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 48 HIS : no HD1:sc= -2.47 K(o=-2.3,f=-5.6!) USER MOD Set 1.2: A 52 THR OG1 : rot -87:sc= 0.212 USER MOD Set 2.1: A 33 SER OG : rot 147:sc= 0.691 USER MOD Set 2.2: A 35 GLN : amide:sc= 0.76 X(o=1.5,f=1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.19 (180deg=-0.0662) USER MOD Single : A 3 GLN : amide:sc= 1.32 K(o=1.3,f=-6.1!) USER MOD Single : A 4 THR OG1 : rot 160:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0527 K(o=-0.053,f=-0.67) USER MOD Single : A 8 GLN : amide:sc= 0.261 K(o=0.26,f=-3!) USER MOD Single : A 12 MET CE :methyl 162:sc= -0.395 (180deg=-1.21) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 136:sc= 1.71 USER MOD Single : A 19 SER OG : rot 74:sc= 1.25 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 32 GLN : amide:sc= -1 K(o=-1,f=-0.056) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.281 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -3.56! K(o=-3.6!,f=-0.66) USER MOD Single : A 46 SER OG : rot 77:sc= 0.669 USER MOD Single : A 47 TYR OH : rot 153:sc= 1.23 USER MOD Single : A 51 THR OG1 : rot 12:sc= 1.16 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -49:sc= 1.16 USER MOD Single : A 65 TYR OH : rot 150:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -0.665 K(o=-0.67,f=-4.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.193 K(o=-0.19,f=-6!) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.575 -10.740 -15.228 1.00 9.00 N ATOM 2 CA MET A 1 -1.308 -11.322 -13.891 1.00 7.89 C ATOM 3 C MET A 1 -2.633 -11.594 -13.191 1.00 6.02 C ATOM 4 O MET A 1 -3.666 -11.242 -13.749 1.00 6.16 O ATOM 5 CB MET A 1 -0.409 -10.404 -13.034 1.00 8.54 C ATOM 6 CG MET A 1 0.916 -10.052 -13.723 1.00 10.65 C ATOM 7 SD MET A 1 1.694 -11.444 -14.583 1.00 11.41 S ATOM 8 CE MET A 1 3.293 -10.697 -15.012 1.00 13.39 C ATOM 0 H1 MET A 1 -1.020 -11.249 -15.945 1.00 9.00 H new ATOM 0 H2 MET A 1 -2.588 -10.826 -15.448 1.00 9.00 H new ATOM 0 H3 MET A 1 -1.305 -9.736 -15.230 1.00 9.00 H new ATOM 0 HA MET A 1 -0.766 -12.259 -14.021 1.00 7.89 H new ATOM 0 HB2 MET A 1 -0.949 -9.485 -12.806 1.00 8.54 H new ATOM 0 HB3 MET A 1 -0.199 -10.894 -12.083 1.00 8.54 H new ATOM 0 HG2 MET A 1 0.739 -9.249 -14.439 1.00 10.65 H new ATOM 0 HG3 MET A 1 1.610 -9.666 -12.977 1.00 10.65 H new ATOM 0 HE1 MET A 1 3.901 -11.424 -15.550 1.00 13.39 H new ATOM 0 HE2 MET A 1 3.129 -9.823 -15.643 1.00 13.39 H new ATOM 0 HE3 MET A 1 3.810 -10.395 -14.101 1.00 13.39 H new ATOM 20 N ALA A 2 -2.613 -12.166 -11.983 1.00 4.79 N ATOM 21 CA ALA A 2 -3.720 -12.019 -11.029 1.00 3.28 C ATOM 22 C ALA A 2 -3.911 -10.538 -10.625 1.00 2.20 C ATOM 23 O ALA A 2 -3.125 -9.674 -11.026 1.00 2.50 O ATOM 24 CB ALA A 2 -3.438 -12.926 -9.819 1.00 2.93 C ATOM 0 H ALA A 2 -1.840 -12.737 -11.641 1.00 4.79 H new ATOM 0 HA ALA A 2 -4.659 -12.328 -11.489 1.00 3.28 H new ATOM 0 HB1 ALA A 2 -4.249 -12.832 -9.097 1.00 2.93 H new ATOM 0 HB2 ALA A 2 -3.365 -13.962 -10.150 1.00 2.93 H new ATOM 0 HB3 ALA A 2 -2.500 -12.628 -9.351 1.00 2.93 H new ATOM 30 N GLN A 3 -4.929 -10.242 -9.818 1.00 1.60 N ATOM 31 CA GLN A 3 -5.302 -8.889 -9.393 1.00 1.11 C ATOM 32 C GLN A 3 -4.358 -8.318 -8.314 1.00 1.01 C ATOM 33 O GLN A 3 -4.774 -8.013 -7.199 1.00 1.29 O ATOM 34 CB GLN A 3 -6.819 -8.811 -9.068 1.00 1.59 C ATOM 35 CG GLN A 3 -7.410 -9.504 -7.813 1.00 2.80 C ATOM 36 CD GLN A 3 -7.439 -11.033 -7.799 1.00 4.12 C ATOM 37 OE1 GLN A 3 -6.874 -11.723 -8.640 1.00 3.94 O ATOM 38 NE2 GLN A 3 -8.093 -11.619 -6.820 1.00 5.85 N ATOM 0 H GLN A 3 -5.539 -10.960 -9.428 1.00 1.60 H new ATOM 0 HA GLN A 3 -5.152 -8.208 -10.231 1.00 1.11 H new ATOM 0 HB2 GLN A 3 -7.075 -7.754 -8.998 1.00 1.59 H new ATOM 0 HB3 GLN A 3 -7.350 -9.211 -9.932 1.00 1.59 H new ATOM 0 HG2 GLN A 3 -6.841 -9.170 -6.945 1.00 2.80 H new ATOM 0 HG3 GLN A 3 -8.431 -9.147 -7.681 1.00 2.80 H new ATOM 0 HE21 GLN A 3 -8.567 -11.055 -6.114 1.00 5.85 H new ATOM 0 HE22 GLN A 3 -8.126 -12.637 -6.766 1.00 5.85 H new ATOM 47 N THR A 4 -3.068 -8.173 -8.647 1.00 0.90 N ATOM 48 CA THR A 4 -2.053 -7.457 -7.859 1.00 0.85 C ATOM 49 C THR A 4 -1.629 -6.183 -8.582 1.00 0.94 C ATOM 50 O THR A 4 -1.575 -6.139 -9.810 1.00 1.25 O ATOM 51 CB THR A 4 -0.851 -8.356 -7.501 1.00 0.84 C ATOM 52 OG1 THR A 4 0.001 -7.598 -6.688 1.00 0.95 O ATOM 53 CG2 THR A 4 -0.057 -8.853 -8.710 1.00 1.10 C ATOM 0 H THR A 4 -2.687 -8.567 -9.507 1.00 0.90 H new ATOM 0 HA THR A 4 -2.502 -7.171 -6.908 1.00 0.85 H new ATOM 0 HB THR A 4 -1.240 -9.247 -7.008 1.00 0.84 H new ATOM 0 HG1 THR A 4 0.591 -8.197 -6.184 1.00 0.95 H new ATOM 0 HG21 THR A 4 0.770 -9.477 -8.371 1.00 1.10 H new ATOM 0 HG22 THR A 4 -0.710 -9.436 -9.359 1.00 1.10 H new ATOM 0 HG23 THR A 4 0.336 -8.000 -9.263 1.00 1.10 H new ATOM 61 N ILE A 5 -1.332 -5.151 -7.799 1.00 0.76 N ATOM 62 CA ILE A 5 -0.840 -3.836 -8.215 1.00 0.88 C ATOM 63 C ILE A 5 0.515 -3.636 -7.532 1.00 0.77 C ATOM 64 O ILE A 5 0.630 -3.905 -6.335 1.00 0.69 O ATOM 65 CB ILE A 5 -1.826 -2.720 -7.779 1.00 1.11 C ATOM 66 CG1 ILE A 5 -3.295 -2.977 -8.196 1.00 1.43 C ATOM 67 CG2 ILE A 5 -1.350 -1.348 -8.292 1.00 1.31 C ATOM 68 CD1 ILE A 5 -3.553 -3.065 -9.706 1.00 1.46 C ATOM 0 H ILE A 5 -1.435 -5.213 -6.786 1.00 0.76 H new ATOM 0 HA ILE A 5 -0.748 -3.784 -9.300 1.00 0.88 H new ATOM 0 HB ILE A 5 -1.821 -2.727 -6.689 1.00 1.11 H new ATOM 0 HG12 ILE A 5 -3.627 -3.907 -7.735 1.00 1.43 H new ATOM 0 HG13 ILE A 5 -3.914 -2.179 -7.786 1.00 1.43 H new ATOM 0 HG21 ILE A 5 -2.054 -0.578 -7.977 1.00 1.31 H new ATOM 0 HG22 ILE A 5 -0.364 -1.128 -7.882 1.00 1.31 H new ATOM 0 HG23 ILE A 5 -1.295 -1.366 -9.380 1.00 1.31 H new ATOM 0 HD11 ILE A 5 -4.613 -3.247 -9.884 1.00 1.46 H new ATOM 0 HD12 ILE A 5 -3.261 -2.128 -10.180 1.00 1.46 H new ATOM 0 HD13 ILE A 5 -2.969 -3.883 -10.128 1.00 1.46 H new ATOM 80 N ASN A 6 1.515 -3.183 -8.288 1.00 0.91 N ATOM 81 CA ASN A 6 2.860 -2.877 -7.799 1.00 0.86 C ATOM 82 C ASN A 6 3.227 -1.441 -8.183 1.00 0.88 C ATOM 83 O ASN A 6 3.046 -1.031 -9.332 1.00 1.08 O ATOM 84 CB ASN A 6 3.888 -3.891 -8.335 1.00 0.93 C ATOM 85 CG ASN A 6 4.008 -3.909 -9.852 1.00 1.15 C ATOM 86 OD1 ASN A 6 4.956 -3.404 -10.429 1.00 2.15 O ATOM 87 ND2 ASN A 6 3.048 -4.494 -10.547 1.00 1.22 N ATOM 0 H ASN A 6 1.409 -3.014 -9.288 1.00 0.91 H new ATOM 0 HA ASN A 6 2.874 -2.959 -6.712 1.00 0.86 H new ATOM 0 HB2 ASN A 6 4.864 -3.664 -7.906 1.00 0.93 H new ATOM 0 HB3 ASN A 6 3.613 -4.888 -7.991 1.00 0.93 H new ATOM 0 HD21 ASN A 6 3.101 -4.523 -11.565 1.00 1.22 H new ATOM 0 HD22 ASN A 6 2.255 -4.917 -10.065 1.00 1.22 H new ATOM 94 N LEU A 7 3.704 -0.663 -7.216 1.00 0.81 N ATOM 95 CA LEU A 7 4.027 0.750 -7.372 1.00 0.76 C ATOM 96 C LEU A 7 5.052 1.175 -6.316 1.00 0.71 C ATOM 97 O LEU A 7 5.448 0.379 -5.471 1.00 0.71 O ATOM 98 CB LEU A 7 2.731 1.591 -7.432 1.00 0.78 C ATOM 99 CG LEU A 7 2.070 2.036 -6.109 1.00 0.83 C ATOM 100 CD1 LEU A 7 0.722 2.704 -6.426 1.00 0.85 C ATOM 101 CD2 LEU A 7 1.828 0.881 -5.126 1.00 0.88 C ATOM 0 H LEU A 7 3.882 -1.010 -6.273 1.00 0.81 H new ATOM 0 HA LEU A 7 4.519 0.936 -8.327 1.00 0.76 H new ATOM 0 HB2 LEU A 7 2.947 2.489 -8.011 1.00 0.78 H new ATOM 0 HB3 LEU A 7 1.992 1.019 -7.994 1.00 0.78 H new ATOM 0 HG LEU A 7 2.762 2.727 -5.627 1.00 0.83 H new ATOM 0 HD11 LEU A 7 0.247 3.022 -5.498 1.00 0.85 H new ATOM 0 HD12 LEU A 7 0.887 3.571 -7.065 1.00 0.85 H new ATOM 0 HD13 LEU A 7 0.075 1.993 -6.940 1.00 0.85 H new ATOM 0 HD21 LEU A 7 1.362 1.267 -4.219 1.00 0.88 H new ATOM 0 HD22 LEU A 7 1.171 0.143 -5.586 1.00 0.88 H new ATOM 0 HD23 LEU A 7 2.779 0.413 -4.874 1.00 0.88 H new ATOM 113 N GLN A 8 5.507 2.417 -6.371 1.00 0.67 N ATOM 114 CA GLN A 8 6.360 3.004 -5.347 1.00 0.59 C ATOM 115 C GLN A 8 5.529 3.850 -4.386 1.00 0.60 C ATOM 116 O GLN A 8 4.382 4.208 -4.653 1.00 0.71 O ATOM 117 CB GLN A 8 7.529 3.750 -5.997 1.00 0.61 C ATOM 118 CG GLN A 8 8.640 2.770 -6.395 1.00 0.66 C ATOM 119 CD GLN A 8 9.692 3.443 -7.267 1.00 0.78 C ATOM 120 OE1 GLN A 8 9.724 3.276 -8.477 1.00 1.03 O ATOM 121 NE2 GLN A 8 10.570 4.252 -6.721 1.00 0.93 N ATOM 0 H GLN A 8 5.292 3.055 -7.138 1.00 0.67 H new ATOM 0 HA GLN A 8 6.810 2.221 -4.736 1.00 0.59 H new ATOM 0 HB2 GLN A 8 7.179 4.289 -6.878 1.00 0.61 H new ATOM 0 HB3 GLN A 8 7.923 4.493 -5.304 1.00 0.61 H new ATOM 0 HG2 GLN A 8 9.112 2.369 -5.498 1.00 0.66 H new ATOM 0 HG3 GLN A 8 8.207 1.926 -6.932 1.00 0.66 H new ATOM 0 HE21 GLN A 8 10.563 4.407 -5.713 1.00 0.93 H new ATOM 0 HE22 GLN A 8 11.259 4.725 -7.305 1.00 0.93 H new ATOM 130 N LEU A 9 6.109 4.161 -3.236 1.00 0.55 N ATOM 131 CA LEU A 9 5.417 4.855 -2.163 1.00 0.56 C ATOM 132 C LEU A 9 6.143 6.173 -1.879 1.00 0.57 C ATOM 133 O LEU A 9 7.368 6.208 -1.785 1.00 0.74 O ATOM 134 CB LEU A 9 5.334 3.913 -0.951 1.00 0.61 C ATOM 135 CG LEU A 9 4.398 4.453 0.142 1.00 1.07 C ATOM 136 CD1 LEU A 9 2.935 4.273 -0.248 1.00 1.96 C ATOM 137 CD2 LEU A 9 4.625 3.731 1.479 1.00 1.47 C ATOM 0 H LEU A 9 7.080 3.937 -3.021 1.00 0.55 H new ATOM 0 HA LEU A 9 4.394 5.117 -2.432 1.00 0.56 H new ATOM 0 HB2 LEU A 9 4.982 2.934 -1.277 1.00 0.61 H new ATOM 0 HB3 LEU A 9 6.331 3.771 -0.535 1.00 0.61 H new ATOM 0 HG LEU A 9 4.627 5.513 0.251 1.00 1.07 H new ATOM 0 HD11 LEU A 9 2.297 4.664 0.544 1.00 1.96 H new ATOM 0 HD12 LEU A 9 2.736 4.813 -1.174 1.00 1.96 H new ATOM 0 HD13 LEU A 9 2.725 3.213 -0.393 1.00 1.96 H new ATOM 0 HD21 LEU A 9 3.948 4.136 2.231 1.00 1.47 H new ATOM 0 HD22 LEU A 9 4.433 2.665 1.354 1.00 1.47 H new ATOM 0 HD23 LEU A 9 5.656 3.879 1.802 1.00 1.47 H new ATOM 149 N GLU A 10 5.389 7.261 -1.772 1.00 0.79 N ATOM 150 CA GLU A 10 5.919 8.619 -1.819 1.00 0.78 C ATOM 151 C GLU A 10 6.300 9.101 -0.417 1.00 0.90 C ATOM 152 O GLU A 10 5.514 8.981 0.524 1.00 1.22 O ATOM 153 CB GLU A 10 4.847 9.544 -2.427 1.00 1.43 C ATOM 154 CG GLU A 10 5.368 10.838 -3.059 1.00 1.94 C ATOM 155 CD GLU A 10 6.050 10.528 -4.385 1.00 1.87 C ATOM 156 OE1 GLU A 10 7.220 10.098 -4.326 1.00 3.11 O ATOM 157 OE2 GLU A 10 5.381 10.620 -5.437 1.00 2.56 O ATOM 0 H GLU A 10 4.377 7.224 -1.648 1.00 0.79 H new ATOM 0 HA GLU A 10 6.819 8.637 -2.434 1.00 0.78 H new ATOM 0 HB2 GLU A 10 4.299 8.985 -3.186 1.00 1.43 H new ATOM 0 HB3 GLU A 10 4.133 9.805 -1.646 1.00 1.43 H new ATOM 0 HG2 GLU A 10 4.544 11.533 -3.218 1.00 1.94 H new ATOM 0 HG3 GLU A 10 6.071 11.326 -2.384 1.00 1.94 H new ATOM 164 N GLY A 11 7.487 9.697 -0.278 1.00 1.30 N ATOM 165 CA GLY A 11 7.836 10.499 0.899 1.00 1.78 C ATOM 166 C GLY A 11 8.238 9.720 2.153 1.00 1.57 C ATOM 167 O GLY A 11 8.475 10.374 3.164 1.00 1.79 O ATOM 0 H GLY A 11 8.230 9.638 -0.974 1.00 1.30 H new ATOM 0 HA2 GLY A 11 8.658 11.162 0.630 1.00 1.78 H new ATOM 0 HA3 GLY A 11 6.984 11.132 1.147 1.00 1.78 H new ATOM 171 N MET A 12 8.321 8.378 2.099 1.00 1.38 N ATOM 172 CA MET A 12 8.856 7.406 3.099 1.00 1.33 C ATOM 173 C MET A 12 10.058 7.820 4.006 1.00 1.37 C ATOM 174 O MET A 12 11.092 7.152 4.059 1.00 2.41 O ATOM 175 CB MET A 12 9.232 6.101 2.368 1.00 1.65 C ATOM 176 CG MET A 12 8.088 5.432 1.609 1.00 1.79 C ATOM 177 SD MET A 12 8.486 3.750 1.059 1.00 2.85 S ATOM 178 CE MET A 12 8.573 2.888 2.641 1.00 3.77 C ATOM 0 H MET A 12 7.983 7.886 1.272 1.00 1.38 H new ATOM 0 HA MET A 12 8.032 7.318 3.807 1.00 1.33 H new ATOM 0 HB2 MET A 12 10.037 6.315 1.666 1.00 1.65 H new ATOM 0 HB3 MET A 12 9.626 5.394 3.098 1.00 1.65 H new ATOM 0 HG2 MET A 12 7.206 5.399 2.248 1.00 1.79 H new ATOM 0 HG3 MET A 12 7.831 6.040 0.742 1.00 1.79 H new ATOM 0 HE1 MET A 12 8.490 1.814 2.475 1.00 3.77 H new ATOM 0 HE2 MET A 12 9.525 3.108 3.123 1.00 3.77 H new ATOM 0 HE3 MET A 12 7.756 3.220 3.282 1.00 3.77 H new ATOM 188 N ARG A 13 9.939 8.888 4.798 1.00 1.32 N ATOM 189 CA ARG A 13 11.019 9.479 5.601 1.00 1.56 C ATOM 190 C ARG A 13 11.297 8.722 6.912 1.00 1.47 C ATOM 191 O ARG A 13 11.106 9.276 7.997 1.00 2.19 O ATOM 192 CB ARG A 13 10.755 10.985 5.809 1.00 2.10 C ATOM 193 CG ARG A 13 9.421 11.332 6.509 1.00 3.41 C ATOM 194 CD ARG A 13 9.599 12.273 7.711 1.00 4.99 C ATOM 195 NE ARG A 13 10.145 13.587 7.319 1.00 5.58 N ATOM 196 CZ ARG A 13 10.693 14.492 8.125 1.00 6.95 C ATOM 197 NH1 ARG A 13 10.807 14.306 9.425 1.00 8.01 N ATOM 198 NH2 ARG A 13 11.142 15.621 7.620 1.00 7.71 N ATOM 0 H ARG A 13 9.055 9.386 4.904 1.00 1.32 H new ATOM 0 HA ARG A 13 11.946 9.374 5.038 1.00 1.56 H new ATOM 0 HB2 ARG A 13 11.573 11.403 6.395 1.00 2.10 H new ATOM 0 HB3 ARG A 13 10.775 11.478 4.837 1.00 2.10 H new ATOM 0 HG2 ARG A 13 8.749 11.797 5.788 1.00 3.41 H new ATOM 0 HG3 ARG A 13 8.943 10.411 6.843 1.00 3.41 H new ATOM 0 HD2 ARG A 13 8.637 12.414 8.204 1.00 4.99 H new ATOM 0 HD3 ARG A 13 10.265 11.808 8.438 1.00 4.99 H new ATOM 0 HE ARG A 13 10.097 13.825 6.328 1.00 5.58 H new ATOM 0 HH11 ARG A 13 10.468 13.442 9.848 1.00 8.01 H new ATOM 0 HH12 ARG A 13 11.234 15.026 10.008 1.00 8.01 H new ATOM 0 HH21 ARG A 13 11.068 15.796 6.618 1.00 7.71 H new ATOM 0 HH22 ARG A 13 11.564 16.321 8.231 1.00 7.71 H new ATOM 212 N CYS A 14 11.714 7.453 6.816 1.00 2.25 N ATOM 213 CA CYS A 14 12.160 6.554 7.905 1.00 2.86 C ATOM 214 C CYS A 14 11.021 6.061 8.826 1.00 2.57 C ATOM 215 O CYS A 14 10.969 4.887 9.180 1.00 3.77 O ATOM 216 CB CYS A 14 13.303 7.237 8.685 1.00 4.09 C ATOM 217 SG CYS A 14 14.080 6.036 9.801 1.00 5.43 S ATOM 0 H CYS A 14 11.754 6.986 5.910 1.00 2.25 H new ATOM 0 HA CYS A 14 12.533 5.638 7.446 1.00 2.86 H new ATOM 0 HB2 CYS A 14 14.043 7.636 7.991 1.00 4.09 H new ATOM 0 HB3 CYS A 14 12.914 8.080 9.256 1.00 4.09 H new ATOM 0 HG CYS A 14 15.044 6.612 10.456 1.00 5.43 H new ATOM 223 N ALA A 15 10.071 6.932 9.179 1.00 2.03 N ATOM 224 CA ALA A 15 8.912 6.603 10.009 1.00 2.43 C ATOM 225 C ALA A 15 8.070 5.455 9.416 1.00 2.13 C ATOM 226 O ALA A 15 7.917 5.350 8.201 1.00 3.07 O ATOM 227 CB ALA A 15 8.084 7.880 10.202 1.00 3.60 C ATOM 0 H ALA A 15 10.089 7.909 8.887 1.00 2.03 H new ATOM 0 HA ALA A 15 9.256 6.237 10.976 1.00 2.43 H new ATOM 0 HB1 ALA A 15 7.213 7.659 10.819 1.00 3.60 H new ATOM 0 HB2 ALA A 15 8.694 8.638 10.693 1.00 3.60 H new ATOM 0 HB3 ALA A 15 7.756 8.251 9.231 1.00 3.60 H new ATOM 233 N ALA A 16 7.470 4.632 10.285 1.00 1.56 N ATOM 234 CA ALA A 16 6.869 3.316 9.991 1.00 1.76 C ATOM 235 C ALA A 16 5.579 3.306 9.128 1.00 1.54 C ATOM 236 O ALA A 16 4.782 2.370 9.198 1.00 1.31 O ATOM 237 CB ALA A 16 6.671 2.606 11.339 1.00 2.18 C ATOM 0 H ALA A 16 7.384 4.877 11.271 1.00 1.56 H new ATOM 0 HA ALA A 16 7.562 2.786 9.338 1.00 1.76 H new ATOM 0 HB1 ALA A 16 6.227 1.625 11.172 1.00 2.18 H new ATOM 0 HB2 ALA A 16 7.635 2.489 11.833 1.00 2.18 H new ATOM 0 HB3 ALA A 16 6.010 3.200 11.970 1.00 2.18 H new ATOM 243 N CYS A 17 5.382 4.331 8.295 1.00 1.78 N ATOM 244 CA CYS A 17 4.314 4.519 7.312 1.00 1.88 C ATOM 245 C CYS A 17 3.917 3.226 6.576 1.00 1.42 C ATOM 246 O CYS A 17 2.742 2.871 6.592 1.00 1.10 O ATOM 247 CB CYS A 17 4.816 5.626 6.368 1.00 2.64 C ATOM 248 SG CYS A 17 3.685 5.839 4.974 1.00 5.17 S ATOM 0 H CYS A 17 6.026 5.122 8.292 1.00 1.78 H new ATOM 0 HA CYS A 17 3.384 4.809 7.801 1.00 1.88 H new ATOM 0 HB2 CYS A 17 4.907 6.564 6.916 1.00 2.64 H new ATOM 0 HB3 CYS A 17 5.811 5.374 6.000 1.00 2.64 H new ATOM 0 HG CYS A 17 3.493 7.107 4.761 1.00 5.17 H new ATOM 254 N ALA A 18 4.879 2.500 5.998 1.00 1.55 N ATOM 255 CA ALA A 18 4.632 1.280 5.226 1.00 1.49 C ATOM 256 C ALA A 18 3.891 0.212 6.045 1.00 1.03 C ATOM 257 O ALA A 18 2.808 -0.216 5.660 1.00 1.04 O ATOM 258 CB ALA A 18 5.976 0.774 4.687 1.00 1.91 C ATOM 0 H ALA A 18 5.867 2.748 6.055 1.00 1.55 H new ATOM 0 HA ALA A 18 3.969 1.506 4.391 1.00 1.49 H new ATOM 0 HB1 ALA A 18 5.817 -0.135 4.108 1.00 1.91 H new ATOM 0 HB2 ALA A 18 6.423 1.537 4.049 1.00 1.91 H new ATOM 0 HB3 ALA A 18 6.645 0.561 5.521 1.00 1.91 H new ATOM 264 N SER A 19 4.418 -0.163 7.212 1.00 0.80 N ATOM 265 CA SER A 19 3.763 -1.164 8.073 1.00 0.77 C ATOM 266 C SER A 19 2.497 -0.626 8.764 1.00 0.73 C ATOM 267 O SER A 19 1.545 -1.356 9.043 1.00 1.01 O ATOM 268 CB SER A 19 4.780 -1.748 9.064 1.00 0.98 C ATOM 269 OG SER A 19 4.383 -3.026 9.507 1.00 2.10 O ATOM 0 H SER A 19 5.292 0.206 7.586 1.00 0.80 H new ATOM 0 HA SER A 19 3.408 -1.974 7.436 1.00 0.77 H new ATOM 0 HB2 SER A 19 5.759 -1.813 8.589 1.00 0.98 H new ATOM 0 HB3 SER A 19 4.884 -1.080 9.919 1.00 0.98 H new ATOM 0 HG SER A 19 4.529 -3.680 8.792 1.00 2.10 H new ATOM 275 N SER A 20 2.406 0.692 8.955 1.00 0.68 N ATOM 276 CA SER A 20 1.155 1.326 9.378 1.00 0.92 C ATOM 277 C SER A 20 0.056 1.232 8.300 1.00 0.78 C ATOM 278 O SER A 20 -1.132 1.165 8.630 1.00 0.88 O ATOM 279 CB SER A 20 1.445 2.778 9.769 1.00 1.22 C ATOM 280 OG SER A 20 0.454 3.270 10.651 1.00 1.73 O ATOM 0 H SER A 20 3.182 1.340 8.824 1.00 0.68 H new ATOM 0 HA SER A 20 0.764 0.790 10.243 1.00 0.92 H new ATOM 0 HB2 SER A 20 2.424 2.843 10.243 1.00 1.22 H new ATOM 0 HB3 SER A 20 1.482 3.399 8.874 1.00 1.22 H new ATOM 0 HG SER A 20 0.660 4.198 10.889 1.00 1.73 H new ATOM 286 N ILE A 21 0.432 1.194 7.014 1.00 0.63 N ATOM 287 CA ILE A 21 -0.457 0.889 5.880 1.00 0.67 C ATOM 288 C ILE A 21 -0.782 -0.608 5.851 1.00 0.72 C ATOM 289 O ILE A 21 -1.968 -0.931 5.858 1.00 0.76 O ATOM 290 CB ILE A 21 0.135 1.426 4.549 1.00 0.74 C ATOM 291 CG1 ILE A 21 0.205 2.972 4.561 1.00 0.84 C ATOM 292 CG2 ILE A 21 -0.702 0.969 3.339 1.00 0.84 C ATOM 293 CD1 ILE A 21 1.216 3.546 3.561 1.00 0.93 C ATOM 0 H ILE A 21 1.392 1.380 6.724 1.00 0.63 H new ATOM 0 HA ILE A 21 -1.406 1.410 6.010 1.00 0.67 H new ATOM 0 HB ILE A 21 1.142 1.018 4.458 1.00 0.74 H new ATOM 0 HG12 ILE A 21 -0.783 3.374 4.338 1.00 0.84 H new ATOM 0 HG13 ILE A 21 0.467 3.308 5.564 1.00 0.84 H new ATOM 0 HG21 ILE A 21 -0.261 1.362 2.423 1.00 0.84 H new ATOM 0 HG22 ILE A 21 -0.717 -0.120 3.297 1.00 0.84 H new ATOM 0 HG23 ILE A 21 -1.721 1.342 3.440 1.00 0.84 H new ATOM 0 HD11 ILE A 21 1.212 4.634 3.624 1.00 0.93 H new ATOM 0 HD12 ILE A 21 2.213 3.173 3.796 1.00 0.93 H new ATOM 0 HD13 ILE A 21 0.943 3.240 2.551 1.00 0.93 H new ATOM 305 N GLU A 22 0.209 -1.514 5.913 1.00 0.74 N ATOM 306 CA GLU A 22 -0.014 -2.976 6.016 1.00 0.95 C ATOM 307 C GLU A 22 -1.100 -3.306 7.050 1.00 1.06 C ATOM 308 O GLU A 22 -2.083 -3.980 6.749 1.00 1.12 O ATOM 309 CB GLU A 22 1.257 -3.726 6.458 1.00 1.19 C ATOM 310 CG GLU A 22 2.424 -3.731 5.467 1.00 1.12 C ATOM 311 CD GLU A 22 3.654 -4.415 6.077 1.00 1.77 C ATOM 312 OE1 GLU A 22 3.946 -4.174 7.273 1.00 3.07 O ATOM 313 OE2 GLU A 22 4.318 -5.157 5.326 1.00 2.05 O ATOM 0 H GLU A 22 1.196 -1.256 5.893 1.00 0.74 H new ATOM 0 HA GLU A 22 -0.314 -3.295 5.018 1.00 0.95 H new ATOM 0 HB2 GLU A 22 1.605 -3.287 7.393 1.00 1.19 H new ATOM 0 HB3 GLU A 22 0.986 -4.760 6.672 1.00 1.19 H new ATOM 0 HG2 GLU A 22 2.130 -4.249 4.554 1.00 1.12 H new ATOM 0 HG3 GLU A 22 2.673 -2.708 5.187 1.00 1.12 H new ATOM 320 N ARG A 23 -0.979 -2.747 8.260 1.00 1.12 N ATOM 321 CA ARG A 23 -1.913 -2.976 9.365 1.00 1.29 C ATOM 322 C ARG A 23 -3.347 -2.485 9.093 1.00 1.17 C ATOM 323 O ARG A 23 -4.282 -2.888 9.794 1.00 1.34 O ATOM 324 CB ARG A 23 -1.326 -2.315 10.621 1.00 1.50 C ATOM 325 CG ARG A 23 -1.914 -2.854 11.932 1.00 1.78 C ATOM 326 CD ARG A 23 -1.597 -4.350 12.111 1.00 1.78 C ATOM 327 NE ARG A 23 -1.838 -4.814 13.489 1.00 2.17 N ATOM 328 CZ ARG A 23 -0.992 -4.731 14.512 1.00 2.76 C ATOM 329 NH1 ARG A 23 0.165 -4.109 14.400 1.00 3.66 N ATOM 330 NH2 ARG A 23 -1.305 -5.284 15.667 1.00 3.16 N ATOM 0 H ARG A 23 -0.217 -2.113 8.501 1.00 1.12 H new ATOM 0 HA ARG A 23 -2.018 -4.053 9.500 1.00 1.29 H new ATOM 0 HB2 ARG A 23 -0.246 -2.464 10.629 1.00 1.50 H new ATOM 0 HB3 ARG A 23 -1.499 -1.240 10.570 1.00 1.50 H new ATOM 0 HG2 ARG A 23 -1.510 -2.291 12.773 1.00 1.78 H new ATOM 0 HG3 ARG A 23 -2.994 -2.705 11.938 1.00 1.78 H new ATOM 0 HD2 ARG A 23 -2.208 -4.933 11.422 1.00 1.78 H new ATOM 0 HD3 ARG A 23 -0.556 -4.532 11.846 1.00 1.78 H new ATOM 0 HE ARG A 23 -2.745 -5.242 13.677 1.00 2.17 H new ATOM 0 HH11 ARG A 23 0.429 -3.678 13.514 1.00 3.66 H new ATOM 0 HH12 ARG A 23 0.797 -4.059 15.199 1.00 3.66 H new ATOM 0 HH21 ARG A 23 -2.193 -5.774 15.774 1.00 3.16 H new ATOM 0 HH22 ARG A 23 -0.659 -5.222 16.454 1.00 3.16 H new ATOM 344 N ALA A 24 -3.537 -1.599 8.115 1.00 0.93 N ATOM 345 CA ALA A 24 -4.847 -1.188 7.621 1.00 0.85 C ATOM 346 C ALA A 24 -5.299 -2.018 6.400 1.00 0.69 C ATOM 347 O ALA A 24 -6.471 -2.384 6.325 1.00 0.75 O ATOM 348 CB ALA A 24 -4.790 0.311 7.298 1.00 0.88 C ATOM 0 H ALA A 24 -2.765 -1.138 7.634 1.00 0.93 H new ATOM 0 HA ALA A 24 -5.595 -1.372 8.393 1.00 0.85 H new ATOM 0 HB1 ALA A 24 -5.760 0.640 6.926 1.00 0.88 H new ATOM 0 HB2 ALA A 24 -4.539 0.868 8.200 1.00 0.88 H new ATOM 0 HB3 ALA A 24 -4.030 0.491 6.537 1.00 0.88 H new ATOM 354 N ILE A 25 -4.383 -2.354 5.483 1.00 0.59 N ATOM 355 CA ILE A 25 -4.653 -3.164 4.279 1.00 0.56 C ATOM 356 C ILE A 25 -5.016 -4.605 4.645 1.00 0.55 C ATOM 357 O ILE A 25 -5.881 -5.189 3.996 1.00 0.55 O ATOM 358 CB ILE A 25 -3.442 -3.118 3.318 1.00 0.68 C ATOM 359 CG1 ILE A 25 -3.188 -1.712 2.731 1.00 0.71 C ATOM 360 CG2 ILE A 25 -3.585 -4.120 2.157 1.00 0.88 C ATOM 361 CD1 ILE A 25 -4.326 -1.128 1.883 1.00 1.92 C ATOM 0 H ILE A 25 -3.408 -2.065 5.556 1.00 0.59 H new ATOM 0 HA ILE A 25 -5.514 -2.735 3.767 1.00 0.56 H new ATOM 0 HB ILE A 25 -2.587 -3.395 3.934 1.00 0.68 H new ATOM 0 HG12 ILE A 25 -2.984 -1.027 3.554 1.00 0.71 H new ATOM 0 HG13 ILE A 25 -2.287 -1.752 2.119 1.00 0.71 H new ATOM 0 HG21 ILE A 25 -2.712 -4.052 1.508 1.00 0.88 H new ATOM 0 HG22 ILE A 25 -3.663 -5.131 2.557 1.00 0.88 H new ATOM 0 HG23 ILE A 25 -4.482 -3.887 1.583 1.00 0.88 H new ATOM 0 HD11 ILE A 25 -4.041 -0.140 1.522 1.00 1.92 H new ATOM 0 HD12 ILE A 25 -4.519 -1.783 1.033 1.00 1.92 H new ATOM 0 HD13 ILE A 25 -5.227 -1.046 2.490 1.00 1.92 H new ATOM 373 N ALA A 26 -4.458 -5.138 5.737 1.00 0.60 N ATOM 374 CA ALA A 26 -4.772 -6.450 6.324 1.00 0.61 C ATOM 375 C ALA A 26 -6.259 -6.664 6.700 1.00 0.58 C ATOM 376 O ALA A 26 -6.611 -7.679 7.295 1.00 0.79 O ATOM 377 CB ALA A 26 -3.848 -6.638 7.536 1.00 0.69 C ATOM 0 H ALA A 26 -3.738 -4.643 6.264 1.00 0.60 H new ATOM 0 HA ALA A 26 -4.597 -7.210 5.562 1.00 0.61 H new ATOM 0 HB1 ALA A 26 -4.050 -7.603 8.001 1.00 0.69 H new ATOM 0 HB2 ALA A 26 -2.809 -6.603 7.210 1.00 0.69 H new ATOM 0 HB3 ALA A 26 -4.029 -5.842 8.258 1.00 0.69 H new ATOM 383 N LYS A 27 -7.131 -5.698 6.399 1.00 0.53 N ATOM 384 CA LYS A 27 -8.587 -5.758 6.552 1.00 0.60 C ATOM 385 C LYS A 27 -9.350 -5.723 5.208 1.00 0.58 C ATOM 386 O LYS A 27 -10.566 -5.902 5.198 1.00 0.66 O ATOM 387 CB LYS A 27 -9.009 -4.585 7.423 1.00 0.73 C ATOM 388 CG LYS A 27 -8.359 -4.696 8.812 1.00 0.90 C ATOM 389 CD LYS A 27 -8.666 -3.418 9.563 1.00 1.82 C ATOM 390 CE LYS A 27 -7.722 -3.282 10.759 1.00 1.84 C ATOM 391 NZ LYS A 27 -7.865 -1.956 11.398 1.00 3.01 N ATOM 0 H LYS A 27 -6.822 -4.803 6.021 1.00 0.53 H new ATOM 0 HA LYS A 27 -8.842 -6.713 7.011 1.00 0.60 H new ATOM 0 HB2 LYS A 27 -8.717 -3.647 6.950 1.00 0.73 H new ATOM 0 HB3 LYS A 27 -10.094 -4.567 7.521 1.00 0.73 H new ATOM 0 HG2 LYS A 27 -8.750 -5.560 9.350 1.00 0.90 H new ATOM 0 HG3 LYS A 27 -7.282 -4.838 8.721 1.00 0.90 H new ATOM 0 HD2 LYS A 27 -8.554 -2.560 8.900 1.00 1.82 H new ATOM 0 HD3 LYS A 27 -9.701 -3.425 9.904 1.00 1.82 H new ATOM 0 HE2 LYS A 27 -7.935 -4.065 11.486 1.00 1.84 H new ATOM 0 HE3 LYS A 27 -6.692 -3.423 10.432 1.00 1.84 H new ATOM 0 HZ1 LYS A 27 -7.214 -1.888 12.206 1.00 3.01 H new ATOM 0 HZ2 LYS A 27 -7.638 -1.212 10.708 1.00 3.01 H new ATOM 0 HZ3 LYS A 27 -8.843 -1.834 11.730 1.00 3.01 H new ATOM 405 N VAL A 28 -8.678 -5.432 4.091 1.00 0.55 N ATOM 406 CA VAL A 28 -9.317 -5.127 2.798 1.00 0.64 C ATOM 407 C VAL A 28 -9.800 -6.424 2.135 1.00 0.71 C ATOM 408 O VAL A 28 -9.037 -7.395 2.094 1.00 0.61 O ATOM 409 CB VAL A 28 -8.356 -4.332 1.877 1.00 0.69 C ATOM 410 CG1 VAL A 28 -8.901 -4.101 0.457 1.00 0.97 C ATOM 411 CG2 VAL A 28 -8.056 -2.952 2.490 1.00 1.03 C ATOM 0 H VAL A 28 -7.659 -5.400 4.054 1.00 0.55 H new ATOM 0 HA VAL A 28 -10.186 -4.493 2.973 1.00 0.64 H new ATOM 0 HB VAL A 28 -7.459 -4.946 1.797 1.00 0.69 H new ATOM 0 HG11 VAL A 28 -8.172 -3.538 -0.126 1.00 0.97 H new ATOM 0 HG12 VAL A 28 -9.085 -5.062 -0.023 1.00 0.97 H new ATOM 0 HG13 VAL A 28 -9.833 -3.538 0.512 1.00 0.97 H new ATOM 0 HG21 VAL A 28 -7.380 -2.402 1.835 1.00 1.03 H new ATOM 0 HG22 VAL A 28 -8.986 -2.394 2.603 1.00 1.03 H new ATOM 0 HG23 VAL A 28 -7.589 -3.081 3.467 1.00 1.03 H new ATOM 421 N PRO A 29 -11.047 -6.477 1.619 1.00 1.00 N ATOM 422 CA PRO A 29 -11.614 -7.706 1.086 1.00 1.26 C ATOM 423 C PRO A 29 -10.785 -8.207 -0.097 1.00 1.32 C ATOM 424 O PRO A 29 -10.513 -7.468 -1.040 1.00 2.98 O ATOM 425 CB PRO A 29 -13.067 -7.392 0.711 1.00 1.62 C ATOM 426 CG PRO A 29 -13.073 -5.875 0.533 1.00 1.59 C ATOM 427 CD PRO A 29 -12.042 -5.415 1.561 1.00 1.20 C ATOM 0 HA PRO A 29 -11.596 -8.515 1.816 1.00 1.26 H new ATOM 0 HB2 PRO A 29 -13.364 -7.904 -0.204 1.00 1.62 H new ATOM 0 HB3 PRO A 29 -13.759 -7.707 1.492 1.00 1.62 H new ATOM 0 HG2 PRO A 29 -12.793 -5.585 -0.480 1.00 1.59 H new ATOM 0 HG3 PRO A 29 -14.057 -5.448 0.727 1.00 1.59 H new ATOM 0 HD2 PRO A 29 -11.589 -4.469 1.265 1.00 1.20 H new ATOM 0 HD3 PRO A 29 -12.504 -5.257 2.536 1.00 1.20 H new ATOM 435 N GLY A 30 -10.346 -9.465 -0.013 1.00 1.14 N ATOM 436 CA GLY A 30 -9.464 -10.068 -1.014 1.00 1.28 C ATOM 437 C GLY A 30 -7.983 -9.697 -0.884 1.00 0.86 C ATOM 438 O GLY A 30 -7.245 -9.960 -1.829 1.00 0.86 O ATOM 0 H GLY A 30 -10.592 -10.094 0.751 1.00 1.14 H new ATOM 0 HA2 GLY A 30 -9.558 -11.152 -0.952 1.00 1.28 H new ATOM 0 HA3 GLY A 30 -9.810 -9.774 -2.005 1.00 1.28 H new ATOM 442 N VAL A 31 -7.539 -9.111 0.243 1.00 0.65 N ATOM 443 CA VAL A 31 -6.106 -8.993 0.609 1.00 0.54 C ATOM 444 C VAL A 31 -5.444 -10.371 0.488 1.00 0.59 C ATOM 445 O VAL A 31 -5.686 -11.292 1.264 1.00 0.85 O ATOM 446 CB VAL A 31 -5.878 -8.321 1.985 1.00 0.56 C ATOM 447 CG1 VAL A 31 -6.474 -9.058 3.199 1.00 0.97 C ATOM 448 CG2 VAL A 31 -4.380 -8.062 2.218 1.00 0.75 C ATOM 0 H VAL A 31 -8.166 -8.701 0.935 1.00 0.65 H new ATOM 0 HA VAL A 31 -5.623 -8.314 -0.094 1.00 0.54 H new ATOM 0 HB VAL A 31 -6.432 -7.384 1.921 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -6.254 -8.498 4.108 1.00 0.97 H new ATOM 0 HG12 VAL A 31 -7.554 -9.144 3.078 1.00 0.97 H new ATOM 0 HG13 VAL A 31 -6.036 -10.054 3.271 1.00 0.97 H new ATOM 0 HG21 VAL A 31 -4.239 -7.589 3.190 1.00 0.75 H new ATOM 0 HG22 VAL A 31 -3.839 -9.008 2.193 1.00 0.75 H new ATOM 0 HG23 VAL A 31 -3.998 -7.405 1.436 1.00 0.75 H new ATOM 458 N GLN A 32 -4.663 -10.511 -0.576 1.00 0.51 N ATOM 459 CA GLN A 32 -3.975 -11.723 -0.995 1.00 0.61 C ATOM 460 C GLN A 32 -2.599 -11.809 -0.355 1.00 0.61 C ATOM 461 O GLN A 32 -2.140 -12.899 -0.038 1.00 0.85 O ATOM 462 CB GLN A 32 -3.798 -11.683 -2.525 1.00 1.23 C ATOM 463 CG GLN A 32 -4.759 -12.595 -3.294 1.00 1.43 C ATOM 464 CD GLN A 32 -4.548 -14.090 -3.011 1.00 2.84 C ATOM 465 OE1 GLN A 32 -5.285 -14.934 -3.488 1.00 3.98 O ATOM 466 NE2 GLN A 32 -3.528 -14.496 -2.269 1.00 3.04 N ATOM 0 H GLN A 32 -4.483 -9.731 -1.208 1.00 0.51 H new ATOM 0 HA GLN A 32 -4.565 -12.587 -0.689 1.00 0.61 H new ATOM 0 HB2 GLN A 32 -3.935 -10.658 -2.868 1.00 1.23 H new ATOM 0 HB3 GLN A 32 -2.774 -11.966 -2.768 1.00 1.23 H new ATOM 0 HG2 GLN A 32 -5.784 -12.327 -3.038 1.00 1.43 H new ATOM 0 HG3 GLN A 32 -4.640 -12.416 -4.363 1.00 1.43 H new ATOM 0 HE21 GLN A 32 -2.894 -13.812 -1.856 1.00 3.04 H new ATOM 0 HE22 GLN A 32 -3.377 -15.492 -2.111 1.00 3.04 H new ATOM 475 N SER A 33 -1.943 -10.660 -0.194 1.00 0.55 N ATOM 476 CA SER A 33 -0.689 -10.469 0.521 1.00 0.69 C ATOM 477 C SER A 33 -0.312 -8.993 0.415 1.00 0.60 C ATOM 478 O SER A 33 -0.465 -8.402 -0.655 1.00 0.62 O ATOM 479 CB SER A 33 0.438 -11.342 -0.060 1.00 1.01 C ATOM 480 OG SER A 33 1.710 -11.011 0.475 1.00 2.18 O ATOM 0 H SER A 33 -2.298 -9.787 -0.584 1.00 0.55 H new ATOM 0 HA SER A 33 -0.820 -10.767 1.561 1.00 0.69 H new ATOM 0 HB2 SER A 33 0.223 -12.391 0.144 1.00 1.01 H new ATOM 0 HB3 SER A 33 0.461 -11.226 -1.144 1.00 1.01 H new ATOM 0 HG SER A 33 2.261 -11.819 0.532 1.00 2.18 H new ATOM 486 N CYS A 34 0.214 -8.417 1.499 1.00 0.70 N ATOM 487 CA CYS A 34 0.957 -7.162 1.452 1.00 0.55 C ATOM 488 C CYS A 34 2.454 -7.483 1.431 1.00 0.50 C ATOM 489 O CYS A 34 2.922 -8.336 2.186 1.00 0.83 O ATOM 490 CB CYS A 34 0.620 -6.287 2.669 1.00 0.76 C ATOM 491 SG CYS A 34 -1.148 -6.327 3.075 1.00 1.07 S ATOM 0 H CYS A 34 0.134 -8.812 2.436 1.00 0.70 H new ATOM 0 HA CYS A 34 0.681 -6.608 0.555 1.00 0.55 H new ATOM 0 HB2 CYS A 34 1.196 -6.627 3.529 1.00 0.76 H new ATOM 0 HB3 CYS A 34 0.922 -5.259 2.470 1.00 0.76 H new ATOM 0 HG CYS A 34 -1.373 -5.573 4.110 1.00 1.07 H new ATOM 497 N GLN A 35 3.188 -6.811 0.554 1.00 0.54 N ATOM 498 CA GLN A 35 4.640 -6.878 0.427 1.00 0.90 C ATOM 499 C GLN A 35 5.121 -5.445 0.147 1.00 0.77 C ATOM 500 O GLN A 35 4.566 -4.782 -0.729 1.00 0.67 O ATOM 501 CB GLN A 35 4.999 -7.806 -0.751 1.00 1.30 C ATOM 502 CG GLN A 35 4.706 -9.303 -0.522 1.00 1.98 C ATOM 503 CD GLN A 35 4.482 -10.092 -1.819 1.00 2.52 C ATOM 504 OE1 GLN A 35 5.241 -10.012 -2.772 1.00 3.44 O ATOM 505 NE2 GLN A 35 3.429 -10.891 -1.886 1.00 2.62 N ATOM 0 H GLN A 35 2.768 -6.173 -0.122 1.00 0.54 H new ATOM 0 HA GLN A 35 5.111 -7.272 1.327 1.00 0.90 H new ATOM 0 HB2 GLN A 35 4.450 -7.476 -1.633 1.00 1.30 H new ATOM 0 HB3 GLN A 35 6.060 -7.690 -0.974 1.00 1.30 H new ATOM 0 HG2 GLN A 35 5.538 -9.748 0.025 1.00 1.98 H new ATOM 0 HG3 GLN A 35 3.822 -9.399 0.109 1.00 1.98 H new ATOM 0 HE21 GLN A 35 2.791 -10.962 -1.093 1.00 2.62 H new ATOM 0 HE22 GLN A 35 3.255 -11.436 -2.731 1.00 2.62 H new ATOM 514 N VAL A 36 6.130 -4.950 0.868 1.00 1.09 N ATOM 515 CA VAL A 36 6.641 -3.575 0.779 1.00 0.90 C ATOM 516 C VAL A 36 8.061 -3.553 1.350 1.00 0.77 C ATOM 517 O VAL A 36 8.326 -4.205 2.359 1.00 0.89 O ATOM 518 CB VAL A 36 5.687 -2.548 1.455 1.00 1.07 C ATOM 519 CG1 VAL A 36 5.361 -2.889 2.920 1.00 1.88 C ATOM 520 CG2 VAL A 36 6.222 -1.105 1.406 1.00 1.30 C ATOM 0 H VAL A 36 6.633 -5.513 1.554 1.00 1.09 H new ATOM 0 HA VAL A 36 6.681 -3.261 -0.264 1.00 0.90 H new ATOM 0 HB VAL A 36 4.774 -2.616 0.863 1.00 1.07 H new ATOM 0 HG11 VAL A 36 4.692 -2.132 3.329 1.00 1.88 H new ATOM 0 HG12 VAL A 36 4.878 -3.865 2.968 1.00 1.88 H new ATOM 0 HG13 VAL A 36 6.282 -2.912 3.502 1.00 1.88 H new ATOM 0 HG21 VAL A 36 5.512 -0.437 1.893 1.00 1.30 H new ATOM 0 HG22 VAL A 36 7.181 -1.055 1.922 1.00 1.30 H new ATOM 0 HG23 VAL A 36 6.353 -0.800 0.368 1.00 1.30 H new ATOM 530 N ASN A 37 8.986 -2.855 0.680 1.00 0.67 N ATOM 531 CA ASN A 37 10.415 -2.895 1.016 1.00 0.73 C ATOM 532 C ASN A 37 11.003 -1.494 1.243 1.00 0.78 C ATOM 533 O ASN A 37 11.233 -0.727 0.300 1.00 0.88 O ATOM 534 CB ASN A 37 11.199 -3.739 -0.011 1.00 1.13 C ATOM 535 CG ASN A 37 12.070 -4.781 0.664 1.00 2.09 C ATOM 536 OD1 ASN A 37 12.890 -4.459 1.509 1.00 2.74 O ATOM 537 ND2 ASN A 37 11.905 -6.045 0.323 1.00 2.51 N ATOM 0 H ASN A 37 8.766 -2.247 -0.109 1.00 0.67 H new ATOM 0 HA ASN A 37 10.521 -3.400 1.976 1.00 0.73 H new ATOM 0 HB2 ASN A 37 10.499 -4.232 -0.686 1.00 1.13 H new ATOM 0 HB3 ASN A 37 11.822 -3.084 -0.620 1.00 1.13 H new ATOM 0 HD21 ASN A 37 12.467 -6.771 0.768 1.00 2.51 H new ATOM 0 HD22 ASN A 37 11.215 -6.296 -0.385 1.00 2.51 H new ATOM 544 N PHE A 38 11.257 -1.176 2.521 1.00 0.77 N ATOM 545 CA PHE A 38 11.675 0.134 3.042 1.00 0.83 C ATOM 546 C PHE A 38 13.165 0.421 2.750 1.00 0.91 C ATOM 547 O PHE A 38 13.983 0.589 3.649 1.00 1.26 O ATOM 548 CB PHE A 38 11.299 0.217 4.541 1.00 0.92 C ATOM 549 CG PHE A 38 10.899 1.599 5.038 1.00 1.02 C ATOM 550 CD1 PHE A 38 11.722 2.723 4.823 1.00 2.30 C ATOM 551 CD2 PHE A 38 9.675 1.762 5.719 1.00 1.86 C ATOM 552 CE1 PHE A 38 11.311 3.997 5.254 1.00 2.74 C ATOM 553 CE2 PHE A 38 9.267 3.036 6.155 1.00 2.46 C ATOM 554 CZ PHE A 38 10.083 4.155 5.916 1.00 2.42 C ATOM 0 H PHE A 38 11.171 -1.869 3.264 1.00 0.77 H new ATOM 0 HA PHE A 38 11.141 0.930 2.523 1.00 0.83 H new ATOM 0 HB2 PHE A 38 10.475 -0.471 4.730 1.00 0.92 H new ATOM 0 HB3 PHE A 38 12.147 -0.131 5.131 1.00 0.92 H new ATOM 0 HD1 PHE A 38 12.673 2.605 4.325 1.00 2.30 H new ATOM 0 HD2 PHE A 38 9.047 0.904 5.907 1.00 1.86 H new ATOM 0 HE1 PHE A 38 11.941 4.856 5.075 1.00 2.74 H new ATOM 0 HE2 PHE A 38 8.327 3.154 6.673 1.00 2.46 H new ATOM 0 HZ PHE A 38 9.766 5.135 6.241 1.00 2.42 H new ATOM 564 N ALA A 39 13.505 0.432 1.459 1.00 0.74 N ATOM 565 CA ALA A 39 14.848 0.603 0.898 1.00 0.92 C ATOM 566 C ALA A 39 14.804 0.951 -0.602 1.00 0.86 C ATOM 567 O ALA A 39 15.672 1.666 -1.087 1.00 1.10 O ATOM 568 CB ALA A 39 15.649 -0.688 1.139 1.00 1.10 C ATOM 0 H ALA A 39 12.803 0.314 0.729 1.00 0.74 H new ATOM 0 HA ALA A 39 15.335 1.441 1.397 1.00 0.92 H new ATOM 0 HB1 ALA A 39 16.652 -0.576 0.727 1.00 1.10 H new ATOM 0 HB2 ALA A 39 15.716 -0.880 2.210 1.00 1.10 H new ATOM 0 HB3 ALA A 39 15.147 -1.524 0.651 1.00 1.10 H new ATOM 574 N LEU A 40 13.780 0.473 -1.324 1.00 0.71 N ATOM 575 CA LEU A 40 13.574 0.633 -2.757 1.00 0.75 C ATOM 576 C LEU A 40 12.146 1.186 -3.043 1.00 0.64 C ATOM 577 O LEU A 40 11.652 1.163 -4.165 1.00 0.78 O ATOM 578 CB LEU A 40 13.949 -0.771 -3.298 1.00 0.91 C ATOM 579 CG LEU A 40 13.448 -1.170 -4.680 1.00 1.01 C ATOM 580 CD1 LEU A 40 13.926 -0.232 -5.802 1.00 1.10 C ATOM 581 CD2 LEU A 40 13.909 -2.598 -5.014 1.00 1.15 C ATOM 0 H LEU A 40 13.032 -0.067 -0.889 1.00 0.71 H new ATOM 0 HA LEU A 40 14.179 1.382 -3.269 1.00 0.75 H new ATOM 0 HB2 LEU A 40 15.036 -0.845 -3.304 1.00 0.91 H new ATOM 0 HB3 LEU A 40 13.583 -1.510 -2.586 1.00 0.91 H new ATOM 0 HG LEU A 40 12.361 -1.104 -4.635 1.00 1.01 H new ATOM 0 HD11 LEU A 40 13.531 -0.577 -6.758 1.00 1.10 H new ATOM 0 HD12 LEU A 40 13.571 0.780 -5.607 1.00 1.10 H new ATOM 0 HD13 LEU A 40 15.015 -0.233 -5.838 1.00 1.10 H new ATOM 0 HD21 LEU A 40 13.546 -2.875 -6.004 1.00 1.15 H new ATOM 0 HD22 LEU A 40 14.998 -2.641 -5.001 1.00 1.15 H new ATOM 0 HD23 LEU A 40 13.510 -3.292 -4.274 1.00 1.15 H new ATOM 593 N GLU A 41 11.459 1.685 -2.006 1.00 0.55 N ATOM 594 CA GLU A 41 10.183 2.431 -2.053 1.00 0.54 C ATOM 595 C GLU A 41 8.963 1.624 -2.529 1.00 0.48 C ATOM 596 O GLU A 41 7.847 2.130 -2.461 1.00 0.53 O ATOM 597 CB GLU A 41 10.285 3.693 -2.932 1.00 0.73 C ATOM 598 CG GLU A 41 11.306 4.726 -2.449 1.00 0.86 C ATOM 599 CD GLU A 41 11.390 5.865 -3.463 1.00 1.13 C ATOM 600 OE1 GLU A 41 11.729 5.574 -4.630 1.00 2.33 O ATOM 601 OE2 GLU A 41 11.080 7.030 -3.144 1.00 1.71 O ATOM 0 H GLU A 41 11.796 1.574 -1.050 1.00 0.55 H new ATOM 0 HA GLU A 41 10.015 2.690 -1.008 1.00 0.54 H new ATOM 0 HB2 GLU A 41 10.544 3.393 -3.947 1.00 0.73 H new ATOM 0 HB3 GLU A 41 9.304 4.166 -2.980 1.00 0.73 H new ATOM 0 HG2 GLU A 41 11.014 5.114 -1.473 1.00 0.86 H new ATOM 0 HG3 GLU A 41 12.283 4.259 -2.328 1.00 0.86 H new ATOM 608 N GLN A 42 9.119 0.407 -3.052 1.00 0.47 N ATOM 609 CA GLN A 42 8.012 -0.309 -3.694 1.00 0.43 C ATOM 610 C GLN A 42 7.084 -0.956 -2.671 1.00 0.37 C ATOM 611 O GLN A 42 7.551 -1.549 -1.697 1.00 0.60 O ATOM 612 CB GLN A 42 8.449 -1.315 -4.786 1.00 0.59 C ATOM 613 CG GLN A 42 8.786 -2.754 -4.329 1.00 0.77 C ATOM 614 CD GLN A 42 10.076 -2.839 -3.535 1.00 0.88 C ATOM 615 OE1 GLN A 42 11.028 -3.500 -3.898 1.00 1.39 O ATOM 616 NE2 GLN A 42 10.167 -2.180 -2.410 1.00 2.43 N ATOM 0 H GLN A 42 10.001 -0.105 -3.044 1.00 0.47 H new ATOM 0 HA GLN A 42 7.449 0.460 -4.223 1.00 0.43 H new ATOM 0 HB2 GLN A 42 7.653 -1.374 -5.528 1.00 0.59 H new ATOM 0 HB3 GLN A 42 9.325 -0.907 -5.290 1.00 0.59 H new ATOM 0 HG2 GLN A 42 7.966 -3.137 -3.721 1.00 0.77 H new ATOM 0 HG3 GLN A 42 8.862 -3.399 -5.205 1.00 0.77 H new ATOM 0 HE21 GLN A 42 9.381 -1.618 -2.083 1.00 2.43 H new ATOM 0 HE22 GLN A 42 11.024 -2.228 -1.859 1.00 2.43 H new ATOM 625 N ALA A 43 5.790 -0.929 -2.971 1.00 0.37 N ATOM 626 CA ALA A 43 4.784 -1.816 -2.411 1.00 0.37 C ATOM 627 C ALA A 43 4.183 -2.667 -3.538 1.00 0.49 C ATOM 628 O ALA A 43 4.042 -2.195 -4.667 1.00 0.74 O ATOM 629 CB ALA A 43 3.728 -0.964 -1.698 1.00 0.46 C ATOM 0 H ALA A 43 5.401 -0.262 -3.637 1.00 0.37 H new ATOM 0 HA ALA A 43 5.218 -2.499 -1.680 1.00 0.37 H new ATOM 0 HB1 ALA A 43 2.964 -1.614 -1.271 1.00 0.46 H new ATOM 0 HB2 ALA A 43 4.201 -0.389 -0.902 1.00 0.46 H new ATOM 0 HB3 ALA A 43 3.267 -0.283 -2.413 1.00 0.46 H new ATOM 635 N VAL A 44 3.815 -3.907 -3.226 1.00 0.46 N ATOM 636 CA VAL A 44 3.029 -4.771 -4.112 1.00 0.52 C ATOM 637 C VAL A 44 1.964 -5.487 -3.306 1.00 0.49 C ATOM 638 O VAL A 44 2.261 -6.131 -2.300 1.00 0.58 O ATOM 639 CB VAL A 44 3.878 -5.738 -4.970 1.00 0.77 C ATOM 640 CG1 VAL A 44 4.839 -6.651 -4.198 1.00 0.91 C ATOM 641 CG2 VAL A 44 3.002 -6.613 -5.881 1.00 0.86 C ATOM 0 H VAL A 44 4.056 -4.349 -2.339 1.00 0.46 H new ATOM 0 HA VAL A 44 2.545 -4.128 -4.847 1.00 0.52 H new ATOM 0 HB VAL A 44 4.498 -5.059 -5.556 1.00 0.77 H new ATOM 0 HG11 VAL A 44 5.381 -7.285 -4.900 1.00 0.91 H new ATOM 0 HG12 VAL A 44 5.548 -6.042 -3.637 1.00 0.91 H new ATOM 0 HG13 VAL A 44 4.272 -7.276 -3.508 1.00 0.91 H new ATOM 0 HG21 VAL A 44 3.637 -7.278 -6.467 1.00 0.86 H new ATOM 0 HG22 VAL A 44 2.321 -7.206 -5.271 1.00 0.86 H new ATOM 0 HG23 VAL A 44 2.426 -5.976 -6.553 1.00 0.86 H new ATOM 651 N VAL A 45 0.710 -5.321 -3.724 1.00 0.56 N ATOM 652 CA VAL A 45 -0.445 -5.838 -2.984 1.00 0.51 C ATOM 653 C VAL A 45 -1.471 -6.339 -3.993 1.00 0.53 C ATOM 654 O VAL A 45 -1.799 -5.658 -4.964 1.00 0.60 O ATOM 655 CB VAL A 45 -1.087 -4.785 -2.043 1.00 0.51 C ATOM 656 CG1 VAL A 45 -2.111 -5.409 -1.090 1.00 0.77 C ATOM 657 CG2 VAL A 45 -0.067 -4.014 -1.180 1.00 0.87 C ATOM 0 H VAL A 45 0.464 -4.827 -4.582 1.00 0.56 H new ATOM 0 HA VAL A 45 -0.101 -6.647 -2.339 1.00 0.51 H new ATOM 0 HB VAL A 45 -1.571 -4.088 -2.727 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -2.533 -4.633 -0.451 1.00 0.77 H new ATOM 0 HG12 VAL A 45 -2.908 -5.877 -1.668 1.00 0.77 H new ATOM 0 HG13 VAL A 45 -1.621 -6.161 -0.472 1.00 0.77 H new ATOM 0 HG21 VAL A 45 -0.592 -3.297 -0.549 1.00 0.87 H new ATOM 0 HG22 VAL A 45 0.482 -4.715 -0.552 1.00 0.87 H new ATOM 0 HG23 VAL A 45 0.631 -3.484 -1.828 1.00 0.87 H new ATOM 667 N SER A 46 -2.009 -7.524 -3.735 1.00 0.55 N ATOM 668 CA SER A 46 -3.306 -7.928 -4.271 1.00 0.63 C ATOM 669 C SER A 46 -4.318 -7.903 -3.122 1.00 0.57 C ATOM 670 O SER A 46 -3.982 -8.266 -1.996 1.00 0.62 O ATOM 671 CB SER A 46 -3.190 -9.258 -5.024 1.00 0.86 C ATOM 672 OG SER A 46 -4.429 -9.903 -5.206 1.00 1.57 O ATOM 0 H SER A 46 -1.562 -8.231 -3.151 1.00 0.55 H new ATOM 0 HA SER A 46 -3.672 -7.234 -5.027 1.00 0.63 H new ATOM 0 HB2 SER A 46 -2.735 -9.078 -5.998 1.00 0.86 H new ATOM 0 HB3 SER A 46 -2.520 -9.921 -4.477 1.00 0.86 H new ATOM 0 HG SER A 46 -4.923 -9.464 -5.929 1.00 1.57 H new ATOM 678 N TYR A 47 -5.515 -7.368 -3.384 1.00 0.87 N ATOM 679 CA TYR A 47 -6.412 -6.780 -2.376 1.00 0.83 C ATOM 680 C TYR A 47 -7.824 -6.501 -2.909 1.00 0.98 C ATOM 681 O TYR A 47 -8.416 -5.454 -2.660 1.00 1.34 O ATOM 682 CB TYR A 47 -5.765 -5.613 -1.583 1.00 0.90 C ATOM 683 CG TYR A 47 -5.116 -4.398 -2.262 1.00 0.91 C ATOM 684 CD1 TYR A 47 -4.491 -4.450 -3.528 1.00 1.48 C ATOM 685 CD2 TYR A 47 -4.984 -3.214 -1.507 1.00 1.63 C ATOM 686 CE1 TYR A 47 -3.744 -3.367 -4.018 1.00 1.58 C ATOM 687 CE2 TYR A 47 -4.205 -2.134 -1.971 1.00 1.73 C ATOM 688 CZ TYR A 47 -3.568 -2.216 -3.230 1.00 1.23 C ATOM 689 OH TYR A 47 -2.807 -1.197 -3.713 1.00 1.47 O ATOM 0 H TYR A 47 -5.900 -7.330 -4.328 1.00 0.87 H new ATOM 0 HA TYR A 47 -6.566 -7.552 -1.622 1.00 0.83 H new ATOM 0 HB2 TYR A 47 -6.539 -5.221 -0.923 1.00 0.90 H new ATOM 0 HB3 TYR A 47 -4.999 -6.058 -0.948 1.00 0.90 H new ATOM 0 HD1 TYR A 47 -4.590 -5.341 -4.131 1.00 1.48 H new ATOM 0 HD2 TYR A 47 -5.489 -3.133 -0.556 1.00 1.63 H new ATOM 0 HE1 TYR A 47 -3.303 -3.418 -5.003 1.00 1.58 H new ATOM 0 HE2 TYR A 47 -4.095 -1.246 -1.366 1.00 1.73 H new ATOM 0 HH TYR A 47 -3.102 -0.351 -3.316 1.00 1.47 H new ATOM 699 N HIS A 48 -8.345 -7.441 -3.704 1.00 1.09 N ATOM 700 CA HIS A 48 -9.623 -7.294 -4.415 1.00 1.31 C ATOM 701 C HIS A 48 -10.318 -8.648 -4.668 1.00 1.47 C ATOM 702 O HIS A 48 -9.657 -9.619 -5.058 1.00 1.72 O ATOM 703 CB HIS A 48 -9.430 -6.559 -5.765 1.00 1.44 C ATOM 704 CG HIS A 48 -8.250 -5.628 -5.867 1.00 1.37 C ATOM 705 ND1 HIS A 48 -8.288 -4.234 -5.830 1.00 1.19 N ATOM 706 CD2 HIS A 48 -6.964 -6.033 -6.055 1.00 1.59 C ATOM 707 CE1 HIS A 48 -7.014 -3.831 -5.960 1.00 1.32 C ATOM 708 NE2 HIS A 48 -6.202 -4.886 -6.135 1.00 1.61 N ATOM 0 H HIS A 48 -7.887 -8.336 -3.875 1.00 1.09 H new ATOM 0 HA HIS A 48 -10.265 -6.700 -3.764 1.00 1.31 H new ATOM 0 HB2 HIS A 48 -9.340 -7.309 -6.551 1.00 1.44 H new ATOM 0 HB3 HIS A 48 -10.334 -5.986 -5.973 1.00 1.44 H new ATOM 0 HD2 HIS A 48 -6.610 -7.051 -6.127 1.00 1.59 H new ATOM 0 HE1 HIS A 48 -6.688 -2.802 -5.928 1.00 1.32 H new ATOM 0 HE2 HIS A 48 -5.196 -4.846 -6.299 1.00 1.61 H new ATOM 716 N GLY A 49 -11.647 -8.665 -4.516 1.00 1.64 N ATOM 717 CA GLY A 49 -12.543 -9.721 -4.998 1.00 1.94 C ATOM 718 C GLY A 49 -13.147 -9.334 -6.348 1.00 1.72 C ATOM 719 O GLY A 49 -12.422 -9.052 -7.301 1.00 2.39 O ATOM 0 H GLY A 49 -12.146 -7.916 -4.036 1.00 1.64 H new ATOM 0 HA2 GLY A 49 -11.993 -10.657 -5.094 1.00 1.94 H new ATOM 0 HA3 GLY A 49 -13.338 -9.891 -4.272 1.00 1.94 H new ATOM 723 N GLU A 50 -14.476 -9.299 -6.405 1.00 2.17 N ATOM 724 CA GLU A 50 -15.301 -9.103 -7.604 1.00 2.54 C ATOM 725 C GLU A 50 -15.134 -7.733 -8.295 1.00 2.61 C ATOM 726 O GLU A 50 -15.627 -7.550 -9.408 1.00 3.49 O ATOM 727 CB GLU A 50 -16.793 -9.300 -7.257 1.00 3.17 C ATOM 728 CG GLU A 50 -17.146 -10.574 -6.466 1.00 3.95 C ATOM 729 CD GLU A 50 -17.015 -10.365 -4.955 1.00 4.24 C ATOM 730 OE1 GLU A 50 -18.007 -9.923 -4.345 1.00 4.70 O ATOM 731 OE2 GLU A 50 -15.891 -10.577 -4.444 1.00 4.72 O ATOM 0 H GLU A 50 -15.045 -9.413 -5.566 1.00 2.17 H new ATOM 0 HA GLU A 50 -14.947 -9.852 -8.313 1.00 2.54 H new ATOM 0 HB2 GLU A 50 -17.128 -8.436 -6.682 1.00 3.17 H new ATOM 0 HB3 GLU A 50 -17.363 -9.305 -8.186 1.00 3.17 H new ATOM 0 HG2 GLU A 50 -18.166 -10.877 -6.703 1.00 3.95 H new ATOM 0 HG3 GLU A 50 -16.491 -11.388 -6.778 1.00 3.95 H new ATOM 738 N THR A 51 -14.468 -6.757 -7.660 1.00 2.35 N ATOM 739 CA THR A 51 -14.217 -5.399 -8.181 1.00 2.62 C ATOM 740 C THR A 51 -13.071 -4.749 -7.406 1.00 2.47 C ATOM 741 O THR A 51 -12.941 -4.935 -6.196 1.00 2.93 O ATOM 742 CB THR A 51 -15.507 -4.558 -8.133 1.00 3.00 C ATOM 743 OG1 THR A 51 -16.331 -4.971 -9.195 1.00 4.01 O ATOM 744 CG2 THR A 51 -15.304 -3.052 -8.319 1.00 3.87 C ATOM 0 H THR A 51 -14.072 -6.895 -6.730 1.00 2.35 H new ATOM 0 HA THR A 51 -13.915 -5.459 -9.227 1.00 2.62 H new ATOM 0 HB THR A 51 -15.927 -4.716 -7.140 1.00 3.00 H new ATOM 0 HG1 THR A 51 -15.975 -5.797 -9.583 1.00 4.01 H new ATOM 0 HG21 THR A 51 -16.268 -2.546 -8.270 1.00 3.87 H new ATOM 0 HG22 THR A 51 -14.654 -2.672 -7.530 1.00 3.87 H new ATOM 0 HG23 THR A 51 -14.845 -2.864 -9.289 1.00 3.87 H new ATOM 752 N THR A 52 -12.245 -3.973 -8.115 1.00 2.76 N ATOM 753 CA THR A 52 -11.126 -3.192 -7.570 1.00 2.81 C ATOM 754 C THR A 52 -11.614 -1.805 -7.125 1.00 1.72 C ATOM 755 O THR A 52 -12.062 -1.039 -7.978 1.00 2.32 O ATOM 756 CB THR A 52 -10.022 -3.089 -8.632 1.00 4.19 C ATOM 757 OG1 THR A 52 -9.349 -4.321 -8.666 1.00 5.26 O ATOM 758 CG2 THR A 52 -8.975 -2.013 -8.354 1.00 4.75 C ATOM 0 H THR A 52 -12.340 -3.866 -9.125 1.00 2.76 H new ATOM 0 HA THR A 52 -10.717 -3.690 -6.691 1.00 2.81 H new ATOM 0 HB THR A 52 -10.513 -2.825 -9.568 1.00 4.19 H new ATOM 0 HG1 THR A 52 -8.631 -4.320 -7.999 1.00 5.26 H new ATOM 0 HG21 THR A 52 -8.235 -2.011 -9.154 1.00 4.75 H new ATOM 0 HG22 THR A 52 -9.460 -1.038 -8.305 1.00 4.75 H new ATOM 0 HG23 THR A 52 -8.482 -2.221 -7.404 1.00 4.75 H new ATOM 766 N PRO A 53 -11.526 -1.451 -5.826 1.00 1.46 N ATOM 767 CA PRO A 53 -11.821 -0.107 -5.348 1.00 1.79 C ATOM 768 C PRO A 53 -10.591 0.796 -5.499 1.00 1.38 C ATOM 769 O PRO A 53 -9.462 0.365 -5.277 1.00 1.39 O ATOM 770 CB PRO A 53 -12.204 -0.291 -3.877 1.00 3.17 C ATOM 771 CG PRO A 53 -11.325 -1.462 -3.436 1.00 3.52 C ATOM 772 CD PRO A 53 -11.228 -2.327 -4.695 1.00 2.65 C ATOM 0 HA PRO A 53 -12.620 0.373 -5.913 1.00 1.79 H new ATOM 0 HB2 PRO A 53 -12.003 0.607 -3.292 1.00 3.17 H new ATOM 0 HB3 PRO A 53 -13.264 -0.516 -3.761 1.00 3.17 H new ATOM 0 HG2 PRO A 53 -10.343 -1.125 -3.104 1.00 3.52 H new ATOM 0 HG3 PRO A 53 -11.772 -2.009 -2.606 1.00 3.52 H new ATOM 0 HD2 PRO A 53 -10.232 -2.760 -4.792 1.00 2.65 H new ATOM 0 HD3 PRO A 53 -11.934 -3.157 -4.651 1.00 2.65 H new ATOM 780 N GLN A 54 -10.800 2.084 -5.789 1.00 1.34 N ATOM 781 CA GLN A 54 -9.721 3.084 -5.852 1.00 1.37 C ATOM 782 C GLN A 54 -8.989 3.256 -4.505 1.00 1.28 C ATOM 783 O GLN A 54 -7.848 3.716 -4.475 1.00 1.53 O ATOM 784 CB GLN A 54 -10.308 4.402 -6.381 1.00 1.73 C ATOM 785 CG GLN A 54 -9.243 5.443 -6.763 1.00 3.02 C ATOM 786 CD GLN A 54 -9.848 6.542 -7.631 1.00 3.62 C ATOM 787 OE1 GLN A 54 -10.180 6.334 -8.785 1.00 4.11 O ATOM 788 NE2 GLN A 54 -10.056 7.735 -7.118 1.00 4.15 N ATOM 0 H GLN A 54 -11.724 2.467 -5.988 1.00 1.34 H new ATOM 0 HA GLN A 54 -8.951 2.735 -6.540 1.00 1.37 H new ATOM 0 HB2 GLN A 54 -10.926 4.190 -7.254 1.00 1.73 H new ATOM 0 HB3 GLN A 54 -10.964 4.828 -5.622 1.00 1.73 H new ATOM 0 HG2 GLN A 54 -8.815 5.880 -5.861 1.00 3.02 H new ATOM 0 HG3 GLN A 54 -8.428 4.957 -7.299 1.00 3.02 H new ATOM 0 HE21 GLN A 54 -9.786 7.930 -6.154 1.00 4.15 H new ATOM 0 HE22 GLN A 54 -10.488 8.465 -7.684 1.00 4.15 H new ATOM 797 N ILE A 55 -9.604 2.799 -3.405 1.00 1.17 N ATOM 798 CA ILE A 55 -9.032 2.691 -2.048 1.00 1.21 C ATOM 799 C ILE A 55 -7.714 1.891 -2.019 1.00 1.02 C ATOM 800 O ILE A 55 -6.914 2.068 -1.103 1.00 1.07 O ATOM 801 CB ILE A 55 -10.108 2.147 -1.067 1.00 1.45 C ATOM 802 CG1 ILE A 55 -11.315 3.121 -1.014 1.00 1.86 C ATOM 803 CG2 ILE A 55 -9.550 1.921 0.353 1.00 1.64 C ATOM 804 CD1 ILE A 55 -12.526 2.602 -0.227 1.00 2.13 C ATOM 0 H ILE A 55 -10.571 2.475 -3.436 1.00 1.17 H new ATOM 0 HA ILE A 55 -8.750 3.688 -1.711 1.00 1.21 H new ATOM 0 HB ILE A 55 -10.431 1.177 -1.445 1.00 1.45 H new ATOM 0 HG12 ILE A 55 -10.986 4.061 -0.570 1.00 1.86 H new ATOM 0 HG13 ILE A 55 -11.630 3.343 -2.034 1.00 1.86 H new ATOM 0 HG21 ILE A 55 -10.342 1.541 0.999 1.00 1.64 H new ATOM 0 HG22 ILE A 55 -8.736 1.198 0.313 1.00 1.64 H new ATOM 0 HG23 ILE A 55 -9.178 2.865 0.752 1.00 1.64 H new ATOM 0 HD11 ILE A 55 -13.319 3.350 -0.245 1.00 2.13 H new ATOM 0 HD12 ILE A 55 -12.887 1.679 -0.681 1.00 2.13 H new ATOM 0 HD13 ILE A 55 -12.233 2.408 0.805 1.00 2.13 H new ATOM 816 N LEU A 56 -7.428 1.097 -3.062 1.00 0.97 N ATOM 817 CA LEU A 56 -6.112 0.486 -3.300 1.00 1.05 C ATOM 818 C LEU A 56 -4.959 1.506 -3.189 1.00 1.04 C ATOM 819 O LEU A 56 -3.855 1.148 -2.775 1.00 1.18 O ATOM 820 CB LEU A 56 -6.152 -0.254 -4.664 1.00 1.26 C ATOM 821 CG LEU A 56 -5.849 0.585 -5.933 1.00 1.30 C ATOM 822 CD1 LEU A 56 -4.343 0.654 -6.247 1.00 1.62 C ATOM 823 CD2 LEU A 56 -6.532 -0.019 -7.164 1.00 1.55 C ATOM 0 H LEU A 56 -8.116 0.858 -3.776 1.00 0.97 H new ATOM 0 HA LEU A 56 -5.901 -0.242 -2.517 1.00 1.05 H new ATOM 0 HB2 LEU A 56 -5.438 -1.076 -4.624 1.00 1.26 H new ATOM 0 HB3 LEU A 56 -7.141 -0.697 -4.780 1.00 1.26 H new ATOM 0 HG LEU A 56 -6.227 1.585 -5.720 1.00 1.30 H new ATOM 0 HD11 LEU A 56 -4.185 1.253 -7.144 1.00 1.62 H new ATOM 0 HD12 LEU A 56 -3.817 1.111 -5.409 1.00 1.62 H new ATOM 0 HD13 LEU A 56 -3.959 -0.353 -6.411 1.00 1.62 H new ATOM 0 HD21 LEU A 56 -6.304 0.587 -8.041 1.00 1.55 H new ATOM 0 HD22 LEU A 56 -6.168 -1.034 -7.321 1.00 1.55 H new ATOM 0 HD23 LEU A 56 -7.611 -0.040 -7.008 1.00 1.55 H new ATOM 835 N THR A 57 -5.233 2.757 -3.593 1.00 1.07 N ATOM 836 CA THR A 57 -4.345 3.928 -3.474 1.00 1.22 C ATOM 837 C THR A 57 -4.540 4.666 -2.152 1.00 1.17 C ATOM 838 O THR A 57 -3.581 4.800 -1.400 1.00 1.19 O ATOM 839 CB THR A 57 -4.469 4.893 -4.666 1.00 1.50 C ATOM 840 OG1 THR A 57 -5.774 5.397 -4.849 1.00 1.62 O ATOM 841 CG2 THR A 57 -4.035 4.249 -5.982 1.00 3.29 C ATOM 0 H THR A 57 -6.123 2.992 -4.033 1.00 1.07 H new ATOM 0 HA THR A 57 -3.330 3.532 -3.487 1.00 1.22 H new ATOM 0 HB THR A 57 -3.802 5.716 -4.409 1.00 1.50 H new ATOM 0 HG1 THR A 57 -6.415 4.656 -4.841 1.00 1.62 H new ATOM 0 HG21 THR A 57 -4.141 4.970 -6.792 1.00 3.29 H new ATOM 0 HG22 THR A 57 -2.993 3.937 -5.908 1.00 3.29 H new ATOM 0 HG23 THR A 57 -4.661 3.380 -6.186 1.00 3.29 H new ATOM 849 N ASP A 58 -5.767 5.101 -1.861 1.00 1.25 N ATOM 850 CA ASP A 58 -6.191 5.966 -0.738 1.00 1.45 C ATOM 851 C ASP A 58 -5.627 5.560 0.629 1.00 1.20 C ATOM 852 O ASP A 58 -5.346 6.410 1.471 1.00 1.20 O ATOM 853 CB ASP A 58 -7.728 5.937 -0.701 1.00 1.76 C ATOM 854 CG ASP A 58 -8.371 7.073 0.098 1.00 2.40 C ATOM 855 OD1 ASP A 58 -8.288 8.224 -0.387 1.00 3.76 O ATOM 856 OD2 ASP A 58 -9.024 6.751 1.116 1.00 2.20 O ATOM 0 H ASP A 58 -6.561 4.841 -2.447 1.00 1.25 H new ATOM 0 HA ASP A 58 -5.794 6.965 -0.918 1.00 1.45 H new ATOM 0 HB2 ASP A 58 -8.103 5.973 -1.724 1.00 1.76 H new ATOM 0 HB3 ASP A 58 -8.050 4.986 -0.277 1.00 1.76 H new ATOM 861 N ALA A 59 -5.353 4.272 0.836 1.00 1.03 N ATOM 862 CA ALA A 59 -4.679 3.805 2.034 1.00 1.00 C ATOM 863 C ALA A 59 -3.287 4.415 2.273 1.00 1.06 C ATOM 864 O ALA A 59 -2.864 4.397 3.418 1.00 1.40 O ATOM 865 CB ALA A 59 -4.630 2.279 1.979 1.00 1.06 C ATOM 0 H ALA A 59 -5.593 3.531 0.178 1.00 1.03 H new ATOM 0 HA ALA A 59 -5.255 4.147 2.894 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.128 1.899 2.869 1.00 1.06 H new ATOM 0 HB2 ALA A 59 -5.645 1.884 1.938 1.00 1.06 H new ATOM 0 HB3 ALA A 59 -4.082 1.964 1.091 1.00 1.06 H new ATOM 871 N VAL A 60 -2.577 4.984 1.297 1.00 0.91 N ATOM 872 CA VAL A 60 -1.304 5.708 1.570 1.00 0.92 C ATOM 873 C VAL A 60 -1.530 7.033 2.308 1.00 0.89 C ATOM 874 O VAL A 60 -0.780 7.392 3.224 1.00 0.93 O ATOM 875 CB VAL A 60 -0.489 5.924 0.282 1.00 1.20 C ATOM 876 CG1 VAL A 60 -0.251 4.575 -0.424 1.00 1.39 C ATOM 877 CG2 VAL A 60 -1.171 6.897 -0.685 1.00 2.71 C ATOM 0 H VAL A 60 -2.847 4.966 0.314 1.00 0.91 H new ATOM 0 HA VAL A 60 -0.722 5.069 2.234 1.00 0.92 H new ATOM 0 HB VAL A 60 0.463 6.366 0.575 1.00 1.20 H new ATOM 0 HG11 VAL A 60 0.326 4.738 -1.334 1.00 1.39 H new ATOM 0 HG12 VAL A 60 0.299 3.909 0.240 1.00 1.39 H new ATOM 0 HG13 VAL A 60 -1.210 4.123 -0.678 1.00 1.39 H new ATOM 0 HG21 VAL A 60 -0.556 7.015 -1.577 1.00 2.71 H new ATOM 0 HG22 VAL A 60 -2.148 6.505 -0.967 1.00 2.71 H new ATOM 0 HG23 VAL A 60 -1.295 7.865 -0.200 1.00 2.71 H new ATOM 887 N GLU A 61 -2.635 7.693 1.977 1.00 0.88 N ATOM 888 CA GLU A 61 -3.169 8.846 2.695 1.00 0.99 C ATOM 889 C GLU A 61 -3.531 8.491 4.157 1.00 0.95 C ATOM 890 O GLU A 61 -3.455 9.377 5.007 1.00 1.42 O ATOM 891 CB GLU A 61 -4.355 9.464 1.917 1.00 1.02 C ATOM 892 CG GLU A 61 -4.068 10.860 1.332 1.00 2.34 C ATOM 893 CD GLU A 61 -3.291 10.866 0.008 1.00 1.48 C ATOM 894 OE1 GLU A 61 -2.503 9.934 -0.266 1.00 2.06 O ATOM 895 OE2 GLU A 61 -3.429 11.838 -0.773 1.00 2.21 O ATOM 0 H GLU A 61 -3.204 7.431 1.172 1.00 0.88 H new ATOM 0 HA GLU A 61 -2.391 9.607 2.756 1.00 0.99 H new ATOM 0 HB2 GLU A 61 -4.632 8.792 1.105 1.00 1.02 H new ATOM 0 HB3 GLU A 61 -5.216 9.531 2.582 1.00 1.02 H new ATOM 0 HG2 GLU A 61 -5.017 11.375 1.181 1.00 2.34 H new ATOM 0 HG3 GLU A 61 -3.506 11.436 2.067 1.00 2.34 H new ATOM 902 N ARG A 62 -3.779 7.211 4.524 1.00 0.70 N ATOM 903 CA ARG A 62 -3.971 6.796 5.944 1.00 0.85 C ATOM 904 C ARG A 62 -2.851 7.252 6.874 1.00 0.94 C ATOM 905 O ARG A 62 -3.070 7.365 8.085 1.00 1.15 O ATOM 906 CB ARG A 62 -4.196 5.274 6.124 1.00 0.89 C ATOM 907 CG ARG A 62 -2.971 4.349 6.380 1.00 1.34 C ATOM 908 CD ARG A 62 -2.209 4.339 7.721 1.00 1.13 C ATOM 909 NE ARG A 62 -3.024 4.699 8.894 1.00 1.60 N ATOM 910 CZ ARG A 62 -3.085 4.090 10.074 1.00 1.33 C ATOM 911 NH1 ARG A 62 -2.585 2.894 10.295 1.00 2.35 N ATOM 912 NH2 ARG A 62 -3.652 4.723 11.080 1.00 2.31 N ATOM 0 H ARG A 62 -3.852 6.442 3.858 1.00 0.70 H new ATOM 0 HA ARG A 62 -4.886 7.313 6.232 1.00 0.85 H new ATOM 0 HB2 ARG A 62 -4.887 5.141 6.957 1.00 0.89 H new ATOM 0 HB3 ARG A 62 -4.701 4.909 5.230 1.00 0.89 H new ATOM 0 HG2 ARG A 62 -3.309 3.328 6.205 1.00 1.34 H new ATOM 0 HG3 ARG A 62 -2.239 4.579 5.606 1.00 1.34 H new ATOM 0 HD2 ARG A 62 -1.790 3.345 7.878 1.00 1.13 H new ATOM 0 HD3 ARG A 62 -1.370 5.031 7.652 1.00 1.13 H new ATOM 0 HE ARG A 62 -3.618 5.521 8.787 1.00 1.60 H new ATOM 0 HH11 ARG A 62 -2.122 2.387 9.540 1.00 2.35 H new ATOM 0 HH12 ARG A 62 -2.660 2.473 11.221 1.00 2.35 H new ATOM 0 HH21 ARG A 62 -4.032 5.660 10.944 1.00 2.31 H new ATOM 0 HH22 ARG A 62 -3.711 4.277 11.995 1.00 2.31 H new ATOM 926 N ALA A 63 -1.633 7.377 6.343 1.00 0.96 N ATOM 927 CA ALA A 63 -0.448 7.803 7.084 1.00 1.28 C ATOM 928 C ALA A 63 -0.154 9.311 6.956 1.00 1.61 C ATOM 929 O ALA A 63 0.660 9.819 7.725 1.00 2.06 O ATOM 930 CB ALA A 63 0.731 6.954 6.587 1.00 1.38 C ATOM 0 H ALA A 63 -1.441 7.179 5.361 1.00 0.96 H new ATOM 0 HA ALA A 63 -0.620 7.647 8.149 1.00 1.28 H new ATOM 0 HB1 ALA A 63 1.637 7.244 7.119 1.00 1.38 H new ATOM 0 HB2 ALA A 63 0.523 5.900 6.771 1.00 1.38 H new ATOM 0 HB3 ALA A 63 0.870 7.115 5.518 1.00 1.38 H new ATOM 936 N GLY A 64 -0.762 9.999 5.981 1.00 1.42 N ATOM 937 CA GLY A 64 -0.444 11.371 5.575 1.00 1.73 C ATOM 938 C GLY A 64 0.576 11.421 4.437 1.00 1.75 C ATOM 939 O GLY A 64 1.195 12.461 4.227 1.00 2.05 O ATOM 0 H GLY A 64 -1.521 9.596 5.431 1.00 1.42 H new ATOM 0 HA2 GLY A 64 -1.358 11.875 5.262 1.00 1.73 H new ATOM 0 HA3 GLY A 64 -0.055 11.920 6.433 1.00 1.73 H new ATOM 943 N TYR A 65 0.801 10.293 3.743 1.00 1.53 N ATOM 944 CA TYR A 65 1.828 10.187 2.706 1.00 1.73 C ATOM 945 C TYR A 65 1.178 10.230 1.304 1.00 1.78 C ATOM 946 O TYR A 65 0.115 10.828 1.136 1.00 2.30 O ATOM 947 CB TYR A 65 2.731 8.966 3.000 1.00 1.69 C ATOM 948 CG TYR A 65 3.665 9.146 4.194 1.00 1.78 C ATOM 949 CD1 TYR A 65 3.144 9.248 5.495 1.00 2.88 C ATOM 950 CD2 TYR A 65 5.064 9.198 4.022 1.00 2.00 C ATOM 951 CE1 TYR A 65 3.978 9.427 6.611 1.00 2.97 C ATOM 952 CE2 TYR A 65 5.916 9.361 5.136 1.00 2.20 C ATOM 953 CZ TYR A 65 5.375 9.485 6.434 1.00 2.11 C ATOM 954 OH TYR A 65 6.190 9.667 7.511 1.00 2.34 O ATOM 0 H TYR A 65 0.274 9.432 3.889 1.00 1.53 H new ATOM 0 HA TYR A 65 2.499 11.046 2.716 1.00 1.73 H new ATOM 0 HB2 TYR A 65 2.099 8.096 3.177 1.00 1.69 H new ATOM 0 HB3 TYR A 65 3.330 8.751 2.115 1.00 1.69 H new ATOM 0 HD1 TYR A 65 2.076 9.187 5.641 1.00 2.88 H new ATOM 0 HD2 TYR A 65 5.486 9.113 3.032 1.00 2.00 H new ATOM 0 HE1 TYR A 65 3.551 9.520 7.599 1.00 2.97 H new ATOM 0 HE2 TYR A 65 6.986 9.391 4.994 1.00 2.20 H new ATOM 0 HH TYR A 65 7.053 9.234 7.345 1.00 2.34 H new ATOM 964 N HIS A 66 1.816 9.632 0.287 1.00 1.46 N ATOM 965 CA HIS A 66 1.243 9.484 -1.055 1.00 1.34 C ATOM 966 C HIS A 66 1.791 8.230 -1.747 1.00 1.41 C ATOM 967 O HIS A 66 2.631 7.529 -1.187 1.00 1.70 O ATOM 968 CB HIS A 66 1.405 10.784 -1.871 1.00 1.29 C ATOM 969 CG HIS A 66 0.198 11.063 -2.723 1.00 0.93 C ATOM 970 ND1 HIS A 66 -1.094 11.208 -2.257 1.00 2.18 N ATOM 971 CD2 HIS A 66 0.172 11.195 -4.084 1.00 2.61 C ATOM 972 CE1 HIS A 66 -1.894 11.432 -3.309 1.00 2.71 C ATOM 973 NE2 HIS A 66 -1.148 11.434 -4.434 1.00 3.28 N ATOM 0 H HIS A 66 2.751 9.235 0.376 1.00 1.46 H new ATOM 0 HA HIS A 66 0.168 9.326 -0.973 1.00 1.34 H new ATOM 0 HB2 HIS A 66 1.572 11.621 -1.192 1.00 1.29 H new ATOM 0 HB3 HIS A 66 2.288 10.707 -2.506 1.00 1.29 H new ATOM 0 HD1 HIS A 66 -1.388 11.154 -1.282 1.00 2.18 H new ATOM 0 HD2 HIS A 66 1.015 11.126 -4.755 1.00 2.61 H new ATOM 0 HE1 HIS A 66 -2.962 11.586 -3.264 1.00 2.71 H new ATOM 982 N ALA A 67 1.346 7.945 -2.971 1.00 1.31 N ATOM 983 CA ALA A 67 1.903 6.882 -3.811 1.00 1.44 C ATOM 984 C ALA A 67 2.594 7.478 -5.047 1.00 1.44 C ATOM 985 O ALA A 67 2.309 8.609 -5.439 1.00 1.93 O ATOM 986 CB ALA A 67 0.786 5.917 -4.223 1.00 1.44 C ATOM 0 H ALA A 67 0.579 8.452 -3.413 1.00 1.31 H new ATOM 0 HA ALA A 67 2.653 6.332 -3.243 1.00 1.44 H new ATOM 0 HB1 ALA A 67 1.201 5.126 -4.848 1.00 1.44 H new ATOM 0 HB2 ALA A 67 0.338 5.478 -3.332 1.00 1.44 H new ATOM 0 HB3 ALA A 67 0.024 6.460 -4.783 1.00 1.44 H new ATOM 992 N ARG A 68 3.465 6.674 -5.651 1.00 1.00 N ATOM 993 CA ARG A 68 4.440 7.032 -6.678 1.00 1.15 C ATOM 994 C ARG A 68 4.420 5.950 -7.757 1.00 1.03 C ATOM 995 O ARG A 68 4.387 4.755 -7.483 1.00 0.99 O ATOM 996 CB ARG A 68 5.797 7.103 -5.962 1.00 1.37 C ATOM 997 CG ARG A 68 7.100 7.074 -6.765 1.00 1.16 C ATOM 998 CD ARG A 68 7.652 8.449 -7.188 1.00 1.75 C ATOM 999 NE ARG A 68 9.129 8.437 -7.156 1.00 2.28 N ATOM 1000 CZ ARG A 68 9.851 8.250 -6.049 1.00 2.97 C ATOM 1001 NH1 ARG A 68 9.379 8.457 -4.844 1.00 3.45 N ATOM 1002 NH2 ARG A 68 11.071 7.781 -6.124 1.00 4.10 N ATOM 0 H ARG A 68 3.511 5.682 -5.418 1.00 1.00 H new ATOM 0 HA ARG A 68 4.227 7.984 -7.164 1.00 1.15 H new ATOM 0 HB2 ARG A 68 5.802 8.020 -5.372 1.00 1.37 H new ATOM 0 HB3 ARG A 68 5.834 6.271 -5.258 1.00 1.37 H new ATOM 0 HG2 ARG A 68 7.860 6.564 -6.173 1.00 1.16 H new ATOM 0 HG3 ARG A 68 6.940 6.475 -7.662 1.00 1.16 H new ATOM 0 HD2 ARG A 68 7.305 8.696 -8.191 1.00 1.75 H new ATOM 0 HD3 ARG A 68 7.273 9.223 -6.520 1.00 1.75 H new ATOM 0 HE ARG A 68 9.628 8.580 -8.034 1.00 2.28 H new ATOM 0 HH11 ARG A 68 8.418 8.776 -4.721 1.00 3.45 H new ATOM 0 HH12 ARG A 68 9.973 8.299 -4.030 1.00 3.45 H new ATOM 0 HH21 ARG A 68 11.476 7.556 -7.033 1.00 4.10 H new ATOM 0 HH22 ARG A 68 11.617 7.641 -5.274 1.00 4.10 H new ATOM 1016 N VAL A 69 4.454 6.362 -9.010 1.00 1.27 N ATOM 1017 CA VAL A 69 4.466 5.477 -10.164 1.00 1.28 C ATOM 1018 C VAL A 69 5.881 5.009 -10.482 1.00 1.20 C ATOM 1019 O VAL A 69 6.810 5.813 -10.547 1.00 1.52 O ATOM 1020 CB VAL A 69 3.812 6.171 -11.374 1.00 1.77 C ATOM 1021 CG1 VAL A 69 2.281 6.135 -11.242 1.00 2.33 C ATOM 1022 CG2 VAL A 69 4.274 7.623 -11.613 1.00 2.97 C ATOM 0 H VAL A 69 4.475 7.350 -9.263 1.00 1.27 H new ATOM 0 HA VAL A 69 3.880 4.589 -9.927 1.00 1.28 H new ATOM 0 HB VAL A 69 4.142 5.603 -12.244 1.00 1.77 H new ATOM 0 HG11 VAL A 69 1.830 6.628 -12.103 1.00 2.33 H new ATOM 0 HG12 VAL A 69 1.944 5.099 -11.199 1.00 2.33 H new ATOM 0 HG13 VAL A 69 1.982 6.652 -10.330 1.00 2.33 H new ATOM 0 HG21 VAL A 69 3.761 8.029 -12.485 1.00 2.97 H new ATOM 0 HG22 VAL A 69 4.038 8.229 -10.738 1.00 2.97 H new ATOM 0 HG23 VAL A 69 5.350 7.639 -11.786 1.00 2.97 H new ATOM 1032 N LEU A 70 6.014 3.695 -10.676 1.00 1.04 N ATOM 1033 CA LEU A 70 7.251 3.037 -11.096 1.00 1.15 C ATOM 1034 C LEU A 70 7.222 2.757 -12.601 1.00 1.19 C ATOM 1035 O LEU A 70 6.149 2.703 -13.199 1.00 1.69 O ATOM 1036 CB LEU A 70 7.495 1.800 -10.210 1.00 1.28 C ATOM 1037 CG LEU A 70 6.620 0.534 -10.369 1.00 1.35 C ATOM 1038 CD1 LEU A 70 6.886 -0.264 -11.657 1.00 1.69 C ATOM 1039 CD2 LEU A 70 6.917 -0.397 -9.179 1.00 1.58 C ATOM 0 H LEU A 70 5.242 3.042 -10.541 1.00 1.04 H new ATOM 0 HA LEU A 70 8.111 3.690 -10.949 1.00 1.15 H new ATOM 0 HB2 LEU A 70 8.531 1.496 -10.361 1.00 1.28 H new ATOM 0 HB3 LEU A 70 7.406 2.124 -9.173 1.00 1.28 H new ATOM 0 HG LEU A 70 5.585 0.873 -10.412 1.00 1.35 H new ATOM 0 HD11 LEU A 70 6.230 -1.134 -11.688 1.00 1.69 H new ATOM 0 HD12 LEU A 70 6.691 0.368 -12.523 1.00 1.69 H new ATOM 0 HD13 LEU A 70 7.925 -0.592 -11.674 1.00 1.69 H new ATOM 0 HD21 LEU A 70 6.313 -1.300 -9.264 1.00 1.58 H new ATOM 0 HD22 LEU A 70 7.973 -0.665 -9.182 1.00 1.58 H new ATOM 0 HD23 LEU A 70 6.675 0.115 -8.247 1.00 1.58 H new ATOM 1051 N LYS A 71 8.386 2.571 -13.231 1.00 1.62 N ATOM 1052 CA LYS A 71 8.499 2.320 -14.678 1.00 1.77 C ATOM 1053 C LYS A 71 9.895 1.796 -15.056 1.00 2.62 C ATOM 1054 O LYS A 71 10.880 2.500 -14.845 1.00 3.57 O ATOM 1055 CB LYS A 71 8.163 3.624 -15.438 1.00 2.61 C ATOM 1056 CG LYS A 71 8.071 3.434 -16.959 1.00 3.46 C ATOM 1057 CD LYS A 71 7.652 4.753 -17.626 1.00 4.75 C ATOM 1058 CE LYS A 71 7.527 4.574 -19.145 1.00 5.53 C ATOM 1059 NZ LYS A 71 7.121 5.832 -19.820 1.00 6.69 N ATOM 0 H LYS A 71 9.286 2.590 -12.751 1.00 1.62 H new ATOM 0 HA LYS A 71 7.790 1.542 -14.961 1.00 1.77 H new ATOM 0 HB2 LYS A 71 7.215 4.017 -15.070 1.00 2.61 H new ATOM 0 HB3 LYS A 71 8.925 4.371 -15.218 1.00 2.61 H new ATOM 0 HG2 LYS A 71 9.034 3.107 -17.352 1.00 3.46 H new ATOM 0 HG3 LYS A 71 7.349 2.652 -17.194 1.00 3.46 H new ATOM 0 HD2 LYS A 71 6.700 5.089 -17.214 1.00 4.75 H new ATOM 0 HD3 LYS A 71 8.386 5.528 -17.405 1.00 4.75 H new ATOM 0 HE2 LYS A 71 8.481 4.236 -19.550 1.00 5.53 H new ATOM 0 HE3 LYS A 71 6.796 3.795 -19.360 1.00 5.53 H new ATOM 0 HZ1 LYS A 71 7.048 5.668 -20.844 1.00 6.69 H new ATOM 0 HZ2 LYS A 71 6.199 6.141 -19.452 1.00 6.69 H new ATOM 0 HZ3 LYS A 71 7.832 6.569 -19.637 1.00 6.69 H new ATOM 1073 N GLN A 72 9.985 0.600 -15.641 1.00 2.93 N ATOM 1074 CA GLN A 72 11.240 -0.041 -16.047 1.00 4.19 C ATOM 1075 C GLN A 72 10.937 -1.298 -16.883 1.00 4.74 C ATOM 1076 O GLN A 72 9.780 -1.710 -16.967 1.00 4.98 O ATOM 1077 CB GLN A 72 12.117 -0.373 -14.807 1.00 5.13 C ATOM 1078 CG GLN A 72 13.450 0.400 -14.752 1.00 5.76 C ATOM 1079 CD GLN A 72 14.388 0.039 -15.904 1.00 6.26 C ATOM 1080 OE1 GLN A 72 14.027 0.131 -17.065 1.00 6.22 O ATOM 1081 NE2 GLN A 72 15.592 -0.422 -15.654 1.00 7.39 N ATOM 0 H GLN A 72 9.164 0.033 -15.852 1.00 2.93 H new ATOM 0 HA GLN A 72 11.810 0.651 -16.667 1.00 4.19 H new ATOM 0 HB2 GLN A 72 11.547 -0.156 -13.904 1.00 5.13 H new ATOM 0 HB3 GLN A 72 12.329 -1.442 -14.801 1.00 5.13 H new ATOM 0 HG2 GLN A 72 13.246 1.470 -14.776 1.00 5.76 H new ATOM 0 HG3 GLN A 72 13.947 0.192 -13.805 1.00 5.76 H new ATOM 0 HE21 GLN A 72 15.915 -0.508 -14.690 1.00 7.39 H new ATOM 0 HE22 GLN A 72 16.204 -0.694 -16.423 1.00 7.39 H new ATOM 1090 N GLN A 73 11.963 -1.916 -17.473 1.00 5.58 N ATOM 1091 CA GLN A 73 11.913 -3.220 -18.143 1.00 6.40 C ATOM 1092 C GLN A 73 13.349 -3.735 -18.360 1.00 7.73 C ATOM 1093 O GLN A 73 14.313 -3.011 -18.127 1.00 8.05 O ATOM 1094 CB GLN A 73 11.115 -3.133 -19.472 1.00 5.95 C ATOM 1095 CG GLN A 73 9.878 -4.056 -19.542 1.00 6.29 C ATOM 1096 CD GLN A 73 10.200 -5.537 -19.780 1.00 7.78 C ATOM 1097 OE1 GLN A 73 11.043 -6.129 -19.121 1.00 8.77 O ATOM 1098 NE2 GLN A 73 9.581 -6.190 -20.742 1.00 8.45 N ATOM 0 H GLN A 73 12.895 -1.503 -17.498 1.00 5.58 H new ATOM 0 HA GLN A 73 11.384 -3.934 -17.512 1.00 6.40 H new ATOM 0 HB2 GLN A 73 10.792 -2.103 -19.619 1.00 5.95 H new ATOM 0 HB3 GLN A 73 11.782 -3.379 -20.298 1.00 5.95 H new ATOM 0 HG2 GLN A 73 9.319 -3.964 -18.611 1.00 6.29 H new ATOM 0 HG3 GLN A 73 9.225 -3.707 -20.342 1.00 6.29 H new ATOM 0 HE21 GLN A 73 8.874 -5.718 -21.306 1.00 8.45 H new ATOM 0 HE22 GLN A 73 9.809 -7.168 -20.923 1.00 8.45 H new TER 1107 GLN A 73