USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 781 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 17 GLN : amide:sc= 1.15 K(o=1.5,f=-1.5) USER MOD Set 1.2: A 19 LYS NZ :NH3+ 154:sc= 0.35 (180deg=-0.0677) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 4 GLN : amide:sc= -2.3 K(o=-2.3,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.873) USER MOD Single : A 7 THR OG1 : rot -86:sc= 1.19 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 83:sc= 1.25 USER MOD Single : A 26 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 30 CYS SG : rot -43:sc= -1.18! USER MOD Single : A 33 CYS SG : rot -85:sc= 1.09 USER MOD Single : A 34 LYS NZ :NH3+ -136:sc= 0.14 (180deg=-0.328) USER MOD Single : A 35 MET CE :methyl -161:sc= -0.772 (180deg=-0.987) USER MOD Single : A 39 MET CE :methyl -137:sc= -6.32! (180deg=-10.6!) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 1.03 (180deg=0.494) USER MOD Single : A 44 SER OG : rot -81:sc= 0.262 USER MOD Single : A 46 GLN : amide:sc= -0.593 K(o=-0.59,f=0) USER MOD Single : A 47 TYR OH : rot 120:sc= -4.54! USER MOD Single : A 49 GLN : amide:sc= -0.839 K(o=-0.84,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 1.23 USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.11) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.03) USER MOD Single : A 67 ASN : amide:sc= -7.15! C(o=-7.2!,f=-5.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -138:sc= -2.4! (180deg=-3.34!) USER MOD Single : A 74 THR OG1 : rot 103:sc= 1.19 USER MOD Single : A 79 LYS NZ :NH3+ 144:sc= 1.05 (180deg=0.413) USER MOD Single : A 80 ASN : amide:sc= -3.59! C(o=-3.6!,f=-1.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 2.37 (180deg=2.34) USER MOD Single : A 91 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.12) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0.11 X(o=0.11,f=-0.14) USER MOD Single : A 102 ASN : amide:sc= -1.9! K(o=-1.9!,f=-3.2) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.409 -4.196 9.292 1.00 0.00 N ATOM 21 CA VAL A 2 -2.450 -3.897 8.248 1.00 0.00 C ATOM 22 C VAL A 2 -1.110 -3.480 8.868 1.00 0.00 C ATOM 23 O VAL A 2 -1.044 -2.545 9.663 1.00 0.00 O ATOM 24 CB VAL A 2 -3.005 -2.802 7.312 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.935 -2.303 6.359 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.204 -3.341 6.546 1.00 0.00 C ATOM 0 HA VAL A 2 -2.279 -4.792 7.649 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.324 -1.954 7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.355 -1.533 5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.106 -1.885 6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.575 -3.132 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.593 -2.565 5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.899 -4.203 5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.980 -3.642 7.250 1.00 0.00 H new ATOM 36 N THR A 3 -0.053 -4.186 8.483 1.00 0.00 N ATOM 37 CA THR A 3 1.250 -4.109 9.152 1.00 0.00 C ATOM 38 C THR A 3 1.993 -2.795 8.874 1.00 0.00 C ATOM 39 O THR A 3 1.892 -2.223 7.795 1.00 0.00 O ATOM 40 CB THR A 3 2.125 -5.300 8.724 1.00 0.00 C ATOM 41 OG1 THR A 3 1.316 -6.484 8.629 1.00 0.00 O ATOM 42 CG2 THR A 3 3.253 -5.541 9.716 1.00 0.00 C ATOM 0 H THR A 3 -0.071 -4.833 7.694 1.00 0.00 H new ATOM 0 HA THR A 3 1.057 -4.144 10.224 1.00 0.00 H new ATOM 0 HB THR A 3 2.563 -5.066 7.754 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.875 -7.241 8.355 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.853 -6.389 9.386 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.882 -4.652 9.775 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.834 -5.755 10.699 1.00 0.00 H new ATOM 50 N GLN A 4 2.736 -2.332 9.872 1.00 0.00 N ATOM 51 CA GLN A 4 3.428 -1.046 9.820 1.00 0.00 C ATOM 52 C GLN A 4 4.875 -1.192 9.325 1.00 0.00 C ATOM 53 O GLN A 4 5.572 -2.137 9.695 1.00 0.00 O ATOM 54 CB GLN A 4 3.424 -0.442 11.226 1.00 0.00 C ATOM 55 CG GLN A 4 3.978 0.974 11.308 1.00 0.00 C ATOM 56 CD GLN A 4 3.251 1.952 10.404 1.00 0.00 C ATOM 57 OE1 GLN A 4 3.836 2.924 9.928 1.00 0.00 O ATOM 58 NE2 GLN A 4 1.973 1.713 10.169 1.00 0.00 N ATOM 0 H GLN A 4 2.877 -2.839 10.746 1.00 0.00 H new ATOM 0 HA GLN A 4 2.908 -0.398 9.114 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.402 -0.441 11.604 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.007 -1.085 11.885 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.913 1.324 12.338 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.035 0.960 11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.523 0.896 10.582 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.437 2.345 9.575 1.00 0.00 H new ATOM 67 N PHE A 5 5.307 -0.257 8.480 1.00 0.00 N ATOM 68 CA PHE A 5 6.714 -0.153 8.075 1.00 0.00 C ATOM 69 C PHE A 5 7.384 1.005 8.807 1.00 0.00 C ATOM 70 O PHE A 5 6.715 1.953 9.215 1.00 0.00 O ATOM 71 CB PHE A 5 6.847 0.126 6.576 1.00 0.00 C ATOM 72 CG PHE A 5 6.545 -1.022 5.664 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.822 -2.326 6.033 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.003 -0.783 4.412 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.561 -3.370 5.170 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.744 -1.821 3.545 1.00 0.00 C ATOM 77 CZ PHE A 5 6.024 -3.116 3.924 1.00 0.00 C ATOM 0 H PHE A 5 4.700 0.446 8.058 1.00 0.00 H new ATOM 0 HA PHE A 5 7.186 -1.104 8.319 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.183 0.952 6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.865 0.463 6.378 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.246 -2.529 7.005 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.781 0.230 4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.777 -4.385 5.469 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.323 -1.621 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.823 -3.932 3.246 1.00 0.00 H new ATOM 87 N LYS A 6 8.697 0.937 8.967 1.00 0.00 N ATOM 88 CA LYS A 6 9.446 2.074 9.488 1.00 0.00 C ATOM 89 C LYS A 6 10.705 2.337 8.655 1.00 0.00 C ATOM 90 O LYS A 6 11.432 3.298 8.908 1.00 0.00 O ATOM 91 CB LYS A 6 9.811 1.851 10.959 1.00 0.00 C ATOM 92 CG LYS A 6 10.813 0.735 11.174 1.00 0.00 C ATOM 93 CD LYS A 6 11.079 0.476 12.644 1.00 0.00 C ATOM 94 CE LYS A 6 12.131 -0.607 12.826 1.00 0.00 C ATOM 95 NZ LYS A 6 11.729 -1.888 12.185 1.00 0.00 N ATOM 0 H LYS A 6 9.262 0.117 8.747 1.00 0.00 H new ATOM 0 HA LYS A 6 8.808 2.955 9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.217 2.776 11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.904 1.626 11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.442 -0.178 10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.749 0.989 10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.412 1.396 13.124 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.154 0.176 13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.076 -0.270 12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.301 -0.772 13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.344 -2.655 12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.741 -2.103 12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.821 -1.803 11.153 1.00 0.00 H new ATOM 109 N THR A 7 10.961 1.483 7.662 1.00 0.00 N ATOM 110 CA THR A 7 12.099 1.677 6.761 1.00 0.00 C ATOM 111 C THR A 7 11.750 1.262 5.333 1.00 0.00 C ATOM 112 O THR A 7 10.760 0.561 5.098 1.00 0.00 O ATOM 113 CB THR A 7 13.346 0.884 7.207 1.00 0.00 C ATOM 114 OG1 THR A 7 13.006 -0.488 7.433 1.00 0.00 O ATOM 115 CG2 THR A 7 13.967 1.478 8.462 1.00 0.00 C ATOM 0 H THR A 7 10.400 0.655 7.462 1.00 0.00 H new ATOM 0 HA THR A 7 12.328 2.742 6.797 1.00 0.00 H new ATOM 0 HB THR A 7 14.082 0.947 6.405 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.679 -0.597 8.350 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.842 0.894 8.746 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.266 2.508 8.268 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.239 1.458 9.273 1.00 0.00 H new ATOM 123 N ALA A 8 12.573 1.691 4.381 1.00 0.00 N ATOM 124 CA ALA A 8 12.376 1.332 2.985 1.00 0.00 C ATOM 125 C ALA A 8 12.761 -0.120 2.744 1.00 0.00 C ATOM 126 O ALA A 8 12.211 -0.780 1.862 1.00 0.00 O ATOM 127 CB ALA A 8 13.168 2.248 2.074 1.00 0.00 C ATOM 0 H ALA A 8 13.382 2.288 4.553 1.00 0.00 H new ATOM 0 HA ALA A 8 11.318 1.452 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.004 1.959 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.841 3.278 2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.229 2.167 2.310 1.00 0.00 H new ATOM 133 N SER A 9 13.714 -0.609 3.534 1.00 0.00 N ATOM 134 CA SER A 9 14.079 -2.017 3.507 1.00 0.00 C ATOM 135 C SER A 9 12.844 -2.860 3.792 1.00 0.00 C ATOM 136 O SER A 9 12.552 -3.819 3.080 1.00 0.00 O ATOM 137 CB SER A 9 15.173 -2.307 4.541 1.00 0.00 C ATOM 138 OG SER A 9 15.546 -3.675 4.530 1.00 0.00 O ATOM 0 H SER A 9 14.246 -0.048 4.200 1.00 0.00 H new ATOM 0 HA SER A 9 14.469 -2.269 2.521 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.046 -1.689 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.818 -2.033 5.535 1.00 0.00 H new ATOM 0 HG SER A 9 16.246 -3.829 5.198 1.00 0.00 H new ATOM 144 N GLU A 10 12.119 -2.473 4.835 1.00 0.00 N ATOM 145 CA GLU A 10 10.853 -3.087 5.180 1.00 0.00 C ATOM 146 C GLU A 10 9.880 -3.101 4.008 1.00 0.00 C ATOM 147 O GLU A 10 9.247 -4.125 3.746 1.00 0.00 O ATOM 148 CB GLU A 10 10.267 -2.351 6.369 1.00 0.00 C ATOM 149 CG GLU A 10 10.880 -2.820 7.660 1.00 0.00 C ATOM 150 CD GLU A 10 10.586 -1.919 8.825 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.403 -1.668 9.103 1.00 0.00 O ATOM 152 OE2 GLU A 10 11.549 -1.439 9.455 1.00 0.00 O ATOM 0 H GLU A 10 12.398 -1.721 5.465 1.00 0.00 H new ATOM 0 HA GLU A 10 11.029 -4.131 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.433 -1.280 6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.188 -2.505 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.514 -3.822 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.960 -2.897 7.534 1.00 0.00 H new ATOM 159 N PHE A 11 9.769 -1.976 3.298 1.00 0.00 N ATOM 160 CA PHE A 11 8.888 -1.907 2.135 1.00 0.00 C ATOM 161 C PHE A 11 9.305 -2.953 1.109 1.00 0.00 C ATOM 162 O PHE A 11 8.527 -3.834 0.751 1.00 0.00 O ATOM 163 CB PHE A 11 8.914 -0.503 1.508 1.00 0.00 C ATOM 164 CG PHE A 11 7.887 -0.282 0.416 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.042 -0.854 -0.839 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.777 0.520 0.642 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.110 -0.634 -1.838 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.842 0.739 -0.360 1.00 0.00 C ATOM 169 CZ PHE A 11 6.012 0.163 -1.597 1.00 0.00 C ATOM 0 H PHE A 11 10.271 -1.113 3.505 1.00 0.00 H new ATOM 0 HA PHE A 11 7.868 -2.111 2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.754 0.235 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.907 -0.321 1.097 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.900 -1.478 -1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.639 0.979 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.243 -1.088 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.981 1.362 -0.168 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.286 0.335 -2.378 1.00 0.00 H new ATOM 179 N ASP A 12 10.556 -2.869 0.688 1.00 0.00 N ATOM 180 CA ASP A 12 11.092 -3.724 -0.370 1.00 0.00 C ATOM 181 C ASP A 12 11.069 -5.200 0.028 1.00 0.00 C ATOM 182 O ASP A 12 10.844 -6.069 -0.811 1.00 0.00 O ATOM 183 CB ASP A 12 12.518 -3.291 -0.705 1.00 0.00 C ATOM 184 CG ASP A 12 13.057 -3.960 -1.952 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.815 -3.432 -3.058 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.736 -5.001 -1.831 1.00 0.00 O ATOM 0 H ASP A 12 11.233 -2.207 1.067 1.00 0.00 H new ATOM 0 HA ASP A 12 10.457 -3.612 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.542 -2.210 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.170 -3.523 0.137 1.00 0.00 H new ATOM 191 N SER A 13 11.291 -5.481 1.309 1.00 0.00 N ATOM 192 CA SER A 13 11.249 -6.853 1.808 1.00 0.00 C ATOM 193 C SER A 13 9.857 -7.451 1.624 1.00 0.00 C ATOM 194 O SER A 13 9.715 -8.615 1.243 1.00 0.00 O ATOM 195 CB SER A 13 11.652 -6.907 3.284 1.00 0.00 C ATOM 196 OG SER A 13 12.974 -6.424 3.472 1.00 0.00 O ATOM 0 H SER A 13 11.501 -4.779 2.019 1.00 0.00 H new ATOM 0 HA SER A 13 11.962 -7.442 1.231 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.957 -6.312 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.582 -7.933 3.646 1.00 0.00 H new ATOM 0 HG SER A 13 12.960 -5.446 3.530 1.00 0.00 H new ATOM 202 N ALA A 14 8.833 -6.639 1.879 1.00 0.00 N ATOM 203 CA ALA A 14 7.456 -7.058 1.684 1.00 0.00 C ATOM 204 C ALA A 14 7.151 -7.209 0.202 1.00 0.00 C ATOM 205 O ALA A 14 6.209 -7.889 -0.185 1.00 0.00 O ATOM 206 CB ALA A 14 6.492 -6.065 2.320 1.00 0.00 C ATOM 0 H ALA A 14 8.937 -5.684 2.222 1.00 0.00 H new ATOM 0 HA ALA A 14 7.324 -8.025 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.467 -6.400 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.690 -5.999 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.628 -5.084 1.865 1.00 0.00 H new ATOM 212 N ILE A 15 7.957 -6.561 -0.618 1.00 0.00 N ATOM 213 CA ILE A 15 7.788 -6.606 -2.060 1.00 0.00 C ATOM 214 C ILE A 15 8.420 -7.861 -2.654 1.00 0.00 C ATOM 215 O ILE A 15 7.884 -8.459 -3.587 1.00 0.00 O ATOM 216 CB ILE A 15 8.435 -5.381 -2.729 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.912 -4.078 -2.143 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.203 -5.388 -4.220 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.416 -4.055 -1.920 1.00 0.00 C ATOM 0 H ILE A 15 8.744 -5.991 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 15 6.715 -6.611 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 15 9.505 -5.446 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.413 -3.893 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.181 -3.259 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.672 -4.510 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.637 -6.290 -4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.132 -5.369 -4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.125 -3.092 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.904 -4.206 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.139 -4.850 -1.228 1.00 0.00 H new ATOM 231 N ALA A 16 9.549 -8.266 -2.085 1.00 0.00 N ATOM 232 CA ALA A 16 10.401 -9.293 -2.682 1.00 0.00 C ATOM 233 C ALA A 16 9.878 -10.713 -2.466 1.00 0.00 C ATOM 234 O ALA A 16 10.595 -11.689 -2.694 1.00 0.00 O ATOM 235 CB ALA A 16 11.812 -9.165 -2.137 1.00 0.00 C ATOM 0 H ALA A 16 9.900 -7.896 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 16 10.396 -9.125 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.445 -9.932 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.208 -8.179 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.797 -9.292 -1.055 1.00 0.00 H new ATOM 241 N GLN A 17 8.641 -10.828 -2.027 1.00 0.00 N ATOM 242 CA GLN A 17 7.999 -12.111 -1.877 1.00 0.00 C ATOM 243 C GLN A 17 7.061 -12.373 -3.048 1.00 0.00 C ATOM 244 O GLN A 17 6.475 -11.443 -3.609 1.00 0.00 O ATOM 245 CB GLN A 17 7.230 -12.140 -0.567 1.00 0.00 C ATOM 246 CG GLN A 17 6.668 -10.803 -0.164 1.00 0.00 C ATOM 247 CD GLN A 17 5.824 -10.881 1.083 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.005 -11.755 1.930 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.916 -9.946 1.208 1.00 0.00 N ATOM 0 H GLN A 17 8.056 -10.034 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 17 8.758 -12.894 -1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.413 -12.857 -0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.889 -12.500 0.223 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.487 -10.103 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.067 -10.405 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.804 -9.243 0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.320 -9.921 2.036 1.00 0.00 H new ATOM 258 N ASP A 18 6.920 -13.636 -3.413 1.00 0.00 N ATOM 259 CA ASP A 18 6.086 -14.017 -4.545 1.00 0.00 C ATOM 260 C ASP A 18 4.618 -14.110 -4.129 1.00 0.00 C ATOM 261 O ASP A 18 4.022 -15.187 -4.101 1.00 0.00 O ATOM 262 CB ASP A 18 6.565 -15.341 -5.144 1.00 0.00 C ATOM 263 CG ASP A 18 5.837 -15.694 -6.425 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.981 -14.952 -7.418 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.108 -16.711 -6.445 1.00 0.00 O ATOM 0 H ASP A 18 7.373 -14.419 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 18 6.173 -13.245 -5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.635 -15.280 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.421 -16.139 -4.416 1.00 0.00 H new ATOM 270 N LYS A 19 4.056 -12.966 -3.778 1.00 0.00 N ATOM 271 CA LYS A 19 2.648 -12.856 -3.432 1.00 0.00 C ATOM 272 C LYS A 19 2.190 -11.433 -3.710 1.00 0.00 C ATOM 273 O LYS A 19 3.006 -10.584 -4.070 1.00 0.00 O ATOM 274 CB LYS A 19 2.411 -13.218 -1.960 1.00 0.00 C ATOM 275 CG LYS A 19 3.179 -12.352 -0.973 1.00 0.00 C ATOM 276 CD LYS A 19 2.706 -12.577 0.457 1.00 0.00 C ATOM 277 CE LYS A 19 2.968 -13.998 0.937 1.00 0.00 C ATOM 278 NZ LYS A 19 4.420 -14.295 1.052 1.00 0.00 N ATOM 0 H LYS A 19 4.565 -12.084 -3.725 1.00 0.00 H new ATOM 0 HA LYS A 19 2.072 -13.557 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.346 -13.137 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.689 -14.260 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.244 -12.575 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.055 -11.302 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.211 -11.874 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.639 -12.365 0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.491 -14.146 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.509 -14.704 0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.566 -15.044 1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.783 -14.612 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.928 -13.437 1.347 1.00 0.00 H new ATOM 292 N LEU A 20 0.902 -11.167 -3.559 1.00 0.00 N ATOM 293 CA LEU A 20 0.380 -9.843 -3.850 1.00 0.00 C ATOM 294 C LEU A 20 0.538 -8.946 -2.631 1.00 0.00 C ATOM 295 O LEU A 20 -0.035 -9.205 -1.569 1.00 0.00 O ATOM 296 CB LEU A 20 -1.090 -9.923 -4.296 1.00 0.00 C ATOM 297 CG LEU A 20 -1.663 -8.664 -4.969 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.895 -7.549 -3.968 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.737 -8.187 -6.071 1.00 0.00 C ATOM 0 H LEU A 20 0.207 -11.842 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 20 0.949 -9.411 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.194 -10.759 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.701 -10.154 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.627 -8.933 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.300 -6.677 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.602 -7.883 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.950 -7.284 -3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.156 -7.296 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.240 -7.951 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.628 -8.972 -6.820 1.00 0.00 H new ATOM 311 N VAL A 21 1.325 -7.900 -2.797 1.00 0.00 N ATOM 312 CA VAL A 21 1.576 -6.955 -1.724 1.00 0.00 C ATOM 313 C VAL A 21 0.751 -5.697 -1.933 1.00 0.00 C ATOM 314 O VAL A 21 0.771 -5.116 -3.015 1.00 0.00 O ATOM 315 CB VAL A 21 3.058 -6.547 -1.665 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.462 -6.195 -0.241 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.949 -7.635 -2.247 1.00 0.00 C ATOM 0 H VAL A 21 1.805 -7.682 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 21 1.301 -7.447 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 21 3.192 -5.656 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.514 -5.909 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.853 -5.364 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.309 -7.060 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.991 -7.320 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.818 -8.556 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.677 -7.810 -3.288 1.00 0.00 H new ATOM 327 N VAL A 22 0.017 -5.289 -0.911 1.00 0.00 N ATOM 328 CA VAL A 22 -0.706 -4.030 -0.954 1.00 0.00 C ATOM 329 C VAL A 22 -0.148 -3.099 0.096 1.00 0.00 C ATOM 330 O VAL A 22 -0.334 -3.319 1.296 1.00 0.00 O ATOM 331 CB VAL A 22 -2.212 -4.206 -0.701 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.952 -2.900 -0.960 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.774 -5.323 -1.553 1.00 0.00 C ATOM 0 H VAL A 22 -0.094 -5.811 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.579 -3.619 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.355 -4.478 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.017 -3.043 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.569 -2.127 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.800 -2.595 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.841 -5.429 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.620 -5.090 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.266 -6.256 -1.310 1.00 0.00 H new ATOM 343 N VAL A 23 0.553 -2.075 -0.340 1.00 0.00 N ATOM 344 CA VAL A 23 1.162 -1.161 0.594 1.00 0.00 C ATOM 345 C VAL A 23 0.413 0.157 0.627 1.00 0.00 C ATOM 346 O VAL A 23 0.137 0.771 -0.405 1.00 0.00 O ATOM 347 CB VAL A 23 2.645 -0.914 0.296 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.285 -0.166 1.451 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.363 -2.229 0.055 1.00 0.00 C ATOM 0 H VAL A 23 0.713 -1.858 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 23 1.101 -1.634 1.574 1.00 0.00 H new ATOM 0 HB VAL A 23 2.727 -0.308 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.339 0.007 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.781 0.791 1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.195 -0.758 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.415 -2.036 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.279 -2.857 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.911 -2.740 -0.795 1.00 0.00 H new ATOM 359 N ALA A 24 0.094 0.563 1.833 1.00 0.00 N ATOM 360 CA ALA A 24 -0.697 1.749 2.090 1.00 0.00 C ATOM 361 C ALA A 24 0.190 2.931 2.448 1.00 0.00 C ATOM 362 O ALA A 24 0.646 3.042 3.587 1.00 0.00 O ATOM 363 CB ALA A 24 -1.637 1.476 3.248 1.00 0.00 C ATOM 0 H ALA A 24 0.381 0.072 2.680 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.257 1.992 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.236 2.364 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.295 0.644 2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.057 1.223 4.135 1.00 0.00 H new ATOM 369 N PHE A 25 0.445 3.808 1.501 1.00 0.00 N ATOM 370 CA PHE A 25 1.276 4.967 1.782 1.00 0.00 C ATOM 371 C PHE A 25 0.458 6.240 1.882 1.00 0.00 C ATOM 372 O PHE A 25 -0.056 6.751 0.892 1.00 0.00 O ATOM 373 CB PHE A 25 2.386 5.103 0.746 1.00 0.00 C ATOM 374 CG PHE A 25 3.677 4.541 1.249 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.715 3.270 1.787 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.838 5.288 1.216 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.888 2.747 2.278 1.00 0.00 C ATOM 378 CE2 PHE A 25 6.017 4.771 1.707 1.00 0.00 C ATOM 379 CZ PHE A 25 6.041 3.497 2.238 1.00 0.00 C ATOM 0 H PHE A 25 0.097 3.747 0.544 1.00 0.00 H new ATOM 0 HA PHE A 25 1.738 4.808 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.096 4.588 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.520 6.154 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.812 2.679 1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.822 6.285 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.904 1.750 2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.921 5.361 1.676 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.964 3.089 2.622 1.00 0.00 H new ATOM 389 N TYR A 26 0.341 6.744 3.098 1.00 0.00 N ATOM 390 CA TYR A 26 -0.376 7.979 3.350 1.00 0.00 C ATOM 391 C TYR A 26 0.470 8.888 4.227 1.00 0.00 C ATOM 392 O TYR A 26 1.620 8.582 4.507 1.00 0.00 O ATOM 393 CB TYR A 26 -1.737 7.695 3.999 1.00 0.00 C ATOM 394 CG TYR A 26 -1.692 6.835 5.248 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.571 7.404 6.509 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.803 5.453 5.162 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.556 6.621 7.647 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.796 4.662 6.293 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.671 5.252 7.535 1.00 0.00 C ATOM 400 OH TYR A 26 -1.680 4.474 8.668 1.00 0.00 O ATOM 0 H TYR A 26 0.738 6.311 3.932 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.564 8.483 2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.207 8.646 4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.377 7.206 3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.487 8.477 6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.897 4.989 4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.455 7.079 8.620 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.888 3.589 6.207 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.067 4.982 9.411 1.00 0.00 H new ATOM 410 N ALA A 27 -0.085 10.010 4.642 1.00 0.00 N ATOM 411 CA ALA A 27 0.657 10.957 5.455 1.00 0.00 C ATOM 412 C ALA A 27 -0.139 11.328 6.696 1.00 0.00 C ATOM 413 O ALA A 27 -1.350 11.510 6.636 1.00 0.00 O ATOM 414 CB ALA A 27 0.982 12.193 4.636 1.00 0.00 C ATOM 0 H ALA A 27 -1.043 10.289 4.431 1.00 0.00 H new ATOM 0 HA ALA A 27 1.590 10.495 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.539 12.901 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.584 11.910 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.057 12.658 4.296 1.00 0.00 H new ATOM 420 N THR A 28 0.549 11.441 7.821 1.00 0.00 N ATOM 421 CA THR A 28 -0.097 11.754 9.085 1.00 0.00 C ATOM 422 C THR A 28 -0.580 13.201 9.129 1.00 0.00 C ATOM 423 O THR A 28 -1.454 13.546 9.922 1.00 0.00 O ATOM 424 CB THR A 28 0.861 11.486 10.255 1.00 0.00 C ATOM 425 OG1 THR A 28 2.200 11.806 9.855 1.00 0.00 O ATOM 426 CG2 THR A 28 0.786 10.034 10.696 1.00 0.00 C ATOM 0 H THR A 28 1.560 11.320 7.884 1.00 0.00 H new ATOM 0 HA THR A 28 -0.969 11.106 9.176 1.00 0.00 H new ATOM 0 HB THR A 28 0.568 12.112 11.098 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.813 11.637 10.601 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.474 9.870 11.526 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.230 9.803 11.016 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.061 9.386 9.863 1.00 0.00 H new ATOM 434 N TRP A 29 -0.011 14.042 8.271 1.00 0.00 N ATOM 435 CA TRP A 29 -0.412 15.441 8.206 1.00 0.00 C ATOM 436 C TRP A 29 -1.571 15.643 7.231 1.00 0.00 C ATOM 437 O TRP A 29 -2.230 16.683 7.250 1.00 0.00 O ATOM 438 CB TRP A 29 0.775 16.336 7.813 1.00 0.00 C ATOM 439 CG TRP A 29 1.447 15.963 6.518 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.630 15.299 6.375 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.987 16.245 5.188 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.931 15.146 5.044 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.938 15.718 4.295 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.139 16.888 4.666 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.797 15.816 2.913 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.279 16.985 3.298 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.683 16.449 2.434 1.00 0.00 C ATOM 0 H TRP A 29 0.725 13.780 7.615 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.750 15.729 9.201 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.427 17.366 7.741 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.515 16.305 8.612 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.242 14.945 7.191 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.760 14.681 4.673 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.888 17.303 5.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.540 15.407 2.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.145 17.482 2.886 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.543 16.537 1.367 1.00 0.00 H new ATOM 458 N CYS A 30 -1.818 14.653 6.378 1.00 0.00 N ATOM 459 CA CYS A 30 -2.858 14.779 5.365 1.00 0.00 C ATOM 460 C CYS A 30 -4.179 14.254 5.911 1.00 0.00 C ATOM 461 O CYS A 30 -4.201 13.365 6.763 1.00 0.00 O ATOM 462 CB CYS A 30 -2.472 14.025 4.084 1.00 0.00 C ATOM 463 SG CYS A 30 -2.563 12.224 4.206 1.00 0.00 S ATOM 0 H CYS A 30 -1.318 13.764 6.368 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.970 15.834 5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.125 14.354 3.275 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.456 14.305 3.807 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.050 11.839 5.337 1.00 0.00 H new ATOM 469 N GLY A 31 -5.272 14.818 5.422 1.00 0.00 N ATOM 470 CA GLY A 31 -6.595 14.434 5.881 1.00 0.00 C ATOM 471 C GLY A 31 -7.101 13.111 5.307 1.00 0.00 C ATOM 472 O GLY A 31 -7.615 12.280 6.057 1.00 0.00 O ATOM 0 H GLY A 31 -5.268 15.544 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.583 14.364 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.300 15.223 5.620 1.00 0.00 H new ATOM 476 N PRO A 32 -6.991 12.875 3.978 1.00 0.00 N ATOM 477 CA PRO A 32 -7.523 11.655 3.341 1.00 0.00 C ATOM 478 C PRO A 32 -6.804 10.365 3.750 1.00 0.00 C ATOM 479 O PRO A 32 -7.105 9.292 3.226 1.00 0.00 O ATOM 480 CB PRO A 32 -7.324 11.917 1.846 1.00 0.00 C ATOM 481 CG PRO A 32 -6.215 12.905 1.780 1.00 0.00 C ATOM 482 CD PRO A 32 -6.385 13.781 2.982 1.00 0.00 C ATOM 0 HA PRO A 32 -8.557 11.487 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.070 11.000 1.314 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.232 12.310 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.245 12.407 1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.263 13.488 0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.431 14.179 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.029 14.635 2.770 1.00 0.00 H new ATOM 490 N CYS A 33 -5.870 10.458 4.691 1.00 0.00 N ATOM 491 CA CYS A 33 -5.158 9.281 5.180 1.00 0.00 C ATOM 492 C CYS A 33 -6.132 8.302 5.828 1.00 0.00 C ATOM 493 O CYS A 33 -5.983 7.078 5.723 1.00 0.00 O ATOM 494 CB CYS A 33 -4.088 9.693 6.190 1.00 0.00 C ATOM 495 SG CYS A 33 -4.723 10.632 7.600 1.00 0.00 S ATOM 0 H CYS A 33 -5.588 11.334 5.130 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.678 8.791 4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.589 8.797 6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.333 10.291 5.679 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.798 11.891 7.285 1.00 0.00 H new ATOM 501 N LYS A 34 -7.154 8.859 6.464 1.00 0.00 N ATOM 502 CA LYS A 34 -8.154 8.067 7.158 1.00 0.00 C ATOM 503 C LYS A 34 -9.007 7.267 6.180 1.00 0.00 C ATOM 504 O LYS A 34 -9.797 6.426 6.598 1.00 0.00 O ATOM 505 CB LYS A 34 -9.045 8.966 8.019 1.00 0.00 C ATOM 506 CG LYS A 34 -9.849 9.978 7.218 1.00 0.00 C ATOM 507 CD LYS A 34 -10.668 10.882 8.122 1.00 0.00 C ATOM 508 CE LYS A 34 -11.464 11.899 7.320 1.00 0.00 C ATOM 509 NZ LYS A 34 -10.587 12.727 6.449 1.00 0.00 N ATOM 0 H LYS A 34 -7.311 9.866 6.512 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.629 7.363 7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.731 8.341 8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.422 9.498 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.174 10.583 6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.512 9.454 6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.348 10.278 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.006 11.401 8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.201 11.381 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.016 12.547 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.875 13.724 6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.599 12.631 6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.673 12.405 5.464 1.00 0.00 H new ATOM 523 N MET A 35 -8.860 7.522 4.880 1.00 0.00 N ATOM 524 CA MET A 35 -9.606 6.767 3.888 1.00 0.00 C ATOM 525 C MET A 35 -8.921 5.425 3.671 1.00 0.00 C ATOM 526 O MET A 35 -9.571 4.402 3.441 1.00 0.00 O ATOM 527 CB MET A 35 -9.691 7.538 2.571 1.00 0.00 C ATOM 528 CG MET A 35 -10.612 6.899 1.545 1.00 0.00 C ATOM 529 SD MET A 35 -12.341 6.839 2.053 1.00 0.00 S ATOM 530 CE MET A 35 -13.045 5.914 0.684 1.00 0.00 C ATOM 0 H MET A 35 -8.239 8.236 4.498 1.00 0.00 H new ATOM 0 HA MET A 35 -10.622 6.607 4.248 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.037 8.551 2.775 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.691 7.623 2.145 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.537 7.453 0.609 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.267 5.885 1.343 1.00 0.00 H new ATOM 0 HE1 MET A 35 -14.123 6.071 0.655 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.604 6.257 -0.252 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.836 4.852 0.816 1.00 0.00 H new ATOM 540 N ILE A 36 -7.598 5.437 3.786 1.00 0.00 N ATOM 541 CA ILE A 36 -6.804 4.238 3.573 1.00 0.00 C ATOM 542 C ILE A 36 -6.827 3.347 4.795 1.00 0.00 C ATOM 543 O ILE A 36 -6.715 2.127 4.679 1.00 0.00 O ATOM 544 CB ILE A 36 -5.349 4.606 3.194 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.199 4.585 1.681 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.330 3.690 3.853 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.223 5.445 0.991 1.00 0.00 C ATOM 0 H ILE A 36 -7.054 6.266 4.026 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.246 3.685 2.744 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.148 5.610 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.200 4.929 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.290 3.559 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.325 3.990 3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.424 3.761 4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.509 2.661 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.073 5.395 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.223 5.086 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.116 6.477 1.325 1.00 0.00 H new ATOM 559 N ALA A 37 -7.032 3.954 5.955 1.00 0.00 N ATOM 560 CA ALA A 37 -7.144 3.193 7.188 1.00 0.00 C ATOM 561 C ALA A 37 -8.186 2.068 7.057 1.00 0.00 C ATOM 562 O ALA A 37 -7.826 0.895 7.139 1.00 0.00 O ATOM 563 CB ALA A 37 -7.441 4.112 8.368 1.00 0.00 C ATOM 0 H ALA A 37 -7.123 4.964 6.067 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.183 2.715 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.520 3.520 9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.635 4.838 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.380 4.637 8.193 1.00 0.00 H new ATOM 569 N PRO A 38 -9.484 2.368 6.812 1.00 0.00 N ATOM 570 CA PRO A 38 -10.490 1.318 6.740 1.00 0.00 C ATOM 571 C PRO A 38 -10.523 0.591 5.399 1.00 0.00 C ATOM 572 O PRO A 38 -10.637 -0.621 5.379 1.00 0.00 O ATOM 573 CB PRO A 38 -11.794 2.069 6.975 1.00 0.00 C ATOM 574 CG PRO A 38 -11.546 3.416 6.398 1.00 0.00 C ATOM 575 CD PRO A 38 -10.079 3.695 6.601 1.00 0.00 C ATOM 0 HA PRO A 38 -10.290 0.528 7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.633 1.574 6.486 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.034 2.128 8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.804 3.440 5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.158 4.170 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.645 4.193 5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.913 4.347 7.459 1.00 0.00 H new ATOM 583 N MET A 39 -10.394 1.311 4.282 1.00 0.00 N ATOM 584 CA MET A 39 -10.572 0.693 2.968 1.00 0.00 C ATOM 585 C MET A 39 -9.529 -0.396 2.752 1.00 0.00 C ATOM 586 O MET A 39 -9.817 -1.453 2.188 1.00 0.00 O ATOM 587 CB MET A 39 -10.507 1.780 1.880 1.00 0.00 C ATOM 588 CG MET A 39 -10.398 1.274 0.448 1.00 0.00 C ATOM 589 SD MET A 39 -8.714 0.811 -0.007 1.00 0.00 S ATOM 590 CE MET A 39 -7.782 2.137 0.757 1.00 0.00 C ATOM 0 H MET A 39 -10.171 2.306 4.260 1.00 0.00 H new ATOM 0 HA MET A 39 -11.550 0.216 2.911 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.399 2.402 1.959 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.651 2.423 2.085 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.053 0.412 0.322 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.754 2.047 -0.233 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.009 2.481 0.070 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.452 2.964 0.993 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.317 1.774 1.674 1.00 0.00 H new ATOM 600 N ILE A 40 -8.339 -0.151 3.257 1.00 0.00 N ATOM 601 CA ILE A 40 -7.247 -1.087 3.111 1.00 0.00 C ATOM 602 C ILE A 40 -7.324 -2.194 4.155 1.00 0.00 C ATOM 603 O ILE A 40 -7.014 -3.349 3.871 1.00 0.00 O ATOM 604 CB ILE A 40 -5.907 -0.336 3.153 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.417 -0.108 1.727 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.859 -1.056 3.986 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.276 0.866 1.634 1.00 0.00 C ATOM 0 H ILE A 40 -8.103 0.695 3.776 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.326 -1.576 2.140 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.071 0.624 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.106 -1.062 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.246 0.256 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.933 -0.482 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.217 -1.159 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.675 -2.044 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.979 0.980 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.589 1.832 2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.431 0.493 2.213 1.00 0.00 H new ATOM 619 N GLU A 41 -7.769 -1.868 5.355 1.00 0.00 N ATOM 620 CA GLU A 41 -8.036 -2.911 6.331 1.00 0.00 C ATOM 621 C GLU A 41 -9.182 -3.808 5.847 1.00 0.00 C ATOM 622 O GLU A 41 -9.293 -4.970 6.244 1.00 0.00 O ATOM 623 CB GLU A 41 -8.369 -2.319 7.701 1.00 0.00 C ATOM 624 CG GLU A 41 -7.148 -1.846 8.476 1.00 0.00 C ATOM 625 CD GLU A 41 -7.499 -1.351 9.863 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.943 -2.168 10.698 1.00 0.00 O ATOM 627 OE2 GLU A 41 -7.331 -0.145 10.135 1.00 0.00 O ATOM 0 H GLU A 41 -7.950 -0.916 5.673 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.133 -3.512 6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.052 -1.480 7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.896 -3.068 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.433 -2.664 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.657 -1.046 7.922 1.00 0.00 H new ATOM 634 N LYS A 42 -10.020 -3.264 4.967 1.00 0.00 N ATOM 635 CA LYS A 42 -11.186 -3.978 4.474 1.00 0.00 C ATOM 636 C LYS A 42 -10.869 -4.880 3.280 1.00 0.00 C ATOM 637 O LYS A 42 -11.574 -5.868 3.062 1.00 0.00 O ATOM 638 CB LYS A 42 -12.328 -3.013 4.143 1.00 0.00 C ATOM 639 CG LYS A 42 -12.932 -2.365 5.381 1.00 0.00 C ATOM 640 CD LYS A 42 -14.130 -1.492 5.048 1.00 0.00 C ATOM 641 CE LYS A 42 -15.411 -2.306 4.949 1.00 0.00 C ATOM 642 NZ LYS A 42 -15.772 -2.939 6.247 1.00 0.00 N ATOM 0 H LYS A 42 -9.908 -2.326 4.582 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.511 -4.632 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.958 -2.235 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.107 -3.551 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.235 -3.141 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.173 -1.762 5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.245 -0.725 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.953 -0.976 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.226 -1.661 4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.292 -3.079 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.764 -3.250 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.157 -3.760 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.648 -2.250 7.016 1.00 0.00 H new ATOM 656 N PHE A 43 -9.830 -4.570 2.499 1.00 0.00 N ATOM 657 CA PHE A 43 -9.442 -5.500 1.432 1.00 0.00 C ATOM 658 C PHE A 43 -9.058 -6.848 2.060 1.00 0.00 C ATOM 659 O PHE A 43 -9.474 -7.899 1.580 1.00 0.00 O ATOM 660 CB PHE A 43 -8.325 -4.948 0.491 1.00 0.00 C ATOM 661 CG PHE A 43 -6.893 -5.023 0.982 1.00 0.00 C ATOM 662 CD1 PHE A 43 -6.253 -6.243 1.166 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.175 -3.866 1.225 1.00 0.00 C ATOM 664 CE1 PHE A 43 -4.942 -6.303 1.593 1.00 0.00 C ATOM 665 CE2 PHE A 43 -4.862 -3.920 1.655 1.00 0.00 C ATOM 666 CZ PHE A 43 -4.247 -5.140 1.840 1.00 0.00 C ATOM 0 H PHE A 43 -9.265 -3.724 2.576 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.303 -5.635 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.385 -5.488 -0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.552 -3.904 0.276 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.791 -7.159 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.647 -2.906 1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.462 -7.260 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.318 -3.007 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.222 -5.184 2.178 1.00 0.00 H new ATOM 676 N SER A 44 -8.320 -6.820 3.175 1.00 0.00 N ATOM 677 CA SER A 44 -7.927 -8.059 3.840 1.00 0.00 C ATOM 678 C SER A 44 -9.036 -8.563 4.756 1.00 0.00 C ATOM 679 O SER A 44 -9.011 -9.711 5.197 1.00 0.00 O ATOM 680 CB SER A 44 -6.630 -7.874 4.619 1.00 0.00 C ATOM 681 OG SER A 44 -6.307 -6.499 4.761 1.00 0.00 O ATOM 0 H SER A 44 -7.989 -5.967 3.627 1.00 0.00 H new ATOM 0 HA SER A 44 -7.756 -8.810 3.069 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.726 -8.331 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.818 -8.390 4.106 1.00 0.00 H new ATOM 0 HG SER A 44 -5.877 -6.177 3.941 1.00 0.00 H new ATOM 687 N GLU A 45 -9.997 -7.692 5.056 1.00 0.00 N ATOM 688 CA GLU A 45 -11.220 -8.108 5.732 1.00 0.00 C ATOM 689 C GLU A 45 -11.892 -9.204 4.915 1.00 0.00 C ATOM 690 O GLU A 45 -12.420 -10.176 5.461 1.00 0.00 O ATOM 691 CB GLU A 45 -12.167 -6.916 5.894 1.00 0.00 C ATOM 692 CG GLU A 45 -13.519 -7.265 6.494 1.00 0.00 C ATOM 693 CD GLU A 45 -14.531 -6.152 6.314 1.00 0.00 C ATOM 694 OE1 GLU A 45 -14.580 -5.234 7.157 1.00 0.00 O ATOM 695 OE2 GLU A 45 -15.281 -6.182 5.318 1.00 0.00 O ATOM 0 H GLU A 45 -9.951 -6.696 4.841 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.975 -8.490 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.686 -6.168 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.324 -6.457 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.897 -8.176 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.399 -7.476 7.557 1.00 0.00 H new ATOM 702 N GLN A 46 -11.852 -9.043 3.596 1.00 0.00 N ATOM 703 CA GLN A 46 -12.381 -10.045 2.695 1.00 0.00 C ATOM 704 C GLN A 46 -11.335 -11.122 2.446 1.00 0.00 C ATOM 705 O GLN A 46 -11.602 -12.315 2.592 1.00 0.00 O ATOM 706 CB GLN A 46 -12.786 -9.417 1.359 1.00 0.00 C ATOM 707 CG GLN A 46 -13.795 -8.287 1.480 1.00 0.00 C ATOM 708 CD GLN A 46 -14.221 -7.737 0.129 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.343 -7.259 -0.031 1.00 0.00 O ATOM 710 NE2 GLN A 46 -13.334 -7.802 -0.852 1.00 0.00 N ATOM 0 H GLN A 46 -11.457 -8.225 3.133 1.00 0.00 H new ATOM 0 HA GLN A 46 -13.263 -10.487 3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.892 -9.039 0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.203 -10.193 0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.674 -8.645 2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.364 -7.483 2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.413 -8.206 -0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.572 -7.448 -1.779 1.00 0.00 H new ATOM 719 N TYR A 47 -10.132 -10.685 2.095 1.00 0.00 N ATOM 720 CA TYR A 47 -9.071 -11.592 1.701 1.00 0.00 C ATOM 721 C TYR A 47 -7.736 -11.250 2.372 1.00 0.00 C ATOM 722 O TYR A 47 -6.939 -10.474 1.855 1.00 0.00 O ATOM 723 CB TYR A 47 -8.937 -11.594 0.174 1.00 0.00 C ATOM 724 CG TYR A 47 -8.958 -10.220 -0.460 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.822 -9.420 -0.504 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.128 -9.722 -1.009 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.858 -8.166 -1.075 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.171 -8.469 -1.578 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.033 -7.699 -1.609 1.00 0.00 C ATOM 730 OH TYR A 47 -9.073 -6.445 -2.154 1.00 0.00 O ATOM 0 H TYR A 47 -9.869 -9.700 2.077 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.339 -12.593 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.005 -12.090 -0.096 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.748 -12.188 -0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.897 -9.787 -0.084 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.022 -10.327 -0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.968 -7.555 -1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.093 -8.094 -1.997 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.323 -6.507 -3.100 1.00 0.00 H new ATOM 740 N PRO A 48 -7.455 -11.837 3.538 1.00 0.00 N ATOM 741 CA PRO A 48 -6.179 -11.628 4.220 1.00 0.00 C ATOM 742 C PRO A 48 -5.052 -12.402 3.534 1.00 0.00 C ATOM 743 O PRO A 48 -3.903 -12.381 3.971 1.00 0.00 O ATOM 744 CB PRO A 48 -6.444 -12.144 5.627 1.00 0.00 C ATOM 745 CG PRO A 48 -7.479 -13.200 5.446 1.00 0.00 C ATOM 746 CD PRO A 48 -8.340 -12.751 4.290 1.00 0.00 C ATOM 0 HA PRO A 48 -5.852 -10.588 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.538 -12.549 6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.799 -11.348 6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.018 -14.165 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.074 -13.321 6.351 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.661 -13.593 3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.242 -12.245 4.634 1.00 0.00 H new ATOM 754 N GLN A 49 -5.416 -13.098 2.456 1.00 0.00 N ATOM 755 CA GLN A 49 -4.469 -13.844 1.627 1.00 0.00 C ATOM 756 C GLN A 49 -3.484 -12.917 0.918 1.00 0.00 C ATOM 757 O GLN A 49 -2.515 -13.372 0.310 1.00 0.00 O ATOM 758 CB GLN A 49 -5.228 -14.675 0.598 1.00 0.00 C ATOM 759 CG GLN A 49 -6.226 -13.851 -0.152 1.00 0.00 C ATOM 760 CD GLN A 49 -5.831 -13.563 -1.589 1.00 0.00 C ATOM 761 OE1 GLN A 49 -6.177 -14.310 -2.502 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.105 -12.477 -1.804 1.00 0.00 N ATOM 0 H GLN A 49 -6.381 -13.160 2.132 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.896 -14.499 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.522 -15.119 -0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.738 -15.497 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.186 -14.367 -0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.369 -12.906 0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.836 -11.880 -1.022 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.815 -12.237 -2.752 1.00 0.00 H new ATOM 771 N ALA A 50 -3.742 -11.618 0.986 1.00 0.00 N ATOM 772 CA ALA A 50 -2.830 -10.633 0.425 1.00 0.00 C ATOM 773 C ALA A 50 -2.005 -10.030 1.543 1.00 0.00 C ATOM 774 O ALA A 50 -2.380 -10.133 2.711 1.00 0.00 O ATOM 775 CB ALA A 50 -3.601 -9.544 -0.300 1.00 0.00 C ATOM 0 H ALA A 50 -4.574 -11.223 1.424 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.173 -11.121 -0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.902 -8.817 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.183 -9.987 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.272 -9.046 0.400 1.00 0.00 H new ATOM 781 N ASP A 51 -0.884 -9.415 1.208 1.00 0.00 N ATOM 782 CA ASP A 51 -0.051 -8.818 2.234 1.00 0.00 C ATOM 783 C ASP A 51 -0.413 -7.366 2.444 1.00 0.00 C ATOM 784 O ASP A 51 -0.515 -6.588 1.496 1.00 0.00 O ATOM 785 CB ASP A 51 1.439 -8.956 1.929 1.00 0.00 C ATOM 786 CG ASP A 51 2.094 -10.019 2.790 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.464 -11.067 3.027 1.00 0.00 O ATOM 788 OD2 ASP A 51 3.241 -9.816 3.234 1.00 0.00 O ATOM 0 H ASP A 51 -0.536 -9.317 0.254 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.245 -9.368 3.155 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.573 -9.207 0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.934 -7.999 2.094 1.00 0.00 H new ATOM 793 N PHE A 52 -0.597 -7.021 3.701 1.00 0.00 N ATOM 794 CA PHE A 52 -1.096 -5.718 4.089 1.00 0.00 C ATOM 795 C PHE A 52 -0.047 -4.941 4.865 1.00 0.00 C ATOM 796 O PHE A 52 0.364 -5.352 5.952 1.00 0.00 O ATOM 797 CB PHE A 52 -2.348 -5.898 4.947 1.00 0.00 C ATOM 798 CG PHE A 52 -2.408 -7.232 5.644 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.656 -7.475 6.783 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.208 -8.247 5.148 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.702 -8.703 7.411 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.256 -9.478 5.772 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.504 -9.705 6.904 1.00 0.00 C ATOM 0 H PHE A 52 -0.403 -7.641 4.488 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.338 -5.152 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.385 -5.104 5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.230 -5.785 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.027 -6.694 7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.802 -8.074 4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.111 -8.880 8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.882 -10.262 5.373 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.542 -10.667 7.394 1.00 0.00 H new ATOM 813 N TYR A 53 0.393 -3.825 4.304 1.00 0.00 N ATOM 814 CA TYR A 53 1.363 -2.972 4.976 1.00 0.00 C ATOM 815 C TYR A 53 1.027 -1.510 4.757 1.00 0.00 C ATOM 816 O TYR A 53 0.426 -1.158 3.752 1.00 0.00 O ATOM 817 CB TYR A 53 2.782 -3.269 4.489 1.00 0.00 C ATOM 818 CG TYR A 53 3.232 -4.696 4.713 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.848 -5.074 5.898 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.037 -5.664 3.737 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.256 -6.376 6.105 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.443 -6.966 3.936 1.00 0.00 C ATOM 823 CZ TYR A 53 4.052 -7.316 5.121 1.00 0.00 C ATOM 824 OH TYR A 53 4.442 -8.619 5.324 1.00 0.00 O ATOM 0 H TYR A 53 0.095 -3.489 3.388 1.00 0.00 H new ATOM 0 HA TYR A 53 1.317 -3.185 6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.842 -3.044 3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.475 -2.598 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.011 -4.337 6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.560 -5.392 2.807 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.732 -6.655 7.033 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.285 -7.708 3.167 1.00 0.00 H new ATOM 0 HH TYR A 53 4.224 -9.153 4.531 1.00 0.00 H new ATOM 834 N LYS A 54 1.402 -0.668 5.712 1.00 0.00 N ATOM 835 CA LYS A 54 1.056 0.742 5.663 1.00 0.00 C ATOM 836 C LYS A 54 2.133 1.597 6.327 1.00 0.00 C ATOM 837 O LYS A 54 2.851 1.123 7.212 1.00 0.00 O ATOM 838 CB LYS A 54 -0.301 0.958 6.334 1.00 0.00 C ATOM 839 CG LYS A 54 -0.303 0.803 7.848 1.00 0.00 C ATOM 840 CD LYS A 54 -1.614 1.300 8.440 1.00 0.00 C ATOM 841 CE LYS A 54 -1.624 1.226 9.959 1.00 0.00 C ATOM 842 NZ LYS A 54 -1.956 -0.134 10.457 1.00 0.00 N ATOM 0 H LYS A 54 1.947 -0.940 6.530 1.00 0.00 H new ATOM 0 HA LYS A 54 0.992 1.052 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.657 1.958 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.015 0.252 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.154 -0.244 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.530 1.361 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.784 2.330 8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.438 0.706 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.647 1.521 10.341 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.348 1.940 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.645 -0.227 11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.984 -0.282 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.472 -0.845 9.873 1.00 0.00 H new ATOM 856 N LEU A 55 2.253 2.848 5.884 1.00 0.00 N ATOM 857 CA LEU A 55 3.278 3.752 6.391 1.00 0.00 C ATOM 858 C LEU A 55 2.907 5.212 6.101 1.00 0.00 C ATOM 859 O LEU A 55 2.181 5.494 5.142 1.00 0.00 O ATOM 860 CB LEU A 55 4.625 3.375 5.750 1.00 0.00 C ATOM 861 CG LEU A 55 5.801 4.314 6.025 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.109 3.543 5.980 1.00 0.00 C ATOM 863 CD2 LEU A 55 5.828 5.428 4.995 1.00 0.00 C ATOM 0 H LEU A 55 1.649 3.258 5.172 1.00 0.00 H new ATOM 0 HA LEU A 55 3.357 3.654 7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.898 2.377 6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.483 3.313 4.671 1.00 0.00 H new ATOM 0 HG LEU A 55 5.678 4.747 7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.939 4.222 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.095 2.758 6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.233 3.095 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.668 6.092 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.937 5.000 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.898 5.994 5.047 1.00 0.00 H new ATOM 875 N ASP A 56 3.390 6.132 6.941 1.00 0.00 N ATOM 876 CA ASP A 56 3.202 7.556 6.718 1.00 0.00 C ATOM 877 C ASP A 56 4.449 8.190 6.101 1.00 0.00 C ATOM 878 O ASP A 56 5.560 8.036 6.613 1.00 0.00 O ATOM 879 CB ASP A 56 2.856 8.273 8.023 1.00 0.00 C ATOM 880 CG ASP A 56 3.884 8.084 9.119 1.00 0.00 C ATOM 881 OD1 ASP A 56 3.881 7.018 9.775 1.00 0.00 O ATOM 882 OD2 ASP A 56 4.679 9.017 9.350 1.00 0.00 O ATOM 0 H ASP A 56 3.917 5.907 7.785 1.00 0.00 H new ATOM 0 HA ASP A 56 2.372 7.667 6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.745 9.339 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.890 7.914 8.378 1.00 0.00 H new ATOM 887 N VAL A 57 4.254 8.918 5.003 1.00 0.00 N ATOM 888 CA VAL A 57 5.363 9.529 4.273 1.00 0.00 C ATOM 889 C VAL A 57 5.944 10.714 5.046 1.00 0.00 C ATOM 890 O VAL A 57 7.008 11.226 4.705 1.00 0.00 O ATOM 891 CB VAL A 57 4.923 10.012 2.870 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.943 9.032 2.245 1.00 0.00 C ATOM 893 CG2 VAL A 57 4.315 11.405 2.935 1.00 0.00 C ATOM 0 H VAL A 57 3.335 9.099 4.598 1.00 0.00 H new ATOM 0 HA VAL A 57 6.126 8.759 4.160 1.00 0.00 H new ATOM 0 HB VAL A 57 5.812 10.060 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.647 9.392 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.417 8.055 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.061 8.945 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.015 11.718 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.442 11.391 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.051 12.105 3.329 1.00 0.00 H new ATOM 903 N ASP A 58 5.231 11.149 6.078 1.00 0.00 N ATOM 904 CA ASP A 58 5.676 12.278 6.885 1.00 0.00 C ATOM 905 C ASP A 58 6.956 11.918 7.617 1.00 0.00 C ATOM 906 O ASP A 58 7.934 12.667 7.592 1.00 0.00 O ATOM 907 CB ASP A 58 4.596 12.688 7.886 1.00 0.00 C ATOM 908 CG ASP A 58 5.042 13.828 8.780 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.008 14.996 8.336 1.00 0.00 O ATOM 910 OD2 ASP A 58 5.435 13.565 9.932 1.00 0.00 O ATOM 0 H ASP A 58 4.346 10.739 6.375 1.00 0.00 H new ATOM 0 HA ASP A 58 5.867 13.122 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.697 12.984 7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.330 11.829 8.502 1.00 0.00 H new ATOM 915 N GLU A 59 6.949 10.763 8.258 1.00 0.00 N ATOM 916 CA GLU A 59 8.139 10.253 8.911 1.00 0.00 C ATOM 917 C GLU A 59 9.074 9.602 7.901 1.00 0.00 C ATOM 918 O GLU A 59 10.289 9.787 7.963 1.00 0.00 O ATOM 919 CB GLU A 59 7.758 9.245 9.989 1.00 0.00 C ATOM 920 CG GLU A 59 7.258 9.884 11.273 1.00 0.00 C ATOM 921 CD GLU A 59 8.371 10.523 12.072 1.00 0.00 C ATOM 922 OE1 GLU A 59 9.280 9.792 12.515 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.345 11.756 12.264 1.00 0.00 O ATOM 0 H GLU A 59 6.130 10.160 8.340 1.00 0.00 H new ATOM 0 HA GLU A 59 8.659 11.092 9.374 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.985 8.583 9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.625 8.624 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.509 10.638 11.032 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.765 9.128 11.883 1.00 0.00 H new ATOM 930 N LEU A 60 8.509 8.845 6.967 1.00 0.00 N ATOM 931 CA LEU A 60 9.327 8.100 6.016 1.00 0.00 C ATOM 932 C LEU A 60 9.119 8.574 4.578 1.00 0.00 C ATOM 933 O LEU A 60 8.532 7.868 3.751 1.00 0.00 O ATOM 934 CB LEU A 60 9.046 6.596 6.112 1.00 0.00 C ATOM 935 CG LEU A 60 9.511 5.894 7.395 1.00 0.00 C ATOM 936 CD1 LEU A 60 10.901 6.357 7.794 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.519 6.106 8.529 1.00 0.00 C ATOM 0 H LEU A 60 7.502 8.731 6.848 1.00 0.00 H new ATOM 0 HA LEU A 60 10.367 8.289 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.972 6.442 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.521 6.105 5.263 1.00 0.00 H new ATOM 0 HG LEU A 60 9.558 4.824 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.207 5.845 8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.605 6.126 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.890 7.433 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.876 5.597 9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.421 7.172 8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.548 5.701 8.244 1.00 0.00 H new ATOM 949 N GLY A 61 9.628 9.760 4.276 1.00 0.00 N ATOM 950 CA GLY A 61 9.541 10.287 2.928 1.00 0.00 C ATOM 951 C GLY A 61 10.520 9.608 1.989 1.00 0.00 C ATOM 952 O GLY A 61 10.212 9.372 0.821 1.00 0.00 O ATOM 0 H GLY A 61 10.102 10.369 4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.527 10.155 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.738 11.359 2.944 1.00 0.00 H new ATOM 956 N ASP A 62 11.697 9.277 2.510 1.00 0.00 N ATOM 957 CA ASP A 62 12.725 8.580 1.735 1.00 0.00 C ATOM 958 C ASP A 62 12.230 7.221 1.285 1.00 0.00 C ATOM 959 O ASP A 62 12.605 6.720 0.222 1.00 0.00 O ATOM 960 CB ASP A 62 14.004 8.435 2.564 1.00 0.00 C ATOM 961 CG ASP A 62 15.038 7.540 1.909 1.00 0.00 C ATOM 962 OD1 ASP A 62 15.566 7.910 0.843 1.00 0.00 O ATOM 963 OD2 ASP A 62 15.342 6.463 2.469 1.00 0.00 O ATOM 0 H ASP A 62 11.967 9.481 3.472 1.00 0.00 H new ATOM 0 HA ASP A 62 12.947 9.172 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.438 9.422 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.751 8.031 3.544 1.00 0.00 H new ATOM 968 N VAL A 63 11.367 6.641 2.088 1.00 0.00 N ATOM 969 CA VAL A 63 10.737 5.388 1.739 1.00 0.00 C ATOM 970 C VAL A 63 9.778 5.605 0.584 1.00 0.00 C ATOM 971 O VAL A 63 9.872 4.927 -0.429 1.00 0.00 O ATOM 972 CB VAL A 63 9.979 4.784 2.924 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.354 3.456 2.535 1.00 0.00 C ATOM 974 CG2 VAL A 63 10.901 4.604 4.118 1.00 0.00 C ATOM 0 H VAL A 63 11.084 7.019 2.992 1.00 0.00 H new ATOM 0 HA VAL A 63 11.522 4.689 1.450 1.00 0.00 H new ATOM 0 HB VAL A 63 9.183 5.474 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.819 3.041 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.657 3.609 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.136 2.763 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.341 4.174 4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.720 3.937 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.304 5.572 4.415 1.00 0.00 H new ATOM 984 N ALA A 64 8.875 6.575 0.733 1.00 0.00 N ATOM 985 CA ALA A 64 7.927 6.915 -0.319 1.00 0.00 C ATOM 986 C ALA A 64 8.636 7.137 -1.651 1.00 0.00 C ATOM 987 O ALA A 64 8.174 6.675 -2.696 1.00 0.00 O ATOM 988 CB ALA A 64 7.139 8.155 0.071 1.00 0.00 C ATOM 0 H ALA A 64 8.783 7.139 1.578 1.00 0.00 H new ATOM 0 HA ALA A 64 7.240 6.078 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.433 8.402 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.594 7.964 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.824 8.990 0.219 1.00 0.00 H new ATOM 994 N GLN A 65 9.782 7.804 -1.601 1.00 0.00 N ATOM 995 CA GLN A 65 10.533 8.111 -2.816 1.00 0.00 C ATOM 996 C GLN A 65 11.131 6.846 -3.418 1.00 0.00 C ATOM 997 O GLN A 65 11.260 6.726 -4.638 1.00 0.00 O ATOM 998 CB GLN A 65 11.635 9.130 -2.532 1.00 0.00 C ATOM 999 CG GLN A 65 11.118 10.455 -1.997 1.00 0.00 C ATOM 1000 CD GLN A 65 12.200 11.514 -1.934 1.00 0.00 C ATOM 1001 OE1 GLN A 65 13.126 11.521 -2.744 1.00 0.00 O ATOM 1002 NE2 GLN A 65 12.095 12.413 -0.972 1.00 0.00 N ATOM 0 H GLN A 65 10.211 8.142 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 65 9.839 8.543 -3.536 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.334 8.705 -1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.195 9.312 -3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.305 10.808 -2.632 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.702 10.304 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.312 12.373 -0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.797 13.147 -0.881 1.00 0.00 H new ATOM 1011 N LYS A 66 11.478 5.900 -2.555 1.00 0.00 N ATOM 1012 CA LYS A 66 11.983 4.610 -2.974 1.00 0.00 C ATOM 1013 C LYS A 66 10.924 3.848 -3.778 1.00 0.00 C ATOM 1014 O LYS A 66 11.248 3.059 -4.667 1.00 0.00 O ATOM 1015 CB LYS A 66 12.414 3.830 -1.717 1.00 0.00 C ATOM 1016 CG LYS A 66 12.018 2.367 -1.692 1.00 0.00 C ATOM 1017 CD LYS A 66 12.870 1.499 -2.611 1.00 0.00 C ATOM 1018 CE LYS A 66 12.449 0.040 -2.524 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.169 -0.815 -3.507 1.00 0.00 N ATOM 0 H LYS A 66 11.415 6.011 -1.543 1.00 0.00 H new ATOM 0 HA LYS A 66 12.843 4.737 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.498 3.897 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.987 4.320 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.099 1.993 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.972 2.275 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.775 1.848 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.921 1.595 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.638 -0.331 -1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.375 -0.037 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.238 -1.785 -3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.648 -0.823 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.125 -0.435 -3.663 1.00 0.00 H new ATOM 1033 N ASN A 67 9.658 4.132 -3.498 1.00 0.00 N ATOM 1034 CA ASN A 67 8.563 3.348 -4.033 1.00 0.00 C ATOM 1035 C ASN A 67 7.876 4.079 -5.162 1.00 0.00 C ATOM 1036 O ASN A 67 7.028 3.506 -5.842 1.00 0.00 O ATOM 1037 CB ASN A 67 7.536 3.102 -2.951 1.00 0.00 C ATOM 1038 CG ASN A 67 8.140 2.745 -1.624 1.00 0.00 C ATOM 1039 OD1 ASN A 67 9.060 1.938 -1.531 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.648 3.394 -0.589 1.00 0.00 N ATOM 0 H ASN A 67 9.368 4.905 -2.899 1.00 0.00 H new ATOM 0 HA ASN A 67 8.975 2.408 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.922 3.995 -2.834 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.872 2.298 -3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.033 3.235 0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.882 4.055 -0.719 1.00 0.00 H new ATOM 1047 N GLU A 68 8.232 5.350 -5.326 1.00 0.00 N ATOM 1048 CA GLU A 68 7.662 6.210 -6.358 1.00 0.00 C ATOM 1049 C GLU A 68 6.299 6.766 -5.921 1.00 0.00 C ATOM 1050 O GLU A 68 5.501 7.219 -6.741 1.00 0.00 O ATOM 1051 CB GLU A 68 7.536 5.453 -7.691 1.00 0.00 C ATOM 1052 CG GLU A 68 7.146 6.319 -8.880 1.00 0.00 C ATOM 1053 CD GLU A 68 6.873 5.513 -10.133 1.00 0.00 C ATOM 1054 OE1 GLU A 68 7.843 5.105 -10.805 1.00 0.00 O ATOM 1055 OE2 GLU A 68 5.689 5.297 -10.464 1.00 0.00 O ATOM 0 H GLU A 68 8.928 5.815 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 68 8.339 7.051 -6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.487 4.968 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.794 4.663 -7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.258 6.897 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.945 7.033 -9.080 1.00 0.00 H new ATOM 1062 N VAL A 69 6.032 6.747 -4.625 1.00 0.00 N ATOM 1063 CA VAL A 69 4.813 7.354 -4.111 1.00 0.00 C ATOM 1064 C VAL A 69 5.098 8.767 -3.618 1.00 0.00 C ATOM 1065 O VAL A 69 5.916 8.977 -2.725 1.00 0.00 O ATOM 1066 CB VAL A 69 4.115 6.506 -3.007 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.106 5.806 -2.093 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.178 7.370 -2.177 1.00 0.00 C ATOM 0 H VAL A 69 6.633 6.324 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 69 4.108 7.396 -4.942 1.00 0.00 H new ATOM 0 HB VAL A 69 3.543 5.736 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.565 5.230 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.734 5.137 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.732 6.549 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.701 6.758 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.746 8.169 -1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.415 7.803 -2.823 1.00 0.00 H new ATOM 1078 N SER A 70 4.441 9.734 -4.238 1.00 0.00 N ATOM 1079 CA SER A 70 4.647 11.133 -3.906 1.00 0.00 C ATOM 1080 C SER A 70 3.358 11.754 -3.368 1.00 0.00 C ATOM 1081 O SER A 70 3.389 12.656 -2.528 1.00 0.00 O ATOM 1082 CB SER A 70 5.121 11.888 -5.148 1.00 0.00 C ATOM 1083 OG SER A 70 6.189 11.200 -5.786 1.00 0.00 O ATOM 0 H SER A 70 3.757 9.573 -4.978 1.00 0.00 H new ATOM 0 HA SER A 70 5.408 11.204 -3.129 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.291 12.005 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.445 12.890 -4.867 1.00 0.00 H new ATOM 0 HG SER A 70 6.474 11.701 -6.578 1.00 0.00 H new ATOM 1089 N ALA A 71 2.227 11.259 -3.853 1.00 0.00 N ATOM 1090 CA ALA A 71 0.929 11.749 -3.417 1.00 0.00 C ATOM 1091 C ALA A 71 0.405 10.902 -2.268 1.00 0.00 C ATOM 1092 O ALA A 71 0.893 9.796 -2.029 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.058 11.742 -4.575 1.00 0.00 C ATOM 0 H ALA A 71 2.184 10.516 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 71 1.044 12.775 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.024 12.112 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.313 12.384 -5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.171 10.725 -4.951 1.00 0.00 H new ATOM 1099 N MET A 72 -0.586 11.413 -1.561 1.00 0.00 N ATOM 1100 CA MET A 72 -1.162 10.694 -0.439 1.00 0.00 C ATOM 1101 C MET A 72 -2.662 10.943 -0.345 1.00 0.00 C ATOM 1102 O MET A 72 -3.128 12.065 -0.533 1.00 0.00 O ATOM 1103 CB MET A 72 -0.479 11.079 0.883 1.00 0.00 C ATOM 1104 CG MET A 72 -0.501 12.570 1.200 1.00 0.00 C ATOM 1105 SD MET A 72 0.666 13.529 0.213 1.00 0.00 S ATOM 1106 CE MET A 72 2.214 12.742 0.654 1.00 0.00 C ATOM 0 H MET A 72 -1.009 12.323 -1.744 1.00 0.00 H new ATOM 0 HA MET A 72 -0.994 9.631 -0.613 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.964 10.541 1.697 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.557 10.743 0.852 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.507 12.954 1.034 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.275 12.713 2.257 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.980 13.503 0.802 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.084 12.174 1.575 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.521 12.069 -0.147 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.437 9.892 -0.057 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.903 8.551 0.147 1.00 0.00 C ATOM 1118 C PRO A 73 -2.680 7.788 -1.165 1.00 0.00 C ATOM 1119 O PRO A 73 -3.350 8.037 -2.169 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.973 7.883 1.003 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.256 8.583 0.677 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.899 9.937 0.112 1.00 0.00 C ATOM 0 HA PRO A 73 -1.917 8.568 0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.042 6.818 0.781 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.737 7.973 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.836 8.007 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.873 8.690 1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.403 10.116 -0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.196 10.740 0.787 1.00 0.00 H new ATOM 1130 N THR A 74 -1.722 6.873 -1.137 1.00 0.00 N ATOM 1131 CA THR A 74 -1.345 6.083 -2.299 1.00 0.00 C ATOM 1132 C THR A 74 -1.266 4.606 -1.942 1.00 0.00 C ATOM 1133 O THR A 74 -0.726 4.231 -0.902 1.00 0.00 O ATOM 1134 CB THR A 74 0.021 6.548 -2.856 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.113 7.819 -3.506 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.628 5.530 -3.821 1.00 0.00 C ATOM 0 H THR A 74 -1.180 6.657 -0.300 1.00 0.00 H new ATOM 0 HA THR A 74 -2.111 6.227 -3.061 1.00 0.00 H new ATOM 0 HB THR A 74 0.699 6.642 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.236 8.524 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.586 5.901 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.779 4.583 -3.303 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.047 5.380 -4.663 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.829 3.778 -2.798 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.723 2.344 -2.655 1.00 0.00 C ATOM 1146 C LEU A 75 -0.735 1.803 -3.676 1.00 0.00 C ATOM 1147 O LEU A 75 -0.836 2.119 -4.861 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.068 1.678 -2.898 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.213 2.089 -1.978 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.103 3.140 -2.638 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.015 0.860 -1.605 1.00 0.00 C ATOM 0 H LEU A 75 -2.370 4.080 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.387 2.128 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.368 1.882 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.934 0.600 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.799 2.539 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.910 3.413 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.510 4.025 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.525 2.734 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.835 1.147 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.417 0.400 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.370 0.147 -1.091 1.00 0.00 H new ATOM 1163 N LEU A 76 0.212 0.999 -3.233 1.00 0.00 N ATOM 1164 CA LEU A 76 1.150 0.376 -4.147 1.00 0.00 C ATOM 1165 C LEU A 76 1.073 -1.143 -4.054 1.00 0.00 C ATOM 1166 O LEU A 76 1.359 -1.730 -3.010 1.00 0.00 O ATOM 1167 CB LEU A 76 2.573 0.864 -3.876 1.00 0.00 C ATOM 1168 CG LEU A 76 3.202 1.663 -5.021 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.562 2.210 -4.611 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.322 0.792 -6.264 1.00 0.00 C ATOM 0 H LEU A 76 0.352 0.762 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 76 0.877 0.666 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.566 1.484 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.204 0.001 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 76 2.555 2.509 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.992 2.774 -5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.446 2.864 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.224 1.383 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.770 1.370 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.950 -0.071 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.332 0.453 -6.567 1.00 0.00 H new ATOM 1182 N LEU A 77 0.658 -1.762 -5.149 1.00 0.00 N ATOM 1183 CA LEU A 77 0.554 -3.211 -5.240 1.00 0.00 C ATOM 1184 C LEU A 77 1.792 -3.748 -5.951 1.00 0.00 C ATOM 1185 O LEU A 77 2.186 -3.222 -6.996 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.703 -3.627 -6.030 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.080 -3.482 -5.345 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.189 -2.201 -4.530 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.163 -3.495 -6.407 1.00 0.00 C ATOM 0 H LEU A 77 0.383 -1.273 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 77 0.479 -3.622 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.726 -3.043 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.584 -4.671 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.200 -4.319 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.175 -2.146 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.424 -2.198 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.046 -1.341 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.139 -3.393 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.006 -2.666 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.123 -4.436 -6.956 1.00 0.00 H new ATOM 1201 N PHE A 78 2.398 -4.786 -5.401 1.00 0.00 N ATOM 1202 CA PHE A 78 3.607 -5.358 -5.987 1.00 0.00 C ATOM 1203 C PHE A 78 3.503 -6.878 -6.126 1.00 0.00 C ATOM 1204 O PHE A 78 2.751 -7.524 -5.390 1.00 0.00 O ATOM 1205 CB PHE A 78 4.821 -5.019 -5.128 1.00 0.00 C ATOM 1206 CG PHE A 78 5.351 -3.628 -5.328 1.00 0.00 C ATOM 1207 CD1 PHE A 78 6.319 -3.374 -6.287 1.00 0.00 C ATOM 1208 CD2 PHE A 78 4.899 -2.581 -4.550 1.00 0.00 C ATOM 1209 CE1 PHE A 78 6.823 -2.103 -6.467 1.00 0.00 C ATOM 1210 CE2 PHE A 78 5.398 -1.308 -4.726 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.362 -1.068 -5.684 1.00 0.00 C ATOM 0 H PHE A 78 2.077 -5.252 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 78 3.721 -4.926 -6.981 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.556 -5.147 -4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.616 -5.733 -5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.684 -4.183 -6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.147 -2.761 -3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.576 -1.920 -7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.034 -0.497 -4.113 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.754 -0.071 -5.819 1.00 0.00 H new ATOM 1221 N LYS A 79 4.242 -7.442 -7.085 1.00 0.00 N ATOM 1222 CA LYS A 79 4.393 -8.890 -7.189 1.00 0.00 C ATOM 1223 C LYS A 79 5.871 -9.256 -7.379 1.00 0.00 C ATOM 1224 O LYS A 79 6.487 -8.859 -8.362 1.00 0.00 O ATOM 1225 CB LYS A 79 3.568 -9.427 -8.359 1.00 0.00 C ATOM 1226 CG LYS A 79 3.467 -10.947 -8.411 1.00 0.00 C ATOM 1227 CD LYS A 79 2.693 -11.511 -7.227 1.00 0.00 C ATOM 1228 CE LYS A 79 1.216 -11.150 -7.290 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.530 -11.802 -8.434 1.00 0.00 N ATOM 0 H LYS A 79 4.744 -6.915 -7.799 1.00 0.00 H new ATOM 0 HA LYS A 79 4.032 -9.344 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.563 -9.010 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.007 -9.072 -9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.978 -11.246 -9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.469 -11.376 -8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.801 -12.595 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.120 -11.130 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.731 -11.447 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.111 -10.068 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.437 -12.063 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.493 -11.143 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.053 -12.657 -8.711 1.00 0.00 H new ATOM 1243 N ASN A 80 6.416 -10.008 -6.418 1.00 0.00 N ATOM 1244 CA ASN A 80 7.821 -10.482 -6.425 1.00 0.00 C ATOM 1245 C ASN A 80 8.834 -9.406 -6.840 1.00 0.00 C ATOM 1246 O ASN A 80 9.630 -9.601 -7.759 1.00 0.00 O ATOM 1247 CB ASN A 80 8.014 -11.751 -7.285 1.00 0.00 C ATOM 1248 CG ASN A 80 7.570 -11.619 -8.733 1.00 0.00 C ATOM 1249 OD1 ASN A 80 8.312 -11.133 -9.589 1.00 0.00 O ATOM 1250 ND2 ASN A 80 6.375 -12.100 -9.031 1.00 0.00 N ATOM 0 H ASN A 80 5.894 -10.314 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 80 8.027 -10.734 -5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.068 -12.027 -7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.463 -12.571 -6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.041 -12.076 -9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.787 -12.495 -8.297 1.00 0.00 H new ATOM 1257 N GLY A 81 8.826 -8.280 -6.141 1.00 0.00 N ATOM 1258 CA GLY A 81 9.795 -7.228 -6.414 1.00 0.00 C ATOM 1259 C GLY A 81 9.411 -6.379 -7.605 1.00 0.00 C ATOM 1260 O GLY A 81 10.060 -5.374 -7.900 1.00 0.00 O ATOM 0 H GLY A 81 8.168 -8.072 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.892 -6.591 -5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.772 -7.677 -6.592 1.00 0.00 H new ATOM 1264 N LYS A 82 8.347 -6.771 -8.281 1.00 0.00 N ATOM 1265 CA LYS A 82 7.859 -6.040 -9.427 1.00 0.00 C ATOM 1266 C LYS A 82 6.566 -5.372 -9.026 1.00 0.00 C ATOM 1267 O LYS A 82 5.953 -5.772 -8.049 1.00 0.00 O ATOM 1268 CB LYS A 82 7.608 -6.989 -10.606 1.00 0.00 C ATOM 1269 CG LYS A 82 8.777 -7.910 -10.922 1.00 0.00 C ATOM 1270 CD LYS A 82 10.015 -7.133 -11.341 1.00 0.00 C ATOM 1271 CE LYS A 82 9.807 -6.409 -12.663 1.00 0.00 C ATOM 1272 NZ LYS A 82 11.026 -5.675 -13.092 1.00 0.00 N ATOM 0 H LYS A 82 7.802 -7.601 -8.050 1.00 0.00 H new ATOM 0 HA LYS A 82 8.597 -5.302 -9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.729 -7.596 -10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.376 -6.397 -11.492 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.008 -8.516 -10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.493 -8.597 -11.719 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.269 -6.410 -10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.860 -7.816 -11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.528 -7.130 -13.432 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.977 -5.709 -12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.842 -5.196 -13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.278 -4.969 -12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.812 -6.346 -13.209 1.00 0.00 H new ATOM 1286 N GLU A 83 6.157 -4.357 -9.748 1.00 0.00 N ATOM 1287 CA GLU A 83 4.884 -3.724 -9.478 1.00 0.00 C ATOM 1288 C GLU A 83 3.758 -4.644 -9.946 1.00 0.00 C ATOM 1289 O GLU A 83 4.016 -5.755 -10.408 1.00 0.00 O ATOM 1290 CB GLU A 83 4.828 -2.379 -10.208 1.00 0.00 C ATOM 1291 CG GLU A 83 3.700 -1.468 -9.755 1.00 0.00 C ATOM 1292 CD GLU A 83 3.767 -0.107 -10.412 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.638 0.707 -10.032 1.00 0.00 O ATOM 1294 OE2 GLU A 83 2.953 0.154 -11.322 1.00 0.00 O ATOM 0 H GLU A 83 6.682 -3.952 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 83 4.767 -3.546 -8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.777 -1.862 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.723 -2.563 -11.277 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.743 -1.935 -9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.743 -1.350 -8.672 1.00 0.00 H new ATOM 1301 N VAL A 84 2.526 -4.214 -9.738 1.00 0.00 N ATOM 1302 CA VAL A 84 1.374 -4.778 -10.424 1.00 0.00 C ATOM 1303 C VAL A 84 0.316 -3.704 -10.600 1.00 0.00 C ATOM 1304 O VAL A 84 -0.384 -3.672 -11.613 1.00 0.00 O ATOM 1305 CB VAL A 84 0.754 -6.002 -9.721 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.445 -7.289 -10.135 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.817 -5.841 -8.227 1.00 0.00 C ATOM 0 H VAL A 84 2.294 -3.463 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 84 1.739 -5.136 -11.387 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.290 -6.064 -10.028 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.983 -8.132 -9.621 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.348 -7.424 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.501 -7.237 -9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.375 -6.715 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.857 -5.744 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.265 -4.948 -7.934 1.00 0.00 H new ATOM 1317 N ALA A 85 0.223 -2.809 -9.620 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.717 -1.702 -9.688 1.00 0.00 C ATOM 1319 C ALA A 85 -0.422 -0.656 -8.626 1.00 0.00 C ATOM 1320 O ALA A 85 0.216 -0.945 -7.620 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.144 -2.207 -9.554 1.00 0.00 C ATOM 0 H ALA A 85 0.788 -2.832 -8.771 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.602 -1.228 -10.663 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.834 -1.365 -9.607 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.360 -2.905 -10.363 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.262 -2.713 -8.596 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.874 0.564 -8.869 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.726 1.650 -7.912 1.00 0.00 C ATOM 1329 C LYS A 86 -1.849 2.659 -8.086 1.00 0.00 C ATOM 1330 O LYS A 86 -2.195 3.033 -9.207 1.00 0.00 O ATOM 1331 CB LYS A 86 0.636 2.327 -8.066 1.00 0.00 C ATOM 1332 CG LYS A 86 0.954 2.757 -9.485 1.00 0.00 C ATOM 1333 CD LYS A 86 2.418 3.115 -9.625 1.00 0.00 C ATOM 1334 CE LYS A 86 2.802 3.336 -11.073 1.00 0.00 C ATOM 1335 NZ LYS A 86 4.262 3.175 -11.279 1.00 0.00 N ATOM 0 H LYS A 86 -1.352 0.829 -9.730 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.784 1.235 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.671 3.201 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.411 1.642 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.704 1.953 -10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.338 3.614 -9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.629 4.017 -9.050 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.030 2.318 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.264 2.629 -11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.498 4.336 -11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.495 3.366 -12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.774 3.843 -10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.541 2.202 -11.039 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.433 3.081 -6.976 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.593 3.957 -7.014 1.00 0.00 C ATOM 1351 C VAL A 87 -3.405 5.126 -6.057 1.00 0.00 C ATOM 1352 O VAL A 87 -3.167 4.927 -4.867 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.890 3.198 -6.645 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -6.110 4.062 -6.914 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.992 1.880 -7.401 1.00 0.00 C ATOM 0 H VAL A 87 -2.123 2.831 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.688 4.328 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.853 2.972 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.012 3.511 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.051 4.971 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.144 4.325 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.914 1.370 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.997 2.075 -8.473 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.138 1.250 -7.151 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.518 6.337 -6.574 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.331 7.533 -5.762 1.00 0.00 C ATOM 1367 C VAL A 88 -4.658 8.022 -5.181 1.00 0.00 C ATOM 1368 O VAL A 88 -5.017 9.195 -5.307 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.658 8.665 -6.574 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.208 8.314 -6.868 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.410 8.933 -7.873 1.00 0.00 C ATOM 0 H VAL A 88 -3.738 6.521 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.672 7.262 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.687 9.574 -5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.747 9.120 -7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.669 8.180 -5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.167 7.390 -7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.914 9.733 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.420 8.028 -8.481 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.434 9.229 -7.646 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.379 7.121 -4.528 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.657 7.473 -3.950 1.00 0.00 C ATOM 1383 C GLY A 89 -7.499 6.252 -3.663 1.00 0.00 C ATOM 1384 O GLY A 89 -7.709 5.416 -4.543 1.00 0.00 O ATOM 0 H GLY A 89 -5.099 6.150 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.497 8.029 -3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.194 8.133 -4.631 1.00 0.00 H new ATOM 1388 N ALA A 90 -7.967 6.137 -2.431 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.772 5.002 -2.023 1.00 0.00 C ATOM 1390 C ALA A 90 -10.072 4.944 -2.782 1.00 0.00 C ATOM 1391 O ALA A 90 -10.879 5.874 -2.746 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.066 5.067 -0.553 1.00 0.00 C ATOM 0 H ALA A 90 -7.801 6.822 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.197 4.103 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.671 4.207 -0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.130 5.056 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.611 5.985 -0.331 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.267 3.845 -3.461 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.492 3.606 -4.175 1.00 0.00 C ATOM 1400 C ASN A 91 -12.182 2.385 -3.581 1.00 0.00 C ATOM 1401 O ASN A 91 -11.921 1.269 -4.015 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.180 3.386 -5.648 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.142 4.126 -6.554 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -11.788 4.509 -7.668 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -13.358 4.348 -6.078 1.00 0.00 N ATOM 0 H ASN A 91 -9.583 3.092 -3.534 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.157 4.465 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.162 3.716 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.221 2.320 -5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.042 4.854 -6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.611 4.013 -5.148 1.00 0.00 H new ATOM 1412 N PRO A 92 -13.062 2.600 -2.576 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.697 1.556 -1.766 1.00 0.00 C ATOM 1414 C PRO A 92 -13.738 0.157 -2.389 1.00 0.00 C ATOM 1415 O PRO A 92 -12.952 -0.711 -2.013 1.00 0.00 O ATOM 1416 CB PRO A 92 -15.097 2.128 -1.582 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.898 3.616 -1.525 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.534 3.917 -2.118 1.00 0.00 C ATOM 0 HA PRO A 92 -13.137 1.366 -0.850 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.751 1.848 -2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.560 1.755 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.681 4.129 -2.084 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.956 3.971 -0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.602 4.628 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.861 4.350 -1.378 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.626 -0.057 -3.349 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.820 -1.384 -3.926 1.00 0.00 C ATOM 1428 C ALA A 93 -13.811 -1.674 -5.028 1.00 0.00 C ATOM 1429 O ALA A 93 -13.364 -2.809 -5.183 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.239 -1.528 -4.455 1.00 0.00 C ATOM 0 H ALA A 93 -15.224 0.668 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.660 -2.115 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.369 -2.522 -4.882 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.948 -1.388 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.419 -0.777 -5.224 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.437 -0.645 -5.781 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.529 -0.823 -6.908 1.00 0.00 C ATOM 1438 C ALA A 94 -11.147 -1.257 -6.445 1.00 0.00 C ATOM 1439 O ALA A 94 -10.438 -1.951 -7.168 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.433 0.451 -7.730 1.00 0.00 C ATOM 0 H ALA A 94 -13.746 0.316 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.938 -1.614 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.750 0.295 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.420 0.713 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.060 1.261 -7.103 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.764 -0.847 -5.242 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.490 -1.266 -4.676 1.00 0.00 C ATOM 1448 C ILE A 95 -9.564 -2.722 -4.246 1.00 0.00 C ATOM 1449 O ILE A 95 -8.655 -3.507 -4.515 1.00 0.00 O ATOM 1450 CB ILE A 95 -9.062 -0.402 -3.473 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.794 1.041 -3.908 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.827 -0.993 -2.809 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.714 1.177 -4.958 1.00 0.00 C ATOM 0 H ILE A 95 -11.313 -0.230 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.741 -1.139 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.878 -0.395 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.718 1.471 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.512 1.627 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.537 -0.372 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.049 -2.002 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -7.009 -1.029 -3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.584 2.229 -5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.777 0.779 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.002 0.621 -5.850 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.666 -3.086 -3.601 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.869 -4.461 -3.167 1.00 0.00 C ATOM 1467 C LYS A 96 -10.959 -5.380 -4.384 1.00 0.00 C ATOM 1468 O LYS A 96 -10.690 -6.579 -4.309 1.00 0.00 O ATOM 1469 CB LYS A 96 -12.136 -4.588 -2.316 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.219 -3.599 -1.169 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.566 -3.699 -0.472 1.00 0.00 C ATOM 1472 CE LYS A 96 -13.721 -2.652 0.617 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.086 -2.673 1.205 1.00 0.00 N ATOM 0 H LYS A 96 -11.429 -2.451 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.018 -4.757 -2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.006 -4.455 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.189 -5.599 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.419 -3.794 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.072 -2.586 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.364 -3.580 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.677 -4.693 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.984 -2.829 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.517 -1.664 0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.156 -1.946 1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.787 -2.480 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.271 -3.608 1.620 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.350 -4.809 -5.508 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.371 -5.540 -6.761 1.00 0.00 C ATOM 1489 C GLN A 97 -9.991 -5.526 -7.417 1.00 0.00 C ATOM 1490 O GLN A 97 -9.618 -6.468 -8.118 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.422 -4.944 -7.700 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.650 -5.766 -8.958 1.00 0.00 C ATOM 1493 CD GLN A 97 -13.031 -7.200 -8.646 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -14.207 -7.519 -8.466 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.041 -8.074 -8.587 1.00 0.00 N ATOM 0 H GLN A 97 -11.658 -3.839 -5.579 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.636 -6.577 -6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.365 -4.849 -7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.114 -3.938 -7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.438 -5.304 -9.553 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.745 -5.757 -9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.081 -7.768 -8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.238 -9.054 -8.386 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.225 -4.470 -7.159 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.895 -4.329 -7.730 1.00 0.00 C ATOM 1506 C ALA A 98 -6.982 -5.412 -7.201 1.00 0.00 C ATOM 1507 O ALA A 98 -6.392 -6.163 -7.961 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.319 -2.956 -7.423 1.00 0.00 C ATOM 0 H ALA A 98 -9.507 -3.698 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.973 -4.432 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.324 -2.873 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.966 -2.187 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.254 -2.822 -6.343 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.903 -5.503 -5.888 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.051 -6.482 -5.223 1.00 0.00 C ATOM 1516 C ILE A 99 -6.303 -7.882 -5.780 1.00 0.00 C ATOM 1517 O ILE A 99 -5.371 -8.651 -5.999 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.290 -6.513 -3.697 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.440 -5.101 -3.121 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.150 -7.248 -3.017 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.465 -4.101 -3.682 1.00 0.00 C ATOM 0 H ILE A 99 -7.425 -4.904 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.021 -6.180 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.224 -7.042 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.454 -4.749 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.315 -5.146 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.321 -7.268 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.098 -8.269 -3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.211 -6.735 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.638 -3.128 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.447 -4.427 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.604 -4.023 -4.760 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.572 -8.184 -6.037 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.962 -9.487 -6.565 1.00 0.00 C ATOM 1535 C ALA A 100 -7.555 -9.639 -8.031 1.00 0.00 C ATOM 1536 O ALA A 100 -7.324 -10.748 -8.509 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.463 -9.688 -6.409 1.00 0.00 C ATOM 0 H ALA A 100 -8.350 -7.542 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.438 -10.253 -5.993 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.743 -10.664 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.729 -9.636 -5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.993 -8.908 -6.955 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.458 -8.521 -8.734 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.084 -8.521 -10.144 1.00 0.00 C ATOM 1545 C ALA A 101 -5.575 -8.672 -10.320 1.00 0.00 C ATOM 1546 O ALA A 101 -5.103 -9.174 -11.342 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.555 -7.234 -10.808 1.00 0.00 C ATOM 0 H ALA A 101 -7.634 -7.593 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.568 -9.375 -10.619 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.271 -7.243 -11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.639 -7.157 -10.725 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.092 -6.379 -10.315 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.824 -8.230 -9.321 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.365 -8.266 -9.385 1.00 0.00 C ATOM 1555 C ASN A 102 -2.819 -9.504 -8.685 1.00 0.00 C ATOM 1556 O ASN A 102 -1.652 -9.865 -8.853 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.771 -6.999 -8.766 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.259 -5.736 -9.447 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.731 -5.325 -10.479 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.256 -5.101 -8.854 1.00 0.00 N ATOM 0 H ASN A 102 -5.199 -7.842 -8.455 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.074 -8.312 -10.434 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.029 -6.960 -7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.684 -7.044 -8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.617 -4.234 -9.252 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.664 -5.478 -7.999 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.664 -10.147 -7.889 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.286 -11.380 -7.212 1.00 0.00 C ATOM 1569 C ALA A 103 -3.163 -12.530 -8.209 1.00 0.00 C ATOM 1570 O ALA A 103 -4.195 -13.142 -8.549 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.294 -11.722 -6.124 1.00 0.00 C ATOM 1572 OXT ALA A 103 -2.029 -12.819 -8.646 1.00 0.00 O ATOM 0 H ALA A 103 -4.616 -9.835 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.313 -11.228 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.996 -12.646 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.329 -10.914 -5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.280 -11.851 -6.569 1.00 0.00 H new