.298 9.394 2.723 1.00 2.86 H new ATOM 0 HG3 ARG A 13 11.400 10.652 3.246 1.00 2.86 H new ATOM 0 HD2 ARG A 13 13.197 8.936 3.550 1.00 4.49 H new ATOM 0 HD3 ARG A 13 12.094 7.694 2.991 1.00 4.49 H new ATOM 0 HE ARG A 13 13.371 9.818 1.367 1.00 5.25 H new ATOM 0 HH11 ARG A 13 11.012 7.114 1.269 1.00 7.20 H new ATOM 0 HH12 ARG A 13 11.058 7.090 -0.496 1.00 7.20 H new ATOM 0 HH21 ARG A 13 13.281 9.652 -0.874 1.00 7.38 H new ATOM 0 HH22 ARG A 13 12.253 8.427 -1.625 1.00 7.38 H new ATOM 212 N CYS A 14 10.445 7.243 7.541 1.00 1.64 N ATOM 213 CA CYS A 14 10.388 7.217 9.018 1.00 1.70 C ATOM 214 C CYS A 14 9.011 6.800 9.604 1.00 1.79 C ATOM 215 O CYS A 14 8.118 6.381 8.876 1.00 2.65 O ATOM 216 CB CYS A 14 10.890 8.579 9.546 1.00 2.17 C ATOM 217 SG CYS A 14 11.601 8.402 11.210 1.00 3.44 S ATOM 0 H CYS A 14 11.112 6.564 7.173 1.00 1.64 H new ATOM 0 HA CYS A 14 11.046 6.423 9.371 1.00 1.70 H new ATOM 0 HB2 CYS A 14 11.640 8.984 8.866 1.00 2.17 H new ATOM 0 HB3 CYS A 14 10.065 9.291 9.572 1.00 2.17 H new ATOM 0 HG CYS A 14 12.017 9.560 11.629 1.00 3.44 H new ATOM 223 N ALA A 15 8.858 6.903 10.930 1.00 2.08 N ATOM 224 CA ALA A 15 7.650 6.567 11.700 1.00 2.71 C ATOM 225 C ALA A 15 7.197 5.094 11.539 1.00 1.94 C ATOM 226 O ALA A 15 7.871 4.265 10.934 1.00 2.37 O ATOM 227 CB ALA A 15 6.544 7.586 11.360 1.00 3.82 C ATOM 0 H ALA A 15 9.612 7.241 11.528 1.00 2.08 H new ATOM 0 HA ALA A 15 7.886 6.644 12.761 1.00 2.71 H new ATOM 0 HB1 ALA A 15 5.643 7.347 11.925 1.00 3.82 H new ATOM 0 HB2 ALA A 15 6.881 8.589 11.621 1.00 3.82 H new ATOM 0 HB3 ALA A 15 6.325 7.543 10.293 1.00 3.82 H new ATOM 233 N ALA A 16 6.027 4.764 12.097 1.00 1.95 N ATOM 234 CA ALA A 16 5.360 3.472 11.901 1.00 1.56 C ATOM 235 C ALA A 16 4.524 3.422 10.605 1.00 1.08 C ATOM 236 O ALA A 16 4.100 2.346 10.180 1.00 1.09 O ATOM 237 CB ALA A 16 4.489 3.199 13.136 1.00 2.22 C ATOM 0 H ALA A 16 5.509 5.397 12.707 1.00 1.95 H new ATOM 0 HA ALA A 16 6.117 2.696 11.788 1.00 1.56 H new ATOM 0 HB1 ALA A 16 3.980 2.243 13.018 1.00 2.22 H new ATOM 0 HB2 ALA A 16 5.118 3.168 14.025 1.00 2.22 H new ATOM 0 HB3 ALA A 16 3.750 3.993 13.243 1.00 2.22 H new ATOM 243 N CYS A 17 4.295 4.582 9.973 1.00 0.88 N ATOM 244 CA CYS A 17 3.432 4.809 8.818 1.00 0.76 C ATOM 245 C CYS A 17 3.570 3.782 7.685 1.00 0.62 C ATOM 246 O CYS A 17 2.546 3.419 7.113 1.00 0.69 O ATOM 247 CB CYS A 17 3.706 6.237 8.328 1.00 1.02 C ATOM 248 SG CYS A 17 3.107 7.439 9.546 1.00 1.86 S ATOM 0 H CYS A 17 4.743 5.445 10.282 1.00 0.88 H new ATOM 0 HA CYS A 17 2.398 4.681 9.138 1.00 0.76 H new ATOM 0 HB2 CYS A 17 4.775 6.375 8.165 1.00 1.02 H new ATOM 0 HB3 CYS A 17 3.213 6.402 7.370 1.00 1.02 H new ATOM 0 HG CYS A 17 3.347 8.644 9.121 1.00 1.86 H new ATOM 254 N ALA A 18 4.772 3.270 7.388 1.00 0.69 N ATOM 255 CA ALA A 18 4.985 2.337 6.275 1.00 0.75 C ATOM 256 C ALA A 18 4.304 0.975 6.501 1.00 0.63 C ATOM 257 O ALA A 18 3.384 0.623 5.774 1.00 0.62 O ATOM 258 CB ALA A 18 6.491 2.204 6.027 1.00 0.99 C ATOM 0 H ALA A 18 5.620 3.490 7.910 1.00 0.69 H new ATOM 0 HA ALA A 18 4.509 2.741 5.381 1.00 0.75 H new ATOM 0 HB1 ALA A 18 6.664 1.513 5.202 1.00 0.99 H new ATOM 0 HB2 ALA A 18 6.906 3.180 5.776 1.00 0.99 H new ATOM 0 HB3 ALA A 18 6.976 1.824 6.926 1.00 0.99 H new ATOM 264 N SER A 19 4.672 0.226 7.541 1.00 0.65 N ATOM 265 CA SER A 19 3.994 -1.062 7.808 1.00 0.66 C ATOM 266 C SER A 19 2.594 -0.875 8.441 1.00 0.57 C ATOM 267 O SER A 19 1.732 -1.755 8.393 1.00 0.59 O ATOM 268 CB SER A 19 4.897 -1.992 8.616 1.00 0.92 C ATOM 269 OG SER A 19 4.601 -3.339 8.310 1.00 1.81 O ATOM 0 H SER A 19 5.412 0.470 8.200 1.00 0.65 H new ATOM 0 HA SER A 19 3.811 -1.546 6.849 1.00 0.66 H new ATOM 0 HB2 SER A 19 5.943 -1.781 8.393 1.00 0.92 H new ATOM 0 HB3 SER A 19 4.756 -1.813 9.682 1.00 0.92 H new ATOM 0 HG SER A 19 4.886 -3.536 7.393 1.00 1.81 H new ATOM 275 N SER A 20 2.295 0.328 8.942 1.00 0.56 N ATOM 276 CA SER A 20 0.922 0.764 9.227 1.00 0.56 C ATOM 277 C SER A 20 0.009 0.836 7.977 1.00 0.50 C ATOM 278 O SER A 20 -1.214 0.933 8.131 1.00 0.59 O ATOM 279 CB SER A 20 0.963 2.107 9.969 1.00 0.67 C ATOM 280 OG SER A 20 -0.334 2.561 10.307 1.00 1.34 O ATOM 0 H SER A 20 3.001 1.030 9.163 1.00 0.56 H new ATOM 0 HA SER A 20 0.467 0.001 9.859 1.00 0.56 H new ATOM 0 HB2 SER A 20 1.559 2.003 10.875 1.00 0.67 H new ATOM 0 HB3 SER A 20 1.458 2.852 9.345 1.00 0.67 H new ATOM 0 HG SER A 20 -0.268 3.417 10.779 1.00 1.34 H new ATOM 286 N ILE A 21 0.553 0.781 6.751 1.00 0.45 N ATOM 287 CA ILE A 21 -0.201 0.442 5.526 1.00 0.47 C ATOM 288 C ILE A 21 -0.557 -1.049 5.574 1.00 0.52 C ATOM 289 O ILE A 21 -1.722 -1.402 5.754 1.00 0.63 O ATOM 290 CB ILE A 21 0.599 0.815 4.244 1.00 0.57 C ATOM 291 CG1 ILE A 21 0.830 2.341 4.160 1.00 0.58 C ATOM 292 CG2 ILE A 21 -0.106 0.294 2.981 1.00 0.73 C ATOM 293 CD1 ILE A 21 1.946 2.755 3.196 1.00 0.75 C ATOM 0 H ILE A 21 1.540 0.972 6.577 1.00 0.45 H new ATOM 0 HA ILE A 21 -1.120 1.026 5.484 1.00 0.47 H new ATOM 0 HB ILE A 21 1.574 0.331 4.306 1.00 0.57 H new ATOM 0 HG12 ILE A 21 -0.098 2.821 3.851 1.00 0.58 H new ATOM 0 HG13 ILE A 21 1.067 2.717 5.155 1.00 0.58 H new ATOM 0 HG21 ILE A 21 0.475 0.569 2.101 1.00 0.73 H new ATOM 0 HG22 ILE A 21 -0.193 -0.791 3.034 1.00 0.73 H new ATOM 0 HG23 ILE A 21 -1.101 0.735 2.912 1.00 0.73 H new ATOM 0 HD11 ILE A 21 2.043 3.841 3.196 1.00 0.75 H new ATOM 0 HD12 ILE A 21 2.887 2.307 3.515 1.00 0.75 H new ATOM 0 HD13 ILE A 21 1.703 2.413 2.190 1.00 0.75 H new ATOM 305 N GLU A 22 0.457 -1.914 5.495 1.00 0.49 N ATOM 306 CA GLU A 22 0.332 -3.371 5.354 1.00 0.54 C ATOM 307 C GLU A 22 -0.651 -3.971 6.371 1.00 0.57 C ATOM 308 O GLU A 22 -1.590 -4.670 5.985 1.00 0.58 O ATOM 309 CB GLU A 22 1.727 -4.022 5.491 1.00 0.61 C ATOM 310 CG GLU A 22 2.709 -3.542 4.407 1.00 0.66 C ATOM 311 CD GLU A 22 4.157 -3.990 4.640 1.00 0.88 C ATOM 312 OE1 GLU A 22 4.670 -3.694 5.746 1.00 1.98 O ATOM 313 OE2 GLU A 22 4.755 -4.555 3.691 1.00 1.87 O ATOM 0 H GLU A 22 1.429 -1.608 5.529 1.00 0.49 H new ATOM 0 HA GLU A 22 -0.075 -3.581 4.365 1.00 0.54 H new ATOM 0 HB2 GLU A 22 2.136 -3.793 6.475 1.00 0.61 H new ATOM 0 HB3 GLU A 22 1.626 -5.106 5.432 1.00 0.61 H new ATOM 0 HG2 GLU A 22 2.375 -3.913 3.438 1.00 0.66 H new ATOM 0 HG3 GLU A 22 2.679 -2.453 4.359 1.00 0.66 H new ATOM 320 N ARG A 23 -0.490 -3.640 7.658 1.00 0.64 N ATOM 321 CA ARG A 23 -1.313 -4.158 8.754 1.00 0.77 C ATOM 322 C ARG A 23 -2.715 -3.535 8.840 1.00 0.79 C ATOM 323 O ARG A 23 -3.580 -4.047 9.552 1.00 0.88 O ATOM 324 CB ARG A 23 -0.530 -3.984 10.059 1.00 1.02 C ATOM 325 CG ARG A 23 -1.085 -4.897 11.164 1.00 1.32 C ATOM 326 CD ARG A 23 -0.115 -5.061 12.335 1.00 1.77 C ATOM 327 NE ARG A 23 -0.679 -5.993 13.327 1.00 2.00 N ATOM 328 CZ ARG A 23 -0.080 -6.445 14.423 1.00 2.67 C ATOM 329 NH1 ARG A 23 1.133 -6.060 14.763 1.00 3.75 N ATOM 330 NH2 ARG A 23 -0.707 -7.308 15.195 1.00 2.83 N ATOM 0 H ARG A 23 0.232 -2.991 7.971 1.00 0.64 H new ATOM 0 HA ARG A 23 -1.507 -5.213 8.561 1.00 0.77 H new ATOM 0 HB2 ARG A 23 0.522 -4.213 9.889 1.00 1.02 H new ATOM 0 HB3 ARG A 23 -0.582 -2.944 10.382 1.00 1.02 H new ATOM 0 HG2 ARG A 23 -2.025 -4.486 11.531 1.00 1.32 H new ATOM 0 HG3 ARG A 23 -1.308 -5.877 10.742 1.00 1.32 H new ATOM 0 HD2 ARG A 23 0.843 -5.436 11.975 1.00 1.77 H new ATOM 0 HD3 ARG A 23 0.075 -4.093 12.799 1.00 1.77 H new ATOM 0 HE ARG A 23 -1.628 -6.326 13.154 1.00 2.00 H new ATOM 0 HH11 ARG A 23 1.640 -5.396 14.178 1.00 3.75 H new ATOM 0 HH12 ARG A 23 1.565 -6.426 15.611 1.00 3.75 H new ATOM 0 HH21 ARG A 23 -1.645 -7.624 14.949 1.00 2.83 H new ATOM 0 HH22 ARG A 23 -0.255 -7.660 16.039 1.00 2.83 H new ATOM 344 N ALA A 24 -2.952 -2.414 8.157 1.00 0.76 N ATOM 345 CA ALA A 24 -4.301 -1.885 7.936 1.00 0.83 C ATOM 346 C ALA A 24 -5.004 -2.584 6.759 1.00 0.79 C ATOM 347 O ALA A 24 -6.162 -2.971 6.892 1.00 0.89 O ATOM 348 CB ALA A 24 -4.222 -0.366 7.749 1.00 0.87 C ATOM 0 H ALA A 24 -2.214 -1.846 7.741 1.00 0.76 H new ATOM 0 HA ALA A 24 -4.914 -2.095 8.812 1.00 0.83 H new ATOM 0 HB1 ALA A 24 -5.223 0.033 7.584 1.00 0.87 H new ATOM 0 HB2 ALA A 24 -3.793 0.089 8.642 1.00 0.87 H new ATOM 0 HB3 ALA A 24 -3.594 -0.138 6.888 1.00 0.87 H new ATOM 354 N ILE A 25 -4.292 -2.833 5.654 1.00 0.69 N ATOM 355 CA ILE A 25 -4.810 -3.590 4.498 1.00 0.72 C ATOM 356 C ILE A 25 -5.093 -5.042 4.890 1.00 0.75 C ATOM 357 O ILE A 25 -6.096 -5.594 4.449 1.00 0.86 O ATOM 358 CB ILE A 25 -3.842 -3.509 3.296 1.00 0.70 C ATOM 359 CG1 ILE A 25 -3.664 -2.054 2.806 1.00 0.73 C ATOM 360 CG2 ILE A 25 -4.369 -4.392 2.147 1.00 0.85 C ATOM 361 CD1 ILE A 25 -2.550 -1.895 1.765 1.00 1.07 C ATOM 0 H ILE A 25 -3.331 -2.514 5.531 1.00 0.69 H new ATOM 0 HA ILE A 25 -5.751 -3.135 4.187 1.00 0.72 H new ATOM 0 HB ILE A 25 -2.867 -3.871 3.621 1.00 0.70 H new ATOM 0 HG12 ILE A 25 -4.604 -1.705 2.378 1.00 0.73 H new ATOM 0 HG13 ILE A 25 -3.446 -1.414 3.661 1.00 0.73 H new ATOM 0 HG21 ILE A 25 -3.685 -4.334 1.300 1.00 0.85 H new ATOM 0 HG22 ILE A 25 -4.440 -5.426 2.486 1.00 0.85 H new ATOM 0 HG23 ILE A 25 -5.355 -4.042 1.842 1.00 0.85 H new ATOM 0 HD11 ILE A 25 -2.479 -0.850 1.465 1.00 1.07 H new ATOM 0 HD12 ILE A 25 -1.601 -2.214 2.196 1.00 1.07 H new ATOM 0 HD13 ILE A 25 -2.777 -2.509 0.893 1.00 1.07 H new ATOM 373 N ALA A 26 -4.315 -5.610 5.814 1.00 0.70 N ATOM 374 CA ALA A 26 -4.569 -6.920 6.428 1.00 0.74 C ATOM 375 C ALA A 26 -5.983 -7.087 7.034 1.00 0.89 C ATOM 376 O ALA A 26 -6.380 -8.199 7.365 1.00 0.90 O ATOM 377 CB ALA A 26 -3.482 -7.163 7.481 1.00 0.75 C ATOM 0 H ALA A 26 -3.469 -5.162 6.166 1.00 0.70 H new ATOM 0 HA ALA A 26 -4.531 -7.669 5.637 1.00 0.74 H new ATOM 0 HB1 ALA A 26 -3.645 -8.131 7.955 1.00 0.75 H new ATOM 0 HB2 ALA A 26 -2.503 -7.154 7.002 1.00 0.75 H new ATOM 0 HB3 ALA A 26 -3.524 -6.378 8.236 1.00 0.75 H new ATOM 383 N LYS A 27 -6.749 -6.001 7.197 1.00 1.03 N ATOM 384 CA LYS A 27 -8.160 -6.033 7.603 1.00 1.23 C ATOM 385 C LYS A 27 -9.166 -6.024 6.432 1.00 1.30 C ATOM 386 O LYS A 27 -10.360 -6.190 6.673 1.00 1.47 O ATOM 387 CB LYS A 27 -8.442 -4.854 8.527 1.00 1.32 C ATOM 388 CG LYS A 27 -7.502 -4.840 9.739 1.00 1.48 C ATOM 389 CD LYS A 27 -8.103 -3.879 10.755 1.00 1.86 C ATOM 390 CE LYS A 27 -7.073 -3.475 11.813 1.00 2.30 C ATOM 391 NZ LYS A 27 -7.678 -2.554 12.806 1.00 3.46 N ATOM 0 H LYS A 27 -6.398 -5.055 7.047 1.00 1.03 H new ATOM 0 HA LYS A 27 -8.308 -6.985 8.113 1.00 1.23 H new ATOM 0 HB2 LYS A 27 -8.332 -3.923 7.971 1.00 1.32 H new ATOM 0 HB3 LYS A 27 -9.476 -4.900 8.870 1.00 1.32 H new ATOM 0 HG2 LYS A 27 -7.405 -5.839 10.163 1.00 1.48 H new ATOM 0 HG3 LYS A 27 -6.502 -4.518 9.448 1.00 1.48 H new ATOM 0 HD2 LYS A 27 -8.471 -2.989 10.244 1.00 1.86 H new ATOM 0 HD3 LYS A 27 -8.961 -4.347 11.239 1.00 1.86 H new ATOM 0 HE2 LYS A 27 -6.694 -4.364 12.317 1.00 2.30 H new ATOM 0 HE3 LYS A 27 -6.221 -2.993 11.334 1.00 2.30 H new ATOM 0 HZ1 LYS A 27 -6.964 -2.291 13.515 1.00 3.46 H new ATOM 0 HZ2 LYS A 27 -8.018 -1.698 12.323 1.00 3.46 H new ATOM 0 HZ3 LYS A 27 -8.476 -3.026 13.276 1.00 3.46 H new ATOM 405 N VAL A 28 -8.727 -5.774 5.195 1.00 1.21 N ATOM 406 CA VAL A 28 -9.587 -5.637 4.005 1.00 1.32 C ATOM 407 C VAL A 28 -9.891 -7.020 3.433 1.00 1.30 C ATOM 408 O VAL A 28 -8.951 -7.781 3.207 1.00 1.13 O ATOM 409 CB VAL A 28 -8.975 -4.670 2.942 1.00 1.30 C ATOM 410 CG1 VAL A 28 -8.177 -5.286 1.786 1.00 2.00 C ATOM 411 CG2 VAL A 28 -10.083 -3.810 2.309 1.00 1.99 C ATOM 0 H VAL A 28 -7.736 -5.657 4.983 1.00 1.21 H new ATOM 0 HA VAL A 28 -10.528 -5.177 4.306 1.00 1.32 H new ATOM 0 HB VAL A 28 -8.253 -4.106 3.533 1.00 1.30 H new ATOM 0 HG11 VAL A 28 -7.815 -4.494 1.131 1.00 2.00 H new ATOM 0 HG12 VAL A 28 -7.329 -5.842 2.185 1.00 2.00 H new ATOM 0 HG13 VAL A 28 -8.819 -5.961 1.220 1.00 2.00 H new ATOM 0 HG21 VAL A 28 -9.645 -3.139 1.569 1.00 1.99 H new ATOM 0 HG22 VAL A 28 -10.814 -4.457 1.824 1.00 1.99 H new ATOM 0 HG23 VAL A 28 -10.576 -3.223 3.084 1.00 1.99 H new ATOM 421 N PRO A 29 -11.162 -7.364 3.143 1.00 1.49 N ATOM 422 CA PRO A 29 -11.505 -8.703 2.677 1.00 1.50 C ATOM 423 C PRO A 29 -10.889 -9.043 1.310 1.00 1.38 C ATOM 424 O PRO A 29 -10.783 -10.217 0.971 1.00 2.37 O ATOM 425 CB PRO A 29 -13.038 -8.763 2.661 1.00 1.84 C ATOM 426 CG PRO A 29 -13.457 -7.300 2.536 1.00 1.97 C ATOM 427 CD PRO A 29 -12.370 -6.570 3.322 1.00 1.78 C ATOM 0 HA PRO A 29 -11.088 -9.458 3.343 1.00 1.50 H new ATOM 0 HB2 PRO A 29 -13.407 -9.358 1.825 1.00 1.84 H new ATOM 0 HB3 PRO A 29 -13.430 -9.215 3.572 1.00 1.84 H new ATOM 0 HG2 PRO A 29 -13.491 -6.976 1.496 1.00 1.97 H new ATOM 0 HG3 PRO A 29 -14.447 -7.125 2.957 1.00 1.97 H new ATOM 0 HD2 PRO A 29 -12.231 -5.555 2.950 1.00 1.78 H new ATOM 0 HD3 PRO A 29 -12.635 -6.490 4.376 1.00 1.78 H new ATOM 435 N GLY A 30 -10.430 -8.041 0.548 1.00 1.17 N ATOM 436 CA GLY A 30 -9.752 -8.241 -0.731 1.00 1.33 C ATOM 437 C GLY A 30 -8.267 -8.603 -0.641 1.00 0.96 C ATOM 438 O GLY A 30 -7.726 -8.982 -1.677 1.00 0.98 O ATOM 0 H GLY A 30 -10.522 -7.059 0.809 1.00 1.17 H new ATOM 0 HA2 GLY A 30 -10.268 -9.031 -1.276 1.00 1.33 H new ATOM 0 HA3 GLY A 30 -9.851 -7.330 -1.321 1.00 1.33 H new ATOM 442 N VAL A 31 -7.597 -8.469 0.514 1.00 0.76 N ATOM 443 CA VAL A 31 -6.153 -8.769 0.641 1.00 0.54 C ATOM 444 C VAL A 31 -5.904 -10.259 0.386 1.00 0.58 C ATOM 445 O VAL A 31 -6.408 -11.133 1.089 1.00 0.78 O ATOM 446 CB VAL A 31 -5.547 -8.344 2.003 1.00 0.59 C ATOM 447 CG1 VAL A 31 -6.020 -9.142 3.230 1.00 0.99 C ATOM 448 CG2 VAL A 31 -4.010 -8.384 1.948 1.00 0.81 C ATOM 0 H VAL A 31 -8.031 -8.153 1.381 1.00 0.76 H new ATOM 0 HA VAL A 31 -5.644 -8.171 -0.115 1.00 0.54 H new ATOM 0 HB VAL A 31 -5.919 -7.330 2.148 1.00 0.59 H new ATOM 0 HG11 VAL A 31 -5.531 -8.757 4.125 1.00 0.99 H new ATOM 0 HG12 VAL A 31 -7.100 -9.041 3.335 1.00 0.99 H new ATOM 0 HG13 VAL A 31 -5.765 -10.194 3.101 1.00 0.99 H new ATOM 0 HG21 VAL A 31 -3.603 -8.082 2.913 1.00 0.81 H new ATOM 0 HG22 VAL A 31 -3.680 -9.397 1.716 1.00 0.81 H new ATOM 0 HG23 VAL A 31 -3.656 -7.701 1.176 1.00 0.81 H new ATOM 458 N GLN A 32 -5.081 -10.544 -0.615 1.00 0.58 N ATOM 459 CA GLN A 32 -4.438 -11.840 -0.792 1.00 0.64 C ATOM 460 C GLN A 32 -2.909 -11.736 -0.677 1.00 0.66 C ATOM 461 O GLN A 32 -2.242 -12.766 -0.671 1.00 0.89 O ATOM 462 CB GLN A 32 -4.947 -12.493 -2.090 1.00 0.97 C ATOM 463 CG GLN A 32 -4.307 -11.984 -3.394 1.00 0.91 C ATOM 464 CD GLN A 32 -3.378 -13.038 -3.995 1.00 1.43 C ATOM 465 OE1 GLN A 32 -3.768 -13.861 -4.823 1.00 2.15 O ATOM 466 NE2 GLN A 32 -2.147 -13.131 -3.540 1.00 1.45 N ATOM 0 H GLN A 32 -4.837 -9.869 -1.340 1.00 0.58 H new ATOM 0 HA GLN A 32 -4.718 -12.510 0.021 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -4.781 -13.568 -2.022 1.00 0.97 H new ATOM 0 HB3 GLN A 32 -6.024 -12.340 -2.153 1.00 0.97 H new ATOM 0 HG2 GLN A 32 -5.087 -11.730 -4.111 1.00 0.91 H new ATOM 0 HG3 GLN A 32 -3.747 -11.070 -3.196 1.00 0.91 H new ATOM 0 HE21 GLN A 32 -1.805 -12.459 -2.853 1.00 1.45 H new ATOM 0 HE22 GLN A 32 -1.535 -13.875 -3.874 1.00 1.45 H new ATOM 475 N SER A 33 -2.341 -10.527 -0.558 1.00 0.62 N ATOM 476 CA SER A 33 -0.943 -10.266 -0.174 1.00 0.78 C ATOM 477 C SER A 33 -0.679 -8.760 -0.077 1.00 0.70 C ATOM 478 O SER A 33 -1.154 -8.007 -0.926 1.00 0.96 O ATOM 479 CB SER A 33 0.070 -10.874 -1.163 1.00 1.38 C ATOM 480 OG SER A 33 0.284 -12.251 -0.913 1.00 1.96 O ATOM 0 H SER A 33 -2.863 -9.668 -0.733 1.00 0.62 H new ATOM 0 HA SER A 33 -0.805 -10.742 0.797 1.00 0.78 H new ATOM 0 HB2 SER A 33 -0.292 -10.741 -2.182 1.00 1.38 H new ATOM 0 HB3 SER A 33 1.017 -10.339 -1.089 1.00 1.38 H new ATOM 0 HG SER A 33 -0.579 -12.703 -0.809 1.00 1.96 H new ATOM 486 N CYS A 34 0.137 -8.365 0.910 1.00 0.61 N ATOM 487 CA CYS A 34 0.786 -7.056 1.046 1.00 0.50 C ATOM 488 C CYS A 34 2.309 -7.253 1.029 1.00 0.57 C ATOM 489 O CYS A 34 2.777 -8.345 1.361 1.00 1.02 O ATOM 490 CB CYS A 34 0.410 -6.438 2.408 1.00 0.61 C ATOM 491 SG CYS A 34 -1.356 -6.068 2.522 1.00 1.02 S ATOM 0 H CYS A 34 0.375 -8.989 1.681 1.00 0.61 H new ATOM 0 HA CYS A 34 0.466 -6.408 0.230 1.00 0.50 H new ATOM 0 HB2 CYS A 34 0.688 -7.125 3.207 1.00 0.61 H new ATOM 0 HB3 CYS A 34 0.982 -5.523 2.561 1.00 0.61 H new ATOM 0 HG CYS A 34 -1.655 -5.754 3.748 1.00 1.02 H new ATOM 497 N GLN A 35 3.051 -6.193 0.704 1.00 0.52 N ATOM 498 CA GLN A 35 4.504 -6.043 0.808 1.00 0.57 C ATOM 499 C GLN A 35 4.869 -4.608 0.391 1.00 0.61 C ATOM 500 O GLN A 35 4.486 -4.183 -0.698 1.00 0.77 O ATOM 501 CB GLN A 35 5.207 -7.057 -0.122 1.00 0.77 C ATOM 502 CG GLN A 35 5.706 -8.330 0.578 1.00 0.97 C ATOM 503 CD GLN A 35 5.489 -9.583 -0.277 1.00 1.41 C ATOM 504 OE1 GLN A 35 6.388 -10.090 -0.924 1.00 2.39 O ATOM 505 NE2 GLN A 35 4.285 -10.119 -0.317 1.00 1.51 N ATOM 0 H GLN A 35 2.616 -5.349 0.331 1.00 0.52 H new ATOM 0 HA GLN A 35 4.829 -6.232 1.831 1.00 0.57 H new ATOM 0 HB2 GLN A 35 4.516 -7.342 -0.915 1.00 0.77 H new ATOM 0 HB3 GLN A 35 6.055 -6.565 -0.599 1.00 0.77 H new ATOM 0 HG2 GLN A 35 6.767 -8.226 0.805 1.00 0.97 H new ATOM 0 HG3 GLN A 35 5.187 -8.447 1.529 1.00 0.97 H new ATOM 0 HE21 GLN A 35 3.524 -9.704 0.220 1.00 1.51 H new ATOM 0 HE22 GLN A 35 4.115 -10.949 -0.885 1.00 1.51 H new ATOM 514 N VAL A 36 5.638 -3.882 1.206 1.00 0.57 N ATOM 515 CA VAL A 36 6.312 -2.616 0.866 1.00 0.58 C ATOM 516 C VAL A 36 7.722 -2.620 1.465 1.00 0.57 C ATOM 517 O VAL A 36 7.932 -2.969 2.625 1.00 0.85 O ATOM 518 CB VAL A 36 5.492 -1.343 1.236 1.00 0.95 C ATOM 519 CG1 VAL A 36 4.861 -1.383 2.630 1.00 1.54 C ATOM 520 CG2 VAL A 36 6.292 -0.030 1.139 1.00 1.51 C ATOM 0 H VAL A 36 5.819 -4.170 2.167 1.00 0.57 H new ATOM 0 HA VAL A 36 6.392 -2.559 -0.220 1.00 0.58 H new ATOM 0 HB VAL A 36 4.707 -1.355 0.480 1.00 0.95 H new ATOM 0 HG11 VAL A 36 4.309 -0.460 2.806 1.00 1.54 H new ATOM 0 HG12 VAL A 36 4.180 -2.231 2.697 1.00 1.54 H new ATOM 0 HG13 VAL A 36 5.644 -1.487 3.381 1.00 1.54 H new ATOM 0 HG21 VAL A 36 5.651 0.808 1.412 1.00 1.51 H new ATOM 0 HG22 VAL A 36 7.143 -0.072 1.818 1.00 1.51 H new ATOM 0 HG23 VAL A 36 6.649 0.104 0.118 1.00 1.51 H new ATOM 530 N ASN A 37 8.705 -2.274 0.634 1.00 0.42 N ATOM 531 CA ASN A 37 10.123 -2.406 0.942 1.00 0.44 C ATOM 532 C ASN A 37 10.675 -1.047 1.382 1.00 0.47 C ATOM 533 O ASN A 37 10.909 -0.161 0.556 1.00 0.51 O ATOM 534 CB ASN A 37 10.856 -2.958 -0.289 1.00 0.51 C ATOM 535 CG ASN A 37 12.322 -3.217 0.024 1.00 0.74 C ATOM 536 OD1 ASN A 37 13.122 -2.296 0.085 1.00 0.82 O ATOM 537 ND2 ASN A 37 12.715 -4.455 0.257 1.00 1.31 N ATOM 0 H ASN A 37 8.530 -1.885 -0.293 1.00 0.42 H new ATOM 0 HA ASN A 37 10.276 -3.106 1.763 1.00 0.44 H new ATOM 0 HB2 ASN A 37 10.381 -3.883 -0.616 1.00 0.51 H new ATOM 0 HB3 ASN A 37 10.776 -2.249 -1.113 1.00 0.51 H new ATOM 0 HD21 ASN A 37 13.690 -4.645 0.489 1.00 1.31 H new ATOM 0 HD22 ASN A 37 12.044 -5.221 0.205 1.00 1.31 H new ATOM 544 N PHE A 38 10.909 -0.880 2.687 1.00 0.52 N ATOM 545 CA PHE A 38 11.197 0.422 3.304 1.00 0.62 C ATOM 546 C PHE A 38 12.669 0.867 3.137 1.00 0.65 C ATOM 547 O PHE A 38 13.280 1.409 4.054 1.00 0.84 O ATOM 548 CB PHE A 38 10.709 0.387 4.768 1.00 0.75 C ATOM 549 CG PHE A 38 10.349 1.712 5.432 1.00 0.96 C ATOM 550 CD1 PHE A 38 10.248 2.924 4.714 1.00 2.17 C ATOM 551 CD2 PHE A 38 10.033 1.702 6.805 1.00 2.56 C ATOM 552 CE1 PHE A 38 9.813 4.093 5.357 1.00 2.70 C ATOM 553 CE2 PHE A 38 9.599 2.875 7.449 1.00 3.05 C ATOM 554 CZ PHE A 38 9.473 4.066 6.718 1.00 2.50 C ATOM 0 H PHE A 38 10.904 -1.652 3.353 1.00 0.52 H new ATOM 0 HA PHE A 38 10.646 1.201 2.777 1.00 0.62 H new ATOM 0 HB2 PHE A 38 9.832 -0.259 4.813 1.00 0.75 H new ATOM 0 HB3 PHE A 38 11.485 -0.088 5.368 1.00 0.75 H new ATOM 0 HD1 PHE A 38 10.507 2.951 3.666 1.00 2.17 H new ATOM 0 HD2 PHE A 38 10.125 0.785 7.368 1.00 2.56 H new ATOM 0 HE1 PHE A 38 9.740 5.017 4.802 1.00 2.70 H new ATOM 0 HE2 PHE A 38 9.364 2.859 8.503 1.00 3.05 H new ATOM 0 HZ PHE A 38 9.114 4.962 7.203 1.00 2.50 H new ATOM 564 N ALA A 39 13.242 0.600 1.958 1.00 0.59 N ATOM 565 CA ALA A 39 14.613 0.928 1.568 1.00 0.65 C ATOM 566 C ALA A 39 14.731 1.195 0.055 1.00 0.64 C ATOM 567 O ALA A 39 15.496 2.068 -0.342 1.00 0.80 O ATOM 568 CB ALA A 39 15.528 -0.222 2.009 1.00 0.70 C ATOM 0 H ALA A 39 12.733 0.124 1.213 1.00 0.59 H new ATOM 0 HA ALA A 39 14.918 1.851 2.061 1.00 0.65 H new ATOM 0 HB1 ALA A 39 16.557 0.003 1.727 1.00 0.70 H new ATOM 0 HB2 ALA A 39 15.466 -0.342 3.091 1.00 0.70 H new ATOM 0 HB3 ALA A 39 15.212 -1.145 1.523 1.00 0.70 H new ATOM 574 N LEU A 40 13.951 0.496 -0.788 1.00 0.54 N ATOM 575 CA LEU A 40 13.955 0.615 -2.241 1.00 0.54 C ATOM 576 C LEU A 40 12.571 1.080 -2.786 1.00 0.47 C ATOM 577 O LEU A 40 12.244 0.907 -3.953 1.00 0.57 O ATOM 578 CB LEU A 40 14.533 -0.748 -2.705 1.00 0.58 C ATOM 579 CG LEU A 40 14.268 -1.204 -4.134 1.00 0.60 C ATOM 580 CD1 LEU A 40 14.865 -0.262 -5.194 1.00 0.68 C ATOM 581 CD2 LEU A 40 14.819 -2.623 -4.349 1.00 0.68 C ATOM 0 H LEU A 40 13.277 -0.192 -0.454 1.00 0.54 H new ATOM 0 HA LEU A 40 14.576 1.408 -2.658 1.00 0.54 H new ATOM 0 HB2 LEU A 40 15.613 -0.715 -2.563 1.00 0.58 H new ATOM 0 HB3 LEU A 40 14.147 -1.516 -2.035 1.00 0.58 H new ATOM 0 HG LEU A 40 13.186 -1.191 -4.263 1.00 0.60 H new ATOM 0 HD11 LEU A 40 14.640 -0.645 -6.189 1.00 0.68 H new ATOM 0 HD12 LEU A 40 14.433 0.732 -5.082 1.00 0.68 H new ATOM 0 HD13 LEU A 40 15.946 -0.205 -5.063 1.00 0.68 H new ATOM 0 HD21 LEU A 40 14.623 -2.938 -5.374 1.00 0.68 H new ATOM 0 HD22 LEU A 40 15.894 -2.628 -4.167 1.00 0.68 H new ATOM 0 HD23 LEU A 40 14.331 -3.311 -3.659 1.00 0.68 H new ATOM 593 N GLU A 41 11.731 1.667 -1.930 1.00 0.47 N ATOM 594 CA GLU A 41 10.480 2.389 -2.248 1.00 0.48 C ATOM 595 C GLU A 41 9.315 1.563 -2.823 1.00 0.39 C ATOM 596 O GLU A 41 8.201 2.087 -2.847 1.00 0.36 O ATOM 597 CB GLU A 41 10.714 3.620 -3.155 1.00 0.66 C ATOM 598 CG GLU A 41 11.402 4.801 -2.457 1.00 0.85 C ATOM 599 CD GLU A 41 11.150 6.134 -3.177 1.00 1.14 C ATOM 600 OE1 GLU A 41 10.832 6.133 -4.395 1.00 2.12 O ATOM 601 OE2 GLU A 41 11.278 7.184 -2.494 1.00 2.10 O ATOM 0 H GLU A 41 11.912 1.654 -0.926 1.00 0.47 H new ATOM 0 HA GLU A 41 10.159 2.695 -1.252 1.00 0.48 H new ATOM 0 HB2 GLU A 41 11.319 3.317 -4.010 1.00 0.66 H new ATOM 0 HB3 GLU A 41 9.754 3.955 -3.547 1.00 0.66 H new ATOM 0 HG2 GLU A 41 11.043 4.872 -1.430 1.00 0.85 H new ATOM 0 HG3 GLU A 41 12.475 4.615 -2.407 1.00 0.85 H new ATOM 608 N GLN A 42 9.495 0.328 -3.312 1.00 0.44 N ATOM 609 CA GLN A 42 8.354 -0.382 -3.905 1.00 0.42 C ATOM 610 C GLN A 42 7.298 -0.781 -2.875 1.00 0.40 C ATOM 611 O GLN A 42 7.627 -1.139 -1.748 1.00 0.45 O ATOM 612 CB GLN A 42 8.757 -1.591 -4.751 1.00 0.43 C ATOM 613 CG GLN A 42 9.047 -2.867 -3.925 1.00 0.44 C ATOM 614 CD GLN A 42 10.284 -3.572 -4.438 1.00 0.73 C ATOM 615 OE1 GLN A 42 10.264 -4.364 -5.359 1.00 2.04 O ATOM 616 NE2 GLN A 42 11.433 -3.239 -3.893 1.00 0.91 N ATOM 0 H GLN A 42 10.378 -0.182 -3.311 1.00 0.44 H new ATOM 0 HA GLN A 42 7.905 0.348 -4.579 1.00 0.42 H new ATOM 0 HB2 GLN A 42 7.960 -1.805 -5.464 1.00 0.43 H new ATOM 0 HB3 GLN A 42 9.644 -1.336 -5.331 1.00 0.43 H new ATOM 0 HG2 GLN A 42 9.182 -2.603 -2.876 1.00 0.44 H new ATOM 0 HG3 GLN A 42 8.192 -3.541 -3.976 1.00 0.44 H new ATOM 0 HE21 GLN A 42 11.457 -2.575 -3.119 1.00 0.91 H new ATOM 0 HE22 GLN A 42 12.301 -3.645 -4.244 1.00 0.91 H new ATOM 625 N ALA A 43 6.053 -0.848 -3.340 1.00 0.41 N ATOM 626 CA ALA A 43 4.985 -1.655 -2.762 1.00 0.42 C ATOM 627 C ALA A 43 4.430 -2.640 -3.804 1.00 0.49 C ATOM 628 O ALA A 43 4.476 -2.367 -5.005 1.00 0.73 O ATOM 629 CB ALA A 43 3.900 -0.720 -2.209 1.00 0.47 C ATOM 0 H ALA A 43 5.751 -0.322 -4.160 1.00 0.41 H new ATOM 0 HA ALA A 43 5.371 -2.256 -1.939 1.00 0.42 H new ATOM 0 HB1 ALA A 43 3.096 -1.313 -1.774 1.00 0.47 H new ATOM 0 HB2 ALA A 43 4.331 -0.076 -1.443 1.00 0.47 H new ATOM 0 HB3 ALA A 43 3.502 -0.106 -3.017 1.00 0.47 H new ATOM 635 N VAL A 44 3.875 -3.758 -3.336 1.00 0.49 N ATOM 636 CA VAL A 44 2.981 -4.638 -4.093 1.00 0.58 C ATOM 637 C VAL A 44 1.809 -5.030 -3.208 1.00 0.64 C ATOM 638 O VAL A 44 1.988 -5.432 -2.056 1.00 0.74 O ATOM 639 CB VAL A 44 3.675 -5.893 -4.678 1.00 0.70 C ATOM 640 CG1 VAL A 44 4.320 -6.821 -3.639 1.00 0.81 C ATOM 641 CG2 VAL A 44 2.725 -6.714 -5.569 1.00 0.85 C ATOM 0 H VAL A 44 4.041 -4.089 -2.385 1.00 0.49 H new ATOM 0 HA VAL A 44 2.636 -4.076 -4.960 1.00 0.58 H new ATOM 0 HB VAL A 44 4.487 -5.481 -5.277 1.00 0.70 H new ATOM 0 HG11 VAL A 44 4.780 -7.670 -4.145 1.00 0.81 H new ATOM 0 HG12 VAL A 44 5.082 -6.273 -3.085 1.00 0.81 H new ATOM 0 HG13 VAL A 44 3.557 -7.180 -2.948 1.00 0.81 H new ATOM 0 HG21 VAL A 44 3.253 -7.585 -5.958 1.00 0.85 H new ATOM 0 HG22 VAL A 44 1.868 -7.042 -4.981 1.00 0.85 H new ATOM 0 HG23 VAL A 44 2.381 -6.097 -6.399 1.00 0.85 H new ATOM 651 N VAL A 45 0.598 -4.922 -3.754 1.00 0.68 N ATOM 652 CA VAL A 45 -0.596 -5.435 -3.071 1.00 0.65 C ATOM 653 C VAL A 45 -1.572 -5.986 -4.089 1.00 0.60 C ATOM 654 O VAL A 45 -1.914 -5.332 -5.079 1.00 0.66 O ATOM 655 CB VAL A 45 -1.340 -4.398 -2.193 1.00 0.73 C ATOM 656 CG1 VAL A 45 -2.262 -5.055 -1.163 1.00 0.85 C ATOM 657 CG2 VAL A 45 -0.411 -3.432 -1.442 1.00 1.09 C ATOM 0 H VAL A 45 0.415 -4.488 -4.659 1.00 0.68 H new ATOM 0 HA VAL A 45 -0.228 -6.208 -2.397 1.00 0.65 H new ATOM 0 HB VAL A 45 -1.925 -3.828 -2.915 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -2.759 -4.283 -0.575 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -3.011 -5.658 -1.677 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -1.674 -5.693 -0.503 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -1.009 -2.738 -0.851 1.00 1.09 H new ATOM 0 HG22 VAL A 45 0.246 -3.998 -0.782 1.00 1.09 H new ATOM 0 HG23 VAL A 45 0.189 -2.873 -2.160 1.00 1.09 H new ATOM 667 N SER A 46 -2.085 -7.169 -3.773 1.00 0.58 N ATOM 668 CA SER A 46 -3.332 -7.639 -4.349 1.00 0.60 C ATOM 669 C SER A 46 -4.401 -7.652 -3.264 1.00 0.55 C ATOM 670 O SER A 46 -4.553 -8.596 -2.499 1.00 0.74 O ATOM 671 CB SER A 46 -3.140 -8.906 -5.181 1.00 0.83 C ATOM 672 OG SER A 46 -4.318 -9.638 -5.416 1.00 1.53 O ATOM 0 H SER A 46 -1.652 -7.820 -3.118 1.00 0.58 H new ATOM 0 HA SER A 46 -3.711 -6.951 -5.105 1.00 0.60 H new ATOM 0 HB2 SER A 46 -2.701 -8.632 -6.140 1.00 0.83 H new ATOM 0 HB3 SER A 46 -2.422 -9.551 -4.675 1.00 0.83 H new ATOM 0 HG SER A 46 -4.836 -9.205 -6.126 1.00 1.53 H new ATOM 678 N TYR A 47 -5.089 -6.510 -3.209 1.00 0.86 N ATOM 679 CA TYR A 47 -6.302 -6.195 -2.435 1.00 0.81 C ATOM 680 C TYR A 47 -7.560 -6.141 -3.337 1.00 0.85 C ATOM 681 O TYR A 47 -8.552 -5.471 -3.037 1.00 1.35 O ATOM 682 CB TYR A 47 -6.113 -4.936 -1.546 1.00 1.07 C ATOM 683 CG TYR A 47 -5.360 -3.711 -2.062 1.00 1.06 C ATOM 684 CD1 TYR A 47 -5.011 -3.560 -3.416 1.00 1.43 C ATOM 685 CD2 TYR A 47 -4.938 -2.732 -1.140 1.00 1.88 C ATOM 686 CE1 TYR A 47 -4.101 -2.563 -3.813 1.00 1.43 C ATOM 687 CE2 TYR A 47 -4.084 -1.685 -1.540 1.00 1.97 C ATOM 688 CZ TYR A 47 -3.619 -1.633 -2.871 1.00 1.27 C ATOM 689 OH TYR A 47 -2.751 -0.663 -3.267 1.00 1.47 O ATOM 0 H TYR A 47 -4.786 -5.703 -3.755 1.00 0.86 H new ATOM 0 HA TYR A 47 -6.475 -7.016 -1.739 1.00 0.81 H new ATOM 0 HB2 TYR A 47 -7.108 -4.599 -1.255 1.00 1.07 H new ATOM 0 HB3 TYR A 47 -5.608 -5.261 -0.637 1.00 1.07 H new ATOM 0 HD1 TYR A 47 -5.445 -4.215 -4.157 1.00 1.43 H new ATOM 0 HD2 TYR A 47 -5.273 -2.785 -0.115 1.00 1.88 H new ATOM 0 HE1 TYR A 47 -3.772 -2.511 -4.840 1.00 1.43 H new ATOM 0 HE2 TYR A 47 -3.787 -0.926 -0.831 1.00 1.97 H new ATOM 0 HH TYR A 47 -3.083 0.212 -2.976 1.00 1.47 H new ATOM 699 N HIS A 48 -7.510 -6.839 -4.475 1.00 0.87 N ATOM 700 CA HIS A 48 -8.492 -6.798 -5.566 1.00 1.14 C ATOM 701 C HIS A 48 -9.277 -8.124 -5.681 1.00 1.21 C ATOM 702 O HIS A 48 -9.020 -8.932 -6.577 1.00 1.56 O ATOM 703 CB HIS A 48 -7.756 -6.444 -6.872 1.00 1.55 C ATOM 704 CG HIS A 48 -6.824 -5.269 -6.770 1.00 1.54 C ATOM 705 ND1 HIS A 48 -7.201 -3.931 -6.666 1.00 1.41 N ATOM 706 CD2 HIS A 48 -5.465 -5.355 -6.707 1.00 1.71 C ATOM 707 CE1 HIS A 48 -6.058 -3.236 -6.576 1.00 1.50 C ATOM 708 NE2 HIS A 48 -4.995 -4.064 -6.626 1.00 1.72 N ATOM 0 H HIS A 48 -6.743 -7.482 -4.672 1.00 0.87 H new ATOM 0 HA HIS A 48 -9.238 -6.031 -5.357 1.00 1.14 H new ATOM 0 HB2 HIS A 48 -7.187 -7.314 -7.200 1.00 1.55 H new ATOM 0 HB3 HIS A 48 -8.496 -6.237 -7.645 1.00 1.55 H new ATOM 0 HD2 HIS A 48 -4.873 -6.259 -6.718 1.00 1.71 H new ATOM 0 HE1 HIS A 48 -5.997 -2.162 -6.477 1.00 1.50 H new ATOM 0 HE2 HIS A 48 -4.015 -3.783 -6.607 1.00 1.72 H new ATOM 716 N GLY A 49 -10.197 -8.364 -4.736 1.00 1.56 N ATOM 717 CA GLY A 49 -11.097 -9.528 -4.735 1.00 1.97 C ATOM 718 C GLY A 49 -12.281 -9.280 -5.667 1.00 1.82 C ATOM 719 O GLY A 49 -12.271 -9.721 -6.813 1.00 2.47 O ATOM 0 H GLY A 49 -10.340 -7.745 -3.938 1.00 1.56 H new ATOM 0 HA2 GLY A 49 -10.554 -10.417 -5.054 1.00 1.97 H new ATOM 0 HA3 GLY A 49 -11.455 -9.719 -3.723 1.00 1.97 H new ATOM 723 N GLU A 50 -13.272 -8.537 -5.170 1.00 1.90 N ATOM 724 CA GLU A 50 -14.275 -7.865 -6.002 1.00 1.98 C ATOM 725 C GLU A 50 -13.683 -6.565 -6.600 1.00 2.16 C ATOM 726 O GLU A 50 -12.461 -6.376 -6.622 1.00 3.43 O ATOM 727 CB GLU A 50 -15.553 -7.613 -5.176 1.00 2.47 C ATOM 728 CG GLU A 50 -16.197 -8.912 -4.668 1.00 3.13 C ATOM 729 CD GLU A 50 -17.530 -8.626 -3.977 1.00 3.76 C ATOM 730 OE1 GLU A 50 -17.502 -7.827 -3.015 1.00 4.42 O ATOM 731 OE2 GLU A 50 -18.546 -9.195 -4.428 1.00 4.68 O ATOM 0 H GLU A 50 -13.403 -8.383 -4.170 1.00 1.90 H new ATOM 0 HA GLU A 50 -14.553 -8.503 -6.841 1.00 1.98 H new ATOM 0 HB2 GLU A 50 -15.311 -6.976 -4.326 1.00 2.47 H new ATOM 0 HB3 GLU A 50 -16.274 -7.070 -5.787 1.00 2.47 H new ATOM 0 HG2 GLU A 50 -16.355 -9.595 -5.503 1.00 3.13 H new ATOM 0 HG3 GLU A 50 -15.521 -9.410 -3.972 1.00 3.13 H new ATOM 738 N THR A 51 -14.531 -5.652 -7.095 1.00 1.86 N ATOM 739 CA THR A 51 -14.124 -4.444 -7.831 1.00 2.26 C ATOM 740 C THR A 51 -13.603 -3.341 -6.904 1.00 1.92 C ATOM 741 O THR A 51 -14.274 -2.325 -6.702 1.00 2.88 O ATOM 742 CB THR A 51 -15.262 -3.950 -8.737 1.00 3.26 C ATOM 743 OG1 THR A 51 -16.391 -3.691 -7.943 1.00 3.22 O ATOM 744 CG2 THR A 51 -15.650 -4.974 -9.806 1.00 5.00 C ATOM 0 H THR A 51 -15.543 -5.734 -6.993 1.00 1.86 H new ATOM 0 HA THR A 51 -13.284 -4.718 -8.470 1.00 2.26 H new ATOM 0 HB THR A 51 -14.909 -3.053 -9.245 1.00 3.26 H new ATOM 0 HG1 THR A 51 -16.140 -3.106 -7.198 1.00 3.22 H new ATOM 0 HG21 THR A 51 -16.458 -4.573 -10.418 1.00 5.00 H new ATOM 0 HG22 THR A 51 -14.787 -5.185 -10.438 1.00 5.00 H new ATOM 0 HG23 THR A 51 -15.981 -5.894 -9.325 1.00 5.00 H new ATOM 752 N THR A 52 -12.398 -3.534 -6.350 1.00 2.19 N ATOM 753 CA THR A 52 -11.649 -2.538 -5.560 1.00 2.25 C ATOM 754 C THR A 52 -11.411 -1.266 -6.391 1.00 1.31 C ATOM 755 O THR A 52 -10.769 -1.363 -7.436 1.00 2.38 O ATOM 756 CB THR A 52 -10.328 -3.144 -5.069 1.00 3.89 C ATOM 757 OG1 THR A 52 -10.672 -4.145 -4.143 1.00 4.96 O ATOM 758 CG2 THR A 52 -9.419 -2.156 -4.336 1.00 4.81 C ATOM 0 H THR A 52 -11.897 -4.418 -6.441 1.00 2.19 H new ATOM 0 HA THR A 52 -12.237 -2.257 -4.686 1.00 2.25 H new ATOM 0 HB THR A 52 -9.781 -3.496 -5.944 1.00 3.89 H new ATOM 0 HG1 THR A 52 -9.865 -4.457 -3.683 1.00 4.96 H new ATOM 0 HG21 THR A 52 -8.507 -2.664 -4.022 1.00 4.81 H new ATOM 0 HG22 THR A 52 -9.164 -1.332 -5.003 1.00 4.81 H new ATOM 0 HG23 THR A 52 -9.937 -1.766 -3.460 1.00 4.81 H new ATOM 766 N PRO A 53 -11.899 -0.084 -5.954 1.00 1.44 N ATOM 767 CA PRO A 53 -11.669 1.196 -6.623 1.00 2.40 C ATOM 768 C PRO A 53 -10.412 1.872 -6.037 1.00 1.78 C ATOM 769 O PRO A 53 -9.499 1.187 -5.577 1.00 1.54 O ATOM 770 CB PRO A 53 -12.977 1.959 -6.375 1.00 4.03 C ATOM 771 CG PRO A 53 -13.315 1.563 -4.941 1.00 4.15 C ATOM 772 CD PRO A 53 -12.848 0.107 -4.860 1.00 2.82 C ATOM 0 HA PRO A 53 -11.461 1.132 -7.691 1.00 2.40 H new ATOM 0 HB2 PRO A 53 -12.846 3.036 -6.480 1.00 4.03 H new ATOM 0 HB3 PRO A 53 -13.759 1.664 -7.074 1.00 4.03 H new ATOM 0 HG2 PRO A 53 -12.798 2.193 -4.217 1.00 4.15 H new ATOM 0 HG3 PRO A 53 -14.382 1.655 -4.739 1.00 4.15 H new ATOM 0 HD2 PRO A 53 -12.378 -0.097 -3.898 1.00 2.82 H new ATOM 0 HD3 PRO A 53 -13.691 -0.577 -4.954 1.00 2.82 H new ATOM 780 N GLN A 54 -10.353 3.211 -5.990 1.00 1.75 N ATOM 781 CA GLN A 54 -9.212 3.966 -5.446 1.00 1.45 C ATOM 782 C GLN A 54 -8.953 3.739 -3.938 1.00 1.05 C ATOM 783 O GLN A 54 -7.988 4.277 -3.405 1.00 0.99 O ATOM 784 CB GLN A 54 -9.341 5.453 -5.837 1.00 2.03 C ATOM 785 CG GLN A 54 -8.031 6.238 -5.609 1.00 3.40 C ATOM 786 CD GLN A 54 -7.938 7.553 -6.373 1.00 4.40 C ATOM 787 OE1 GLN A 54 -8.919 8.124 -6.814 1.00 4.22 O ATOM 788 NE2 GLN A 54 -6.750 8.076 -6.589 1.00 5.77 N ATOM 0 H GLN A 54 -11.105 3.809 -6.333 1.00 1.75 H new ATOM 0 HA GLN A 54 -8.308 3.568 -5.907 1.00 1.45 H new ATOM 0 HB2 GLN A 54 -9.627 5.526 -6.886 1.00 2.03 H new ATOM 0 HB3 GLN A 54 -10.141 5.911 -5.255 1.00 2.03 H new ATOM 0 HG2 GLN A 54 -7.927 6.444 -4.544 1.00 3.40 H new ATOM 0 HG3 GLN A 54 -7.190 5.606 -5.895 1.00 3.40 H new ATOM 0 HE21 GLN A 54 -5.916 7.613 -6.228 1.00 5.77 H new ATOM 0 HE22 GLN A 54 -6.663 8.944 -7.117 1.00 5.77 H new ATOM 797 N ILE A 55 -9.718 2.876 -3.256 1.00 1.09 N ATOM 798 CA ILE A 55 -9.366 2.350 -1.918 1.00 1.04 C ATOM 799 C ILE A 55 -7.958 1.721 -1.899 1.00 0.95 C ATOM 800 O ILE A 55 -7.262 1.785 -0.887 1.00 0.96 O ATOM 801 CB ILE A 55 -10.466 1.376 -1.425 1.00 1.39 C ATOM 802 CG1 ILE A 55 -11.824 2.090 -1.204 1.00 1.52 C ATOM 803 CG2 ILE A 55 -10.067 0.616 -0.146 1.00 1.58 C ATOM 804 CD1 ILE A 55 -11.848 3.174 -0.115 1.00 2.40 C ATOM 0 H ILE A 55 -10.604 2.518 -3.613 1.00 1.09 H new ATOM 0 HA ILE A 55 -9.324 3.183 -1.216 1.00 1.04 H new ATOM 0 HB ILE A 55 -10.580 0.646 -2.227 1.00 1.39 H new ATOM 0 HG12 ILE A 55 -12.131 2.544 -2.147 1.00 1.52 H new ATOM 0 HG13 ILE A 55 -12.571 1.337 -0.955 1.00 1.52 H new ATOM 0 HG21 ILE A 55 -10.878 -0.050 0.149 1.00 1.58 H new ATOM 0 HG22 ILE A 55 -9.168 0.030 -0.336 1.00 1.58 H new ATOM 0 HG23 ILE A 55 -9.873 1.329 0.655 1.00 1.58 H new ATOM 0 HD11 ILE A 55 -12.848 3.603 -0.050 1.00 2.40 H new ATOM 0 HD12 ILE A 55 -11.580 2.732 0.845 1.00 2.40 H new ATOM 0 HD13 ILE A 55 -11.133 3.957 -0.366 1.00 2.40 H new ATOM 816 N LEU A 56 -7.494 1.203 -3.046 1.00 0.96 N ATOM 817 CA LEU A 56 -6.112 0.753 -3.239 1.00 0.96 C ATOM 818 C LEU A 56 -5.089 1.842 -2.854 1.00 0.81 C ATOM 819 O LEU A 56 -4.053 1.543 -2.259 1.00 0.95 O ATOM 820 CB LEU A 56 -5.966 0.221 -4.688 1.00 1.16 C ATOM 821 CG LEU A 56 -5.952 1.254 -5.838 1.00 1.16 C ATOM 822 CD1 LEU A 56 -4.521 1.717 -6.165 1.00 1.29 C ATOM 823 CD2 LEU A 56 -6.530 0.645 -7.127 1.00 1.48 C ATOM 0 H LEU A 56 -8.077 1.084 -3.874 1.00 0.96 H new ATOM 0 HA LEU A 56 -5.884 -0.069 -2.560 1.00 0.96 H new ATOM 0 HB2 LEU A 56 -5.041 -0.353 -4.742 1.00 1.16 H new ATOM 0 HB3 LEU A 56 -6.784 -0.475 -4.873 1.00 1.16 H new ATOM 0 HG LEU A 56 -6.554 2.097 -5.499 1.00 1.16 H new ATOM 0 HD11 LEU A 56 -4.550 2.443 -6.978 1.00 1.29 H new ATOM 0 HD12 LEU A 56 -4.077 2.178 -5.283 1.00 1.29 H new ATOM 0 HD13 LEU A 56 -3.921 0.859 -6.466 1.00 1.29 H new ATOM 0 HD21 LEU A 56 -6.510 1.390 -7.922 1.00 1.48 H new ATOM 0 HD22 LEU A 56 -5.932 -0.217 -7.422 1.00 1.48 H new ATOM 0 HD23 LEU A 56 -7.558 0.330 -6.951 1.00 1.48 H new ATOM 835 N THR A 57 -5.406 3.098 -3.198 1.00 0.74 N ATOM 836 CA THR A 57 -4.622 4.309 -2.908 1.00 0.75 C ATOM 837 C THR A 57 -4.973 4.896 -1.545 1.00 0.66 C ATOM 838 O THR A 57 -4.056 5.277 -0.830 1.00 0.64 O ATOM 839 CB THR A 57 -4.816 5.380 -3.990 1.00 0.96 C ATOM 840 OG1 THR A 57 -4.721 4.801 -5.271 1.00 1.65 O ATOM 841 CG2 THR A 57 -3.745 6.468 -3.925 1.00 1.77 C ATOM 0 H THR A 57 -6.261 3.309 -3.713 1.00 0.74 H new ATOM 0 HA THR A 57 -3.576 4.003 -2.898 1.00 0.75 H new ATOM 0 HB THR A 57 -5.799 5.816 -3.812 1.00 0.96 H new ATOM 0 HG1 THR A 57 -4.848 5.493 -5.953 1.00 1.65 H new ATOM 0 HG21 THR A 57 -3.925 7.203 -4.710 1.00 1.77 H new ATOM 0 HG22 THR A 57 -3.784 6.959 -2.953 1.00 1.77 H new ATOM 0 HG23 THR A 57 -2.762 6.019 -4.066 1.00 1.77 H new ATOM 849 N ASP A 58 -6.246 4.925 -1.146 1.00 0.68 N ATOM 850 CA ASP A 58 -6.694 5.402 0.181 1.00 0.73 C ATOM 851 C ASP A 58 -5.817 4.840 1.314 1.00 0.69 C ATOM 852 O ASP A 58 -5.305 5.572 2.166 1.00 0.69 O ATOM 853 CB ASP A 58 -8.155 4.966 0.367 1.00 0.86 C ATOM 854 CG ASP A 58 -8.811 5.465 1.657 1.00 1.30 C ATOM 855 OD1 ASP A 58 -9.402 6.566 1.610 1.00 2.13 O ATOM 856 OD2 ASP A 58 -8.778 4.701 2.646 1.00 2.14 O ATOM 0 H ASP A 58 -7.015 4.614 -1.740 1.00 0.68 H new ATOM 0 HA ASP A 58 -6.606 6.488 0.225 1.00 0.73 H new ATOM 0 HB2 ASP A 58 -8.738 5.323 -0.482 1.00 0.86 H new ATOM 0 HB3 ASP A 58 -8.200 3.877 0.350 1.00 0.86 H new ATOM 861 N ALA A 59 -5.511 3.543 1.230 1.00 0.70 N ATOM 862 CA ALA A 59 -4.654 2.864 2.190 1.00 0.76 C ATOM 863 C ALA A 59 -3.156 3.216 2.147 1.00 0.79 C ATOM 864 O ALA A 59 -2.429 2.753 3.025 1.00 1.01 O ATOM 865 CB ALA A 59 -4.924 1.360 2.093 1.00 0.86 C ATOM 0 H ALA A 59 -5.856 2.935 0.487 1.00 0.70 H new ATOM 0 HA ALA A 59 -4.927 3.241 3.176 1.00 0.76 H new ATOM 0 HB1 ALA A 59 -4.291 0.830 2.805 1.00 0.86 H new ATOM 0 HB2 ALA A 59 -5.971 1.163 2.321 1.00 0.86 H new ATOM 0 HB3 ALA A 59 -4.702 1.015 1.083 1.00 0.86 H new ATOM 871 N VAL A 60 -2.696 4.049 1.210 1.00 0.63 N ATOM 872 CA VAL A 60 -1.395 4.749 1.306 1.00 0.59 C ATOM 873 C VAL A 60 -1.530 6.201 1.767 1.00 0.58 C ATOM 874 O VAL A 60 -0.705 6.679 2.547 1.00 0.60 O ATOM 875 CB VAL A 60 -0.567 4.683 0.008 1.00 0.68 C ATOM 876 CG1 VAL A 60 -0.275 3.206 -0.332 1.00 1.97 C ATOM 877 CG2 VAL A 60 -1.081 5.385 -1.258 1.00 1.69 C ATOM 0 H VAL A 60 -3.211 4.263 0.356 1.00 0.63 H new ATOM 0 HA VAL A 60 -0.850 4.199 2.074 1.00 0.59 H new ATOM 0 HB VAL A 60 0.313 5.272 0.268 1.00 0.68 H new ATOM 0 HG11 VAL A 60 0.311 3.153 -1.250 1.00 1.97 H new ATOM 0 HG12 VAL A 60 0.286 2.749 0.483 1.00 1.97 H new ATOM 0 HG13 VAL A 60 -1.215 2.672 -0.470 1.00 1.97 H new ATOM 0 HG21 VAL A 60 -0.372 5.233 -2.072 1.00 1.69 H new ATOM 0 HG22 VAL A 60 -2.049 4.968 -1.538 1.00 1.69 H new ATOM 0 HG23 VAL A 60 -1.188 6.452 -1.064 1.00 1.69 H new ATOM 887 N GLU A 61 -2.608 6.868 1.360 1.00 0.60 N ATOM 888 CA GLU A 61 -2.931 8.258 1.735 1.00 0.67 C ATOM 889 C GLU A 61 -3.007 8.391 3.266 1.00 0.65 C ATOM 890 O GLU A 61 -2.365 9.264 3.851 1.00 0.81 O ATOM 891 CB GLU A 61 -4.260 8.718 1.104 1.00 0.74 C ATOM 892 CG GLU A 61 -4.299 8.721 -0.433 1.00 1.58 C ATOM 893 CD GLU A 61 -3.403 9.768 -1.092 1.00 1.38 C ATOM 894 OE1 GLU A 61 -3.290 10.898 -0.562 1.00 1.79 O ATOM 895 OE2 GLU A 61 -2.825 9.472 -2.162 1.00 2.54 O ATOM 0 H GLU A 61 -3.305 6.452 0.743 1.00 0.60 H new ATOM 0 HA GLU A 61 -2.135 8.898 1.354 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -5.058 8.071 1.469 1.00 0.74 H new ATOM 0 HB3 GLU A 61 -4.480 9.725 1.457 1.00 0.74 H new ATOM 0 HG2 GLU A 61 -4.007 7.734 -0.792 1.00 1.58 H new ATOM 0 HG3 GLU A 61 -5.327 8.886 -0.757 1.00 1.58 H new ATOM 902 N ARG A 62 -3.661 7.421 3.928 1.00 0.59 N ATOM 903 CA ARG A 62 -3.709 7.228 5.391 1.00 0.63 C ATOM 904 C ARG A 62 -2.364 7.313 6.122 1.00 0.61 C ATOM 905 O ARG A 62 -2.350 7.350 7.354 1.00 0.72 O ATOM 906 CB ARG A 62 -4.347 5.854 5.687 1.00 0.70 C ATOM 907 CG ARG A 62 -3.492 4.642 5.252 1.00 1.54 C ATOM 908 CD ARG A 62 -2.326 4.160 6.144 1.00 1.27 C ATOM 909 NE ARG A 62 -2.763 3.344 7.281 1.00 1.57 N ATOM 910 CZ ARG A 62 -3.001 3.747 8.521 1.00 1.22 C ATOM 911 NH1 ARG A 62 -2.959 5.005 8.912 1.00 1.64 N ATOM 912 NH2 ARG A 62 -3.261 2.832 9.425 1.00 1.83 N ATOM 0 H ARG A 62 -4.200 6.711 3.432 1.00 0.59 H new ATOM 0 HA ARG A 62 -4.297 8.062 5.773 1.00 0.63 H new ATOM 0 HB2 ARG A 62 -4.540 5.781 6.757 1.00 0.70 H new ATOM 0 HB3 ARG A 62 -5.313 5.800 5.184 1.00 0.70 H new ATOM 0 HG2 ARG A 62 -4.169 3.798 5.120 1.00 1.54 H new ATOM 0 HG3 ARG A 62 -3.076 4.874 4.272 1.00 1.54 H new ATOM 0 HD2 ARG A 62 -1.629 3.582 5.537 1.00 1.27 H new ATOM 0 HD3 ARG A 62 -1.781 5.027 6.517 1.00 1.27 H new ATOM 0 HE ARG A 62 -2.900 2.350 7.096 1.00 1.57 H new ATOM 0 HH11 ARG A 62 -2.732 5.740 8.242 1.00 1.64 H new ATOM 0 HH12 ARG A 62 -3.154 5.244 9.884 1.00 1.64 H new ATOM 0 HH21 ARG A 62 -3.275 1.846 9.163 1.00 1.83 H new ATOM 0 HH22 ARG A 62 -3.449 3.107 10.389 1.00 1.83 H new ATOM 926 N ALA A 63 -1.241 7.138 5.418 1.00 0.58 N ATOM 927 CA ALA A 63 0.110 7.089 5.986 1.00 0.73 C ATOM 928 C ALA A 63 0.842 8.438 5.892 1.00 0.80 C ATOM 929 O ALA A 63 1.918 8.572 6.470 1.00 0.97 O ATOM 930 CB ALA A 63 0.892 5.981 5.262 1.00 0.82 C ATOM 0 H ALA A 63 -1.248 7.023 4.405 1.00 0.58 H new ATOM 0 HA ALA A 63 0.037 6.869 7.051 1.00 0.73 H new ATOM 0 HB1 ALA A 63 1.902 5.924 5.667 1.00 0.82 H new ATOM 0 HB2 ALA A 63 0.388 5.025 5.408 1.00 0.82 H new ATOM 0 HB3 ALA A 63 0.941 6.207 4.197 1.00 0.82 H new ATOM 936 N GLY A 64 0.279 9.402 5.150 1.00 0.75 N ATOM 937 CA GLY A 64 0.974 10.612 4.714 1.00 0.90 C ATOM 938 C GLY A 64 1.742 10.373 3.417 1.00 0.90 C ATOM 939 O GLY A 64 2.480 11.252 2.981 1.00 1.03 O ATOM 0 H GLY A 64 -0.689 9.358 4.833 1.00 0.75 H new ATOM 0 HA2 GLY A 64 0.253 11.416 4.569 1.00 0.90 H new ATOM 0 HA3 GLY A 64 1.663 10.939 5.493 1.00 0.90 H new ATOM 943 N TYR A 65 1.598 9.187 2.809 1.00 0.78 N ATOM 944 CA TYR A 65 2.390 8.750 1.659 1.00 0.79 C ATOM 945 C TYR A 65 1.549 8.608 0.378 1.00 0.77 C ATOM 946 O TYR A 65 0.370 8.268 0.421 1.00 1.10 O ATOM 947 CB TYR A 65 3.104 7.433 2.001 1.00 0.84 C ATOM 948 CG TYR A 65 3.976 7.421 3.256 1.00 0.97 C ATOM 949 CD1 TYR A 65 4.591 8.591 3.760 1.00 1.87 C ATOM 950 CD2 TYR A 65 4.215 6.192 3.900 1.00 2.47 C ATOM 951 CE1 TYR A 65 5.411 8.539 4.904 1.00 1.91 C ATOM 952 CE2 TYR A 65 5.045 6.127 5.033 1.00 2.68 C ATOM 953 CZ TYR A 65 5.644 7.301 5.538 1.00 1.45 C ATOM 954 OH TYR A 65 6.500 7.205 6.587 1.00 1.76 O ATOM 0 H TYR A 65 0.914 8.494 3.111 1.00 0.78 H new ATOM 0 HA TYR A 65 3.130 9.523 1.450 1.00 0.79 H new ATOM 0 HB2 TYR A 65 2.348 6.655 2.107 1.00 0.84 H new ATOM 0 HB3 TYR A 65 3.729 7.156 1.152 1.00 0.84 H new ATOM 0 HD1 TYR A 65 4.430 9.535 3.262 1.00 1.87 H new ATOM 0 HD2 TYR A 65 3.757 5.291 3.520 1.00 2.47 H new ATOM 0 HE1 TYR A 65 5.859 9.442 5.293 1.00 1.91 H new ATOM 0 HE2 TYR A 65 5.224 5.178 5.517 1.00 2.68 H new ATOM 0 HH TYR A 65 7.095 7.983 6.596 1.00 1.76 H new ATOM 964 N HIS A 66 2.157 8.879 -0.779 1.00 0.65 N ATOM 965 CA HIS A 66 1.508 8.866 -2.099 1.00 0.63 C ATOM 966 C HIS A 66 1.941 7.659 -2.930 1.00 0.58 C ATOM 967 O HIS A 66 3.001 7.081 -2.703 1.00 0.68 O ATOM 968 CB HIS A 66 1.785 10.203 -2.825 1.00 0.74 C ATOM 969 CG HIS A 66 0.593 11.113 -2.763 1.00 0.87 C ATOM 970 ND1 HIS A 66 -0.211 11.455 -3.833 1.00 2.31 N ATOM 971 CD2 HIS A 66 -0.074 11.441 -1.615 1.00 1.28 C ATOM 972 CE1 HIS A 66 -1.365 11.934 -3.337 1.00 2.41 C ATOM 973 NE2 HIS A 66 -1.295 11.955 -1.994 1.00 1.36 N ATOM 0 H HIS A 66 3.146 9.122 -0.828 1.00 0.65 H new ATOM 0 HA HIS A 66 0.431 8.766 -1.961 1.00 0.63 H new ATOM 0 HB2 HIS A 66 2.645 10.695 -2.371 1.00 0.74 H new ATOM 0 HB3 HIS A 66 2.043 10.008 -3.866 1.00 0.74 H new ATOM 0 HD2 HIS A 66 0.287 11.320 -0.604 1.00 1.28 H new ATOM 0 HE1 HIS A 66 -2.214 12.252 -3.924 1.00 2.41 H new ATOM 0 HE2 HIS A 66 -2.022 12.294 -1.364 1.00 1.36 H new ATOM 982 N ALA A 67 1.151 7.300 -3.939 1.00 0.55 N ATOM 983 CA ALA A 67 1.492 6.228 -4.879 1.00 0.59 C ATOM 984 C ALA A 67 2.151 6.796 -6.154 1.00 0.66 C ATOM 985 O ALA A 67 1.565 7.657 -6.807 1.00 0.90 O ATOM 986 CB ALA A 67 0.190 5.479 -5.191 1.00 0.67 C ATOM 0 H ALA A 67 0.253 7.744 -4.131 1.00 0.55 H new ATOM 0 HA ALA A 67 2.223 5.545 -4.445 1.00 0.59 H new ATOM 0 HB1 ALA A 67 0.395 4.668 -5.890 1.00 0.67 H new ATOM 0 HB2 ALA A 67 -0.223 5.068 -4.270 1.00 0.67 H new ATOM 0 HB3 ALA A 67 -0.529 6.168 -5.635 1.00 0.67 H new ATOM 992 N ARG A 68 3.341 6.302 -6.535 1.00 0.63 N ATOM 993 CA ARG A 68 4.085 6.744 -7.732 1.00 0.76 C ATOM 994 C ARG A 68 4.368 5.578 -8.696 1.00 0.68 C ATOM 995 O ARG A 68 4.850 4.514 -8.315 1.00 0.66 O ATOM 996 CB ARG A 68 5.375 7.509 -7.346 1.00 1.06 C ATOM 997 CG ARG A 68 6.267 6.766 -6.336 1.00 1.19 C ATOM 998 CD ARG A 68 7.696 7.292 -6.140 1.00 2.06 C ATOM 999 NE ARG A 68 7.761 8.721 -5.799 1.00 2.60 N ATOM 1000 CZ ARG A 68 8.792 9.344 -5.241 1.00 3.18 C ATOM 1001 NH1 ARG A 68 9.841 8.717 -4.751 1.00 3.57 N ATOM 1002 NH2 ARG A 68 8.746 10.654 -5.176 1.00 4.28 N ATOM 0 H ARG A 68 3.824 5.571 -6.012 1.00 0.63 H new ATOM 0 HA ARG A 68 3.447 7.444 -8.271 1.00 0.76 H new ATOM 0 HB2 ARG A 68 5.953 7.705 -8.249 1.00 1.06 H new ATOM 0 HB3 ARG A 68 5.099 8.477 -6.928 1.00 1.06 H new ATOM 0 HG2 ARG A 68 5.766 6.781 -5.368 1.00 1.19 H new ATOM 0 HG3 ARG A 68 6.331 5.723 -6.645 1.00 1.19 H new ATOM 0 HD2 ARG A 68 8.180 6.717 -5.350 1.00 2.06 H new ATOM 0 HD3 ARG A 68 8.265 7.120 -7.054 1.00 2.06 H new ATOM 0 HE ARG A 68 6.938 9.285 -6.011 1.00 2.60 H new ATOM 0 HH11 ARG A 68 9.890 7.699 -4.789 1.00 3.57 H new ATOM 0 HH12 ARG A 68 10.604 9.249 -4.334 1.00 3.57 H new ATOM 0 HH21 ARG A 68 7.938 11.155 -5.547 1.00 4.28 H new ATOM 0 HH22 ARG A 68 9.518 11.171 -4.755 1.00 4.28 H new ATOM 1016 N VAL A 69 4.089 5.778 -9.980 1.00 0.83 N ATOM 1017 CA VAL A 69 4.311 4.796 -11.042 1.00 0.91 C ATOM 1018 C VAL A 69 5.706 4.948 -11.644 1.00 1.15 C ATOM 1019 O VAL A 69 6.047 5.998 -12.180 1.00 1.53 O ATOM 1020 CB VAL A 69 3.230 4.922 -12.138 1.00 1.20 C ATOM 1021 CG1 VAL A 69 1.991 4.101 -11.749 1.00 1.42 C ATOM 1022 CG2 VAL A 69 2.812 6.366 -12.476 1.00 2.21 C ATOM 0 H VAL A 69 3.691 6.652 -10.323 1.00 0.83 H new ATOM 0 HA VAL A 69 4.239 3.802 -10.601 1.00 0.91 H new ATOM 0 HB VAL A 69 3.691 4.530 -13.045 1.00 1.20 H new ATOM 0 HG11 VAL A 69 1.233 4.195 -12.527 1.00 1.42 H new ATOM 0 HG12 VAL A 69 2.269 3.053 -11.638 1.00 1.42 H new ATOM 0 HG13 VAL A 69 1.590 4.472 -10.806 1.00 1.42 H new ATOM 0 HG21 VAL A 69 2.050 6.351 -13.255 1.00 2.21 H new ATOM 0 HG22 VAL A 69 2.410 6.847 -11.584 1.00 2.21 H new ATOM 0 HG23 VAL A 69 3.680 6.923 -12.828 1.00 2.21 H new ATOM 1032 N LEU A 70 6.499 3.876 -11.571 1.00 1.21 N ATOM 1033 CA LEU A 70 7.908 3.856 -11.976 1.00 1.53 C ATOM 1034 C LEU A 70 8.135 3.536 -13.469 1.00 1.75 C ATOM 1035 O LEU A 70 9.144 2.944 -13.840 1.00 3.01 O ATOM 1036 CB LEU A 70 8.668 2.911 -11.027 1.00 1.64 C ATOM 1037 CG LEU A 70 8.325 1.410 -11.159 1.00 1.66 C ATOM 1038 CD1 LEU A 70 9.582 0.543 -11.008 1.00 2.19 C ATOM 1039 CD2 LEU A 70 7.294 0.979 -10.110 1.00 1.83 C ATOM 0 H LEU A 70 6.172 2.976 -11.220 1.00 1.21 H new ATOM 0 HA LEU A 70 8.309 4.865 -11.883 1.00 1.53 H new ATOM 0 HB2 LEU A 70 9.737 3.037 -11.198 1.00 1.64 H new ATOM 0 HB3 LEU A 70 8.471 3.221 -10.001 1.00 1.64 H new ATOM 0 HG LEU A 70 7.903 1.267 -12.154 1.00 1.66 H new ATOM 0 HD11 LEU A 70 9.312 -0.509 -11.105 1.00 2.19 H new ATOM 0 HD12 LEU A 70 10.301 0.806 -11.784 1.00 2.19 H new ATOM 0 HD13 LEU A 70 10.027 0.715 -10.028 1.00 2.19 H new ATOM 0 HD21 LEU A 70 7.074 -0.082 -10.230 1.00 1.83 H new ATOM 0 HD22 LEU A 70 7.695 1.156 -9.112 1.00 1.83 H new ATOM 0 HD23 LEU A 70 6.379 1.556 -10.241 1.00 1.83 H new ATOM 1051 N LYS A 71 7.186 3.892 -14.341 1.00 2.07 N ATOM 1052 CA LYS A 71 7.262 3.599 -15.778 1.00 2.26 C ATOM 1053 C LYS A 71 6.643 4.718 -16.638 1.00 3.95 C ATOM 1054 O LYS A 71 5.675 4.497 -17.367 1.00 5.14 O ATOM 1055 CB LYS A 71 6.650 2.209 -16.061 1.00 2.73 C ATOM 1056 CG LYS A 71 7.209 1.610 -17.366 1.00 3.50 C ATOM 1057 CD LYS A 71 6.243 0.612 -18.027 1.00 4.77 C ATOM 1058 CE LYS A 71 5.203 1.339 -18.898 1.00 5.09 C ATOM 1059 NZ LYS A 71 5.724 1.625 -20.260 1.00 5.97 N ATOM 0 H LYS A 71 6.340 4.393 -14.070 1.00 2.07 H new ATOM 0 HA LYS A 71 8.311 3.567 -16.071 1.00 2.26 H new ATOM 0 HB2 LYS A 71 6.864 1.538 -15.229 1.00 2.73 H new ATOM 0 HB3 LYS A 71 5.566 2.294 -16.132 1.00 2.73 H new ATOM 0 HG2 LYS A 71 7.426 2.416 -18.066 1.00 3.50 H new ATOM 0 HG3 LYS A 71 8.153 1.109 -17.155 1.00 3.50 H new ATOM 0 HD2 LYS A 71 6.806 -0.092 -18.640 1.00 4.77 H new ATOM 0 HD3 LYS A 71 5.735 0.030 -17.258 1.00 4.77 H new ATOM 0 HE2 LYS A 71 4.303 0.729 -18.974 1.00 5.09 H new ATOM 0 HE3 LYS A 71 4.915 2.273 -18.416 1.00 5.09 H new ATOM 0 HZ1 LYS A 71 5.318 2.517 -20.607 1.00 5.97 H new ATOM 0 HZ2 LYS A 71 6.760 1.707 -20.225 1.00 5.97 H new ATOM 0 HZ3 LYS A 71 5.459 0.851 -20.903 1.00 5.97 H new ATOM 1073 N GLN A 72 7.185 5.933 -16.538 1.00 5.12 N ATOM 1074 CA GLN A 72 6.787 7.122 -17.305 1.00 6.92 C ATOM 1075 C GLN A 72 7.088 6.929 -18.802 1.00 6.90 C ATOM 1076 O GLN A 72 8.097 7.390 -19.322 1.00 7.03 O ATOM 1077 CB GLN A 72 7.489 8.385 -16.759 1.00 8.54 C ATOM 1078 CG GLN A 72 7.066 8.810 -15.342 1.00 9.53 C ATOM 1079 CD GLN A 72 7.801 8.087 -14.214 1.00 9.72 C ATOM 1080 OE1 GLN A 72 8.366 7.016 -14.361 1.00 8.92 O ATOM 1081 NE2 GLN A 72 7.819 8.648 -13.030 1.00 11.13 N ATOM 0 H GLN A 72 7.949 6.127 -15.891 1.00 5.12 H new ATOM 0 HA GLN A 72 5.712 7.258 -17.191 1.00 6.92 H new ATOM 0 HB2 GLN A 72 8.565 8.213 -16.763 1.00 8.54 H new ATOM 0 HB3 GLN A 72 7.296 9.212 -17.442 1.00 8.54 H new ATOM 0 HG2 GLN A 72 7.229 9.882 -15.235 1.00 9.53 H new ATOM 0 HG3 GLN A 72 5.996 8.637 -15.230 1.00 9.53 H new ATOM 0 HE21 GLN A 72 7.353 9.544 -12.883 1.00 11.13 H new ATOM 0 HE22 GLN A 72 8.299 8.189 -12.255 1.00 11.13 H new ATOM 1090 N GLN A 73 6.224 6.190 -19.496 1.00 7.15 N ATOM 1091 CA GLN A 73 6.467 5.674 -20.838 1.00 7.08 C ATOM 1092 C GLN A 73 5.117 5.290 -21.468 1.00 8.03 C ATOM 1093 O GLN A 73 4.694 4.135 -21.361 1.00 7.94 O ATOM 1094 CB GLN A 73 7.320 4.403 -20.747 1.00 5.94 C ATOM 1095 CG GLN A 73 8.821 4.464 -20.460 1.00 6.47 C ATOM 1096 CD GLN A 73 9.377 3.036 -20.466 1.00 6.13 C ATOM 1097 OE1 GLN A 73 8.642 2.052 -20.413 1.00 5.84 O ATOM 1098 NE2 GLN A 73 10.675 2.861 -20.551 1.00 7.00 N ATOM 0 H GLN A 73 5.310 5.927 -19.128 1.00 7.15 H new ATOM 0 HA GLN A 73 6.977 6.431 -21.434 1.00 7.08 H new ATOM 0 HB2 GLN A 73 6.875 3.778 -19.973 1.00 5.94 H new ATOM 0 HB3 GLN A 73 7.200 3.873 -21.692 1.00 5.94 H new ATOM 0 HG2 GLN A 73 9.326 5.070 -21.212 1.00 6.47 H new ATOM 0 HG3 GLN A 73 9.003 4.937 -19.495 1.00 6.47 H new ATOM 0 HE21 GLN A 73 11.297 3.668 -20.596 1.00 7.00 H new ATOM 0 HE22 GLN A 73 11.062 1.918 -20.572 1.00 7.00 H new TER 1107 GLN A 73