USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 550 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 73 TYR OH : rot 180:sc= 0.742 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -167:sc= 0.909 (180deg=-0.192) USER MOD Set 2.1: A 72 ASN : amide:sc= 0.187 K(o=0.4,f=-0.44) USER MOD Set 2.2: A 76 GLN : amide:sc= 0.208 K(o=0.4,f=-0.43) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.1 USER MOD Single : A 57 SER OG : rot 69:sc= 0.926 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 63 LYS NZ :NH3+ 145:sc=0.000144 (180deg=-1.82!) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 0.288 (180deg=0.192) USER MOD Single : A 67 THR OG1 : rot -100:sc= -1.94 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.177) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.02) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 97 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.21) USER MOD Single : A 100 SER OG : rot -91:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 32.772 -7.716 -2.702 1.00 0.00 N ATOM 22 CA ALA A 2 33.923 -6.876 -2.437 1.00 0.00 C ATOM 23 C ALA A 2 33.696 -5.477 -2.969 1.00 0.00 C ATOM 24 O ALA A 2 34.022 -4.500 -2.313 1.00 0.00 O ATOM 25 CB ALA A 2 35.183 -7.487 -3.025 1.00 0.00 C ATOM 0 HA ALA A 2 34.057 -6.808 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 2 36.034 -6.839 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 2 35.354 -8.467 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 2 35.067 -7.593 -4.104 1.00 0.00 H new ATOM 31 N ASP A 3 33.068 -5.394 -4.129 1.00 0.00 N ATOM 32 CA ASP A 3 32.783 -4.121 -4.766 1.00 0.00 C ATOM 33 C ASP A 3 31.725 -3.395 -3.964 1.00 0.00 C ATOM 34 O ASP A 3 31.756 -2.167 -3.819 1.00 0.00 O ATOM 35 CB ASP A 3 32.272 -4.336 -6.197 1.00 0.00 C ATOM 36 CG ASP A 3 33.234 -5.080 -7.092 1.00 0.00 C ATOM 37 OD1 ASP A 3 33.278 -6.349 -7.025 1.00 0.00 O ATOM 38 OD2 ASP A 3 33.953 -4.442 -7.876 1.00 0.00 O ATOM 0 H ASP A 3 32.742 -6.205 -4.654 1.00 0.00 H new ATOM 0 HA ASP A 3 33.699 -3.532 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 3 31.332 -4.886 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 3 32.055 -3.365 -6.643 1.00 0.00 H new ATOM 43 N GLU A 4 30.812 -4.174 -3.411 1.00 0.00 N ATOM 44 CA GLU A 4 29.720 -3.667 -2.622 1.00 0.00 C ATOM 45 C GLU A 4 30.248 -3.103 -1.307 1.00 0.00 C ATOM 46 O GLU A 4 29.935 -1.977 -0.948 1.00 0.00 O ATOM 47 CB GLU A 4 28.710 -4.783 -2.360 1.00 0.00 C ATOM 48 CG GLU A 4 27.325 -4.292 -1.991 1.00 0.00 C ATOM 49 CD GLU A 4 26.722 -3.452 -3.094 1.00 0.00 C ATOM 50 OE1 GLU A 4 26.607 -3.936 -4.245 1.00 0.00 O ATOM 51 OE2 GLU A 4 26.399 -2.273 -2.849 1.00 0.00 O ATOM 0 H GLU A 4 30.815 -5.190 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 4 29.221 -2.866 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.637 -5.408 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 4 29.085 -5.416 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.678 -5.145 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 4 27.378 -3.706 -1.074 1.00 0.00 H new ATOM 58 N GLU A 5 31.077 -3.877 -0.616 1.00 0.00 N ATOM 59 CA GLU A 5 31.666 -3.446 0.646 1.00 0.00 C ATOM 60 C GLU A 5 32.655 -2.303 0.450 1.00 0.00 C ATOM 61 O GLU A 5 32.864 -1.486 1.357 1.00 0.00 O ATOM 62 CB GLU A 5 32.311 -4.612 1.388 1.00 0.00 C ATOM 63 CG GLU A 5 31.308 -5.624 1.912 1.00 0.00 C ATOM 64 CD GLU A 5 30.353 -5.015 2.917 1.00 0.00 C ATOM 65 OE1 GLU A 5 30.721 -4.904 4.112 1.00 0.00 O ATOM 66 OE2 GLU A 5 29.217 -4.651 2.544 1.00 0.00 O ATOM 0 H GLU A 5 31.358 -4.812 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 5 30.852 -3.068 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 5 33.009 -5.116 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 5 32.894 -4.223 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 5 30.741 -6.036 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 5 31.841 -6.454 2.376 1.00 0.00 H new ATOM 73 N LEU A 6 33.262 -2.248 -0.715 1.00 0.00 N ATOM 74 CA LEU A 6 34.148 -1.156 -1.059 1.00 0.00 C ATOM 75 C LEU A 6 33.331 0.123 -1.209 1.00 0.00 C ATOM 76 O LEU A 6 33.665 1.169 -0.634 1.00 0.00 O ATOM 77 CB LEU A 6 34.891 -1.451 -2.367 1.00 0.00 C ATOM 78 CG LEU A 6 35.896 -0.393 -2.827 1.00 0.00 C ATOM 79 CD1 LEU A 6 37.020 -0.244 -1.817 1.00 0.00 C ATOM 80 CD2 LEU A 6 36.445 -0.734 -4.201 1.00 0.00 C ATOM 0 H LEU A 6 33.157 -2.952 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 6 34.885 -1.036 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 6 35.418 -2.398 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 6 34.153 -1.588 -3.157 1.00 0.00 H new ATOM 0 HG LEU A 6 35.376 0.562 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 6 37.723 0.513 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 6 36.607 0.058 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 6 37.538 -1.197 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 6 37.158 0.031 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 6 36.946 -1.701 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 6 35.626 -0.777 -4.919 1.00 0.00 H new ATOM 92 N GLU A 7 32.240 0.022 -1.955 1.00 0.00 N ATOM 93 CA GLU A 7 31.358 1.145 -2.215 1.00 0.00 C ATOM 94 C GLU A 7 30.692 1.581 -0.906 1.00 0.00 C ATOM 95 O GLU A 7 30.382 2.758 -0.705 1.00 0.00 O ATOM 96 CB GLU A 7 30.293 0.733 -3.232 1.00 0.00 C ATOM 97 CG GLU A 7 29.601 1.890 -3.930 1.00 0.00 C ATOM 98 CD GLU A 7 30.548 2.672 -4.802 1.00 0.00 C ATOM 99 OE1 GLU A 7 31.116 2.083 -5.752 1.00 0.00 O ATOM 100 OE2 GLU A 7 30.729 3.877 -4.570 1.00 0.00 O ATOM 0 H GLU A 7 31.942 -0.847 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 7 31.933 1.978 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 7 30.757 0.097 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.540 0.130 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.781 1.508 -4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 7 29.163 2.554 -3.184 1.00 0.00 H new ATOM 107 N ALA A 8 30.498 0.614 -0.020 1.00 0.00 N ATOM 108 CA ALA A 8 29.911 0.829 1.290 1.00 0.00 C ATOM 109 C ALA A 8 30.695 1.847 2.097 1.00 0.00 C ATOM 110 O ALA A 8 30.113 2.637 2.795 1.00 0.00 O ATOM 111 CB ALA A 8 29.810 -0.477 2.055 1.00 0.00 C ATOM 0 H ALA A 8 30.750 -0.358 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 8 28.908 1.226 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 8 29.367 -0.292 3.034 1.00 0.00 H new ATOM 0 HB2 ALA A 8 29.185 -1.176 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 8 30.806 -0.902 2.182 1.00 0.00 H new ATOM 117 N LEU A 9 32.016 1.849 1.965 1.00 0.00 N ATOM 118 CA LEU A 9 32.855 2.785 2.699 1.00 0.00 C ATOM 119 C LEU A 9 32.593 4.220 2.277 1.00 0.00 C ATOM 120 O LEU A 9 32.565 5.134 3.112 1.00 0.00 O ATOM 121 CB LEU A 9 34.325 2.438 2.526 1.00 0.00 C ATOM 122 CG LEU A 9 34.788 1.142 3.184 1.00 0.00 C ATOM 123 CD1 LEU A 9 36.267 0.907 2.918 1.00 0.00 C ATOM 124 CD2 LEU A 9 34.512 1.182 4.686 1.00 0.00 C ATOM 0 H LEU A 9 32.529 1.212 1.356 1.00 0.00 H new ATOM 0 HA LEU A 9 32.598 2.698 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 9 34.541 2.378 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.921 3.258 2.926 1.00 0.00 H new ATOM 0 HG LEU A 9 34.227 0.314 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 9 36.579 -0.022 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 9 36.437 0.838 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 9 36.846 1.736 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 9 34.847 0.251 5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 9 35.049 2.019 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 9 33.442 1.305 4.856 1.00 0.00 H new ATOM 136 N ARG A 10 32.391 4.398 1.000 1.00 0.00 N ATOM 137 CA ARG A 10 32.081 5.684 0.413 1.00 0.00 C ATOM 138 C ARG A 10 30.665 6.100 0.808 1.00 0.00 C ATOM 139 O ARG A 10 30.424 7.213 1.289 1.00 0.00 O ATOM 140 CB ARG A 10 32.206 5.559 -1.097 1.00 0.00 C ATOM 141 CG ARG A 10 31.775 6.765 -1.896 1.00 0.00 C ATOM 142 CD ARG A 10 31.934 6.467 -3.361 1.00 0.00 C ATOM 143 NE ARG A 10 31.428 7.530 -4.226 1.00 0.00 N ATOM 144 CZ ARG A 10 31.109 7.360 -5.514 1.00 0.00 C ATOM 145 NH1 ARG A 10 31.019 6.131 -6.033 1.00 0.00 N ATOM 146 NH2 ARG A 10 30.803 8.403 -6.260 1.00 0.00 N ATOM 0 H ARG A 10 32.437 3.640 0.319 1.00 0.00 H new ATOM 0 HA ARG A 10 32.770 6.448 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 10 33.246 5.339 -1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 10 31.615 4.702 -1.421 1.00 0.00 H new ATOM 0 HG2 ARG A 10 30.737 7.012 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 10 32.375 7.632 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 10 32.989 6.303 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 10 31.412 5.539 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 10 31.311 8.460 -3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 10 31.194 5.315 -5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 10 30.775 6.009 -7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 10 30.810 9.339 -5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 10 30.560 8.274 -7.242 1.00 0.00 H new ATOM 160 N ARG A 11 29.748 5.175 0.649 1.00 0.00 N ATOM 161 CA ARG A 11 28.350 5.386 0.979 1.00 0.00 C ATOM 162 C ARG A 11 28.131 5.602 2.457 1.00 0.00 C ATOM 163 O ARG A 11 27.218 6.297 2.839 1.00 0.00 O ATOM 164 CB ARG A 11 27.523 4.233 0.473 1.00 0.00 C ATOM 165 CG ARG A 11 27.238 4.312 -1.007 1.00 0.00 C ATOM 166 CD ARG A 11 27.048 2.943 -1.602 1.00 0.00 C ATOM 167 NE ARG A 11 26.130 2.107 -0.845 1.00 0.00 N ATOM 168 CZ ARG A 11 26.016 0.791 -1.020 1.00 0.00 C ATOM 169 NH1 ARG A 11 26.638 0.201 -2.041 1.00 0.00 N ATOM 170 NH2 ARG A 11 25.267 0.079 -0.200 1.00 0.00 N ATOM 0 H ARG A 11 29.949 4.244 0.284 1.00 0.00 H new ATOM 0 HA ARG A 11 28.029 6.302 0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 11 28.043 3.299 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 11 26.579 4.204 1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 11 26.343 4.911 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 11 28.061 4.819 -1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 11 26.677 3.046 -2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 11 28.015 2.444 -1.664 1.00 0.00 H new ATOM 0 HE ARG A 11 25.541 2.552 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 11 27.200 0.757 -2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 11 26.552 -0.806 -2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 11 24.775 0.536 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 11 25.180 -0.928 -0.334 1.00 0.00 H new ATOM 184 N GLN A 12 28.978 5.018 3.277 1.00 0.00 N ATOM 185 CA GLN A 12 28.895 5.186 4.710 1.00 0.00 C ATOM 186 C GLN A 12 29.069 6.652 5.064 1.00 0.00 C ATOM 187 O GLN A 12 28.256 7.206 5.770 1.00 0.00 O ATOM 188 CB GLN A 12 29.912 4.292 5.428 1.00 0.00 C ATOM 189 CG GLN A 12 29.812 4.314 6.940 1.00 0.00 C ATOM 190 CD GLN A 12 30.655 3.240 7.586 1.00 0.00 C ATOM 191 OE1 GLN A 12 30.185 2.119 7.811 1.00 0.00 O ATOM 192 NE2 GLN A 12 31.873 3.556 7.904 1.00 0.00 N ATOM 0 H GLN A 12 29.741 4.415 2.969 1.00 0.00 H new ATOM 0 HA GLN A 12 27.909 4.872 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 12 29.782 3.266 5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.916 4.601 5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 12 30.127 5.290 7.309 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.771 4.182 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 12 32.226 4.491 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 12 32.477 2.869 8.355 1.00 0.00 H new ATOM 201 N ARG A 13 30.081 7.294 4.484 1.00 0.00 N ATOM 202 CA ARG A 13 30.306 8.745 4.705 1.00 0.00 C ATOM 203 C ARG A 13 29.087 9.564 4.310 1.00 0.00 C ATOM 204 O ARG A 13 28.765 10.566 4.944 1.00 0.00 O ATOM 205 CB ARG A 13 31.531 9.278 3.940 1.00 0.00 C ATOM 206 CG ARG A 13 32.871 9.096 4.634 1.00 0.00 C ATOM 207 CD ARG A 13 33.203 7.650 4.879 1.00 0.00 C ATOM 208 NE ARG A 13 34.427 7.499 5.646 1.00 0.00 N ATOM 209 CZ ARG A 13 35.239 6.451 5.586 1.00 0.00 C ATOM 210 NH1 ARG A 13 34.972 5.442 4.755 1.00 0.00 N ATOM 211 NH2 ARG A 13 36.319 6.405 6.355 1.00 0.00 N ATOM 0 H ARG A 13 30.758 6.851 3.863 1.00 0.00 H new ATOM 0 HA ARG A 13 30.492 8.854 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 13 31.575 8.783 2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 13 31.383 10.341 3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 13 33.655 9.547 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 13 32.859 9.628 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 13 32.380 7.173 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 13 33.307 7.134 3.924 1.00 0.00 H new ATOM 0 HE ARG A 13 34.682 8.257 6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.142 5.475 4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.598 4.638 4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 13 36.525 7.175 6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.944 5.600 6.309 1.00 0.00 H new ATOM 225 N LEU A 14 28.434 9.127 3.263 1.00 0.00 N ATOM 226 CA LEU A 14 27.259 9.776 2.730 1.00 0.00 C ATOM 227 C LEU A 14 26.053 9.545 3.663 1.00 0.00 C ATOM 228 O LEU A 14 25.353 10.490 4.038 1.00 0.00 O ATOM 229 CB LEU A 14 27.003 9.200 1.311 1.00 0.00 C ATOM 230 CG LEU A 14 26.002 9.905 0.365 1.00 0.00 C ATOM 231 CD1 LEU A 14 26.093 9.270 -1.003 1.00 0.00 C ATOM 232 CD2 LEU A 14 24.562 9.808 0.853 1.00 0.00 C ATOM 0 H LEU A 14 28.709 8.292 2.745 1.00 0.00 H new ATOM 0 HA LEU A 14 27.407 10.854 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 14 27.964 9.161 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 14 26.665 8.171 1.434 1.00 0.00 H new ATOM 0 HG LEU A 14 26.270 10.961 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 14 25.391 9.759 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 14 27.106 9.381 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 14 25.847 8.211 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.904 10.320 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 14 24.272 8.760 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 14 24.478 10.275 1.834 1.00 0.00 H new ATOM 656 N ILE A 43 1.797 -1.691 -1.141 1.00 0.00 N ATOM 657 CA ILE A 43 1.197 -2.996 -0.928 1.00 0.00 C ATOM 658 C ILE A 43 0.070 -3.241 -1.928 1.00 0.00 C ATOM 659 O ILE A 43 -0.017 -4.306 -2.509 1.00 0.00 O ATOM 660 CB ILE A 43 0.729 -3.263 0.544 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.373 -2.280 1.001 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.927 -3.223 1.490 1.00 0.00 C ATOM 663 CD1 ILE A 43 -0.871 -2.510 2.415 1.00 0.00 C ATOM 0 HA ILE A 43 1.992 -3.720 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 43 0.286 -4.259 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.010 -1.263 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.217 -2.355 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.591 -3.410 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.646 -3.989 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.400 -2.242 1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.642 -1.777 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.288 -3.514 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.042 -2.405 3.114 1.00 0.00 H new ATOM 675 N LEU A 44 -0.722 -2.218 -2.201 1.00 0.00 N ATOM 676 CA LEU A 44 -1.810 -2.339 -3.158 1.00 0.00 C ATOM 677 C LEU A 44 -1.285 -2.547 -4.577 1.00 0.00 C ATOM 678 O LEU A 44 -1.848 -3.309 -5.333 1.00 0.00 O ATOM 679 CB LEU A 44 -2.742 -1.123 -3.113 1.00 0.00 C ATOM 680 CG LEU A 44 -3.494 -0.881 -1.796 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.360 0.363 -1.898 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.340 -2.084 -1.416 1.00 0.00 C ATOM 0 H LEU A 44 -0.633 -1.296 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.385 -3.219 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.153 -0.234 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.477 -1.228 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.753 -0.729 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.885 0.519 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.731 1.228 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.086 0.236 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.860 -1.882 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.070 -2.278 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.698 -2.956 -1.294 1.00 0.00 H new ATOM 694 N ALA A 45 -0.187 -1.901 -4.913 1.00 0.00 N ATOM 695 CA ALA A 45 0.386 -2.005 -6.249 1.00 0.00 C ATOM 696 C ALA A 45 1.078 -3.350 -6.468 1.00 0.00 C ATOM 697 O ALA A 45 1.278 -3.787 -7.613 1.00 0.00 O ATOM 698 CB ALA A 45 1.349 -0.861 -6.504 1.00 0.00 C ATOM 0 H ALA A 45 0.332 -1.294 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.434 -1.941 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.768 -0.954 -7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.818 0.087 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.154 -0.893 -5.770 1.00 0.00 H new ATOM 704 N GLN A 46 1.455 -3.997 -5.392 1.00 0.00 N ATOM 705 CA GLN A 46 2.117 -5.287 -5.481 1.00 0.00 C ATOM 706 C GLN A 46 1.119 -6.427 -5.366 1.00 0.00 C ATOM 707 O GLN A 46 1.329 -7.508 -5.919 1.00 0.00 O ATOM 708 CB GLN A 46 3.189 -5.420 -4.412 1.00 0.00 C ATOM 709 CG GLN A 46 4.267 -4.364 -4.506 1.00 0.00 C ATOM 710 CD GLN A 46 5.374 -4.563 -3.494 1.00 0.00 C ATOM 711 OE1 GLN A 46 5.156 -5.096 -2.406 1.00 0.00 O ATOM 712 NE2 GLN A 46 6.557 -4.136 -3.830 1.00 0.00 N ATOM 0 H GLN A 46 1.317 -3.655 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 46 2.592 -5.346 -6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.720 -5.363 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.649 -6.405 -4.490 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.692 -4.374 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.820 -3.381 -4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.702 -3.699 -4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.339 -4.239 -3.183 1.00 0.00 H new ATOM 721 N VAL A 47 0.056 -6.184 -4.641 1.00 0.00 N ATOM 722 CA VAL A 47 -1.000 -7.164 -4.431 1.00 0.00 C ATOM 723 C VAL A 47 -2.003 -7.131 -5.553 1.00 0.00 C ATOM 724 O VAL A 47 -2.363 -8.165 -6.106 1.00 0.00 O ATOM 725 CB VAL A 47 -1.686 -6.910 -3.064 1.00 0.00 C ATOM 726 CG1 VAL A 47 -3.013 -7.639 -2.928 1.00 0.00 C ATOM 727 CG2 VAL A 47 -0.735 -7.267 -1.926 1.00 0.00 C ATOM 0 H VAL A 47 -0.110 -5.294 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.556 -8.159 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.920 -5.847 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.448 -7.424 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.694 -7.304 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.850 -8.712 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.227 -7.085 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.460 -8.319 -1.998 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.162 -6.652 -1.995 1.00 0.00 H new ATOM 737 N LEU A 48 -2.409 -5.974 -5.920 1.00 0.00 N ATOM 738 CA LEU A 48 -3.293 -5.829 -7.014 1.00 0.00 C ATOM 739 C LEU A 48 -2.436 -5.619 -8.203 1.00 0.00 C ATOM 740 O LEU A 48 -1.507 -4.796 -8.169 1.00 0.00 O ATOM 741 CB LEU A 48 -4.200 -4.612 -6.834 1.00 0.00 C ATOM 742 CG LEU A 48 -5.160 -4.616 -5.645 1.00 0.00 C ATOM 743 CD1 LEU A 48 -5.827 -3.258 -5.506 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.212 -5.676 -5.835 1.00 0.00 C ATOM 0 H LEU A 48 -2.138 -5.099 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.934 -6.706 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.566 -3.729 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.791 -4.496 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.592 -4.830 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.509 -3.273 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.066 -2.493 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.385 -3.032 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.891 -5.671 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.773 -5.473 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.734 -6.653 -5.913 1.00 0.00 H new ATOM 756 N ASP A 49 -2.651 -6.356 -9.227 1.00 0.00 N ATOM 757 CA ASP A 49 -1.879 -6.105 -10.406 1.00 0.00 C ATOM 758 C ASP A 49 -2.485 -4.914 -11.172 1.00 0.00 C ATOM 759 O ASP A 49 -3.476 -4.324 -10.715 1.00 0.00 O ATOM 760 CB ASP A 49 -1.710 -7.350 -11.275 1.00 0.00 C ATOM 761 CG ASP A 49 -0.550 -7.190 -12.221 1.00 0.00 C ATOM 762 OD1 ASP A 49 0.617 -7.160 -11.750 1.00 0.00 O ATOM 763 OD2 ASP A 49 -0.782 -7.004 -13.420 1.00 0.00 O ATOM 0 H ASP A 49 -3.329 -7.116 -9.285 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.866 -5.837 -10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.550 -8.222 -10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.624 -7.531 -11.841 1.00 0.00 H new ATOM 768 N GLN A 50 -1.913 -4.573 -12.308 1.00 0.00 N ATOM 769 CA GLN A 50 -2.296 -3.393 -13.087 1.00 0.00 C ATOM 770 C GLN A 50 -3.768 -3.396 -13.445 1.00 0.00 C ATOM 771 O GLN A 50 -4.448 -2.367 -13.363 1.00 0.00 O ATOM 772 CB GLN A 50 -1.489 -3.338 -14.359 1.00 0.00 C ATOM 773 CG GLN A 50 -0.005 -3.095 -14.169 1.00 0.00 C ATOM 774 CD GLN A 50 0.750 -3.042 -15.488 1.00 0.00 C ATOM 775 OE1 GLN A 50 0.093 -2.596 -16.536 1.00 0.00 O flip ATOM 776 NE2 GLN A 50 1.931 -3.391 -15.561 1.00 0.00 N flip ATOM 0 H GLN A 50 -1.156 -5.110 -12.731 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.098 -2.520 -12.466 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.622 -4.277 -14.896 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.892 -2.548 -14.993 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.141 -2.157 -13.633 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.413 -3.886 -13.547 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.414 -3.733 -14.730 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.424 -3.338 -16.452 1.00 0.00 H new ATOM 785 N SER A 51 -4.248 -4.561 -13.767 1.00 0.00 N ATOM 786 CA SER A 51 -5.601 -4.778 -14.195 1.00 0.00 C ATOM 787 C SER A 51 -6.569 -4.470 -13.062 1.00 0.00 C ATOM 788 O SER A 51 -7.589 -3.795 -13.246 1.00 0.00 O ATOM 789 CB SER A 51 -5.699 -6.230 -14.626 1.00 0.00 C ATOM 790 OG SER A 51 -5.023 -7.063 -13.673 1.00 0.00 O ATOM 0 H SER A 51 -3.691 -5.415 -13.738 1.00 0.00 H new ATOM 0 HA SER A 51 -5.865 -4.120 -15.023 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.745 -6.526 -14.705 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.256 -6.357 -15.614 1.00 0.00 H new ATOM 0 HG SER A 51 -5.089 -8.000 -13.953 1.00 0.00 H new ATOM 796 N ALA A 52 -6.202 -4.919 -11.884 1.00 0.00 N ATOM 797 CA ALA A 52 -6.992 -4.718 -10.711 1.00 0.00 C ATOM 798 C ALA A 52 -6.999 -3.245 -10.319 1.00 0.00 C ATOM 799 O ALA A 52 -8.029 -2.726 -9.922 1.00 0.00 O ATOM 800 CB ALA A 52 -6.494 -5.597 -9.588 1.00 0.00 C ATOM 0 H ALA A 52 -5.339 -5.437 -11.721 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.023 -5.004 -10.922 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.105 -5.434 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.561 -6.643 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.456 -5.349 -9.365 1.00 0.00 H new ATOM 806 N ARG A 53 -5.854 -2.555 -10.467 1.00 0.00 N ATOM 807 CA ARG A 53 -5.826 -1.109 -10.194 1.00 0.00 C ATOM 808 C ARG A 53 -6.717 -0.349 -11.146 1.00 0.00 C ATOM 809 O ARG A 53 -7.451 0.522 -10.729 1.00 0.00 O ATOM 810 CB ARG A 53 -4.423 -0.474 -10.185 1.00 0.00 C ATOM 811 CG ARG A 53 -3.758 -0.419 -8.811 1.00 0.00 C ATOM 812 CD ARG A 53 -3.239 -1.761 -8.348 1.00 0.00 C ATOM 813 NE ARG A 53 -1.913 -2.242 -8.924 1.00 0.00 N ATOM 814 CZ ARG A 53 -0.986 -1.627 -9.754 1.00 0.00 C ATOM 815 NH1 ARG A 53 -1.195 -0.448 -10.325 1.00 0.00 N ATOM 816 NH2 ARG A 53 0.164 -2.255 -10.012 1.00 0.00 N ATOM 0 H ARG A 53 -4.965 -2.958 -10.764 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.205 -1.025 -9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.780 -1.036 -10.863 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.495 0.539 -10.580 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.932 0.292 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.475 -0.043 -8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.141 -1.727 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.996 -2.511 -8.577 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.660 -3.191 -8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.070 0.050 -10.162 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.480 -0.039 -10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.348 -3.170 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.858 -1.819 -10.620 1.00 0.00 H new ATOM 830 N ALA A 54 -6.670 -0.706 -12.418 1.00 0.00 N ATOM 831 CA ALA A 54 -7.498 -0.058 -13.430 1.00 0.00 C ATOM 832 C ALA A 54 -8.984 -0.253 -13.118 1.00 0.00 C ATOM 833 O ALA A 54 -9.799 0.669 -13.261 1.00 0.00 O ATOM 834 CB ALA A 54 -7.164 -0.602 -14.807 1.00 0.00 C ATOM 0 H ALA A 54 -6.066 -1.444 -12.779 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.287 1.011 -13.419 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.788 -0.111 -15.553 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.114 -0.410 -15.029 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.349 -1.676 -14.829 1.00 0.00 H new ATOM 840 N ARG A 55 -9.325 -1.441 -12.653 1.00 0.00 N ATOM 841 CA ARG A 55 -10.683 -1.752 -12.301 1.00 0.00 C ATOM 842 C ARG A 55 -11.076 -0.994 -11.026 1.00 0.00 C ATOM 843 O ARG A 55 -12.195 -0.502 -10.905 1.00 0.00 O ATOM 844 CB ARG A 55 -10.834 -3.256 -12.113 1.00 0.00 C ATOM 845 CG ARG A 55 -12.248 -3.762 -12.320 1.00 0.00 C ATOM 846 CD ARG A 55 -12.715 -3.476 -13.753 1.00 0.00 C ATOM 847 NE ARG A 55 -11.778 -4.025 -14.751 1.00 0.00 N ATOM 848 CZ ARG A 55 -11.298 -3.380 -15.827 1.00 0.00 C ATOM 849 NH1 ARG A 55 -11.760 -2.180 -16.166 1.00 0.00 N ATOM 850 NH2 ARG A 55 -10.383 -3.974 -16.573 1.00 0.00 N ATOM 0 H ARG A 55 -8.667 -2.208 -12.512 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.350 -1.439 -13.104 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.170 -3.768 -12.809 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.507 -3.521 -11.108 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.290 -4.833 -12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.920 -3.282 -11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.704 -3.907 -13.906 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.811 -2.400 -13.897 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.465 -4.986 -14.611 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.489 -1.737 -15.606 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.386 -1.702 -16.986 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.053 -4.907 -16.328 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.007 -3.499 -17.394 1.00 0.00 H new ATOM 864 N LEU A 56 -10.129 -0.883 -10.105 1.00 0.00 N ATOM 865 CA LEU A 56 -10.316 -0.160 -8.852 1.00 0.00 C ATOM 866 C LEU A 56 -10.560 1.328 -9.136 1.00 0.00 C ATOM 867 O LEU A 56 -11.410 1.958 -8.506 1.00 0.00 O ATOM 868 CB LEU A 56 -9.078 -0.331 -7.958 1.00 0.00 C ATOM 869 CG LEU A 56 -9.156 0.270 -6.553 1.00 0.00 C ATOM 870 CD1 LEU A 56 -10.218 -0.435 -5.725 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.803 0.196 -5.868 1.00 0.00 C ATOM 0 H LEU A 56 -9.201 -1.295 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.184 -0.567 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.873 -1.397 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.224 0.112 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.438 1.319 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.257 0.008 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.189 -0.326 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.971 -1.493 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.876 0.628 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.491 -0.845 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.069 0.753 -6.451 1.00 0.00 H new ATOM 883 N SER A 57 -9.821 1.869 -10.098 1.00 0.00 N ATOM 884 CA SER A 57 -9.968 3.245 -10.520 1.00 0.00 C ATOM 885 C SER A 57 -11.388 3.500 -11.058 1.00 0.00 C ATOM 886 O SER A 57 -12.058 4.464 -10.660 1.00 0.00 O ATOM 887 CB SER A 57 -8.918 3.560 -11.587 1.00 0.00 C ATOM 888 OG SER A 57 -7.598 3.337 -11.088 1.00 0.00 O ATOM 0 H SER A 57 -9.100 1.357 -10.606 1.00 0.00 H new ATOM 0 HA SER A 57 -9.816 3.902 -9.664 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.089 2.937 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.019 4.597 -11.907 1.00 0.00 H new ATOM 0 HG SER A 57 -7.459 2.377 -10.949 1.00 0.00 H new ATOM 894 N ASN A 58 -11.856 2.611 -11.925 1.00 0.00 N ATOM 895 CA ASN A 58 -13.211 2.727 -12.492 1.00 0.00 C ATOM 896 C ASN A 58 -14.265 2.520 -11.396 1.00 0.00 C ATOM 897 O ASN A 58 -15.350 3.092 -11.435 1.00 0.00 O ATOM 898 CB ASN A 58 -13.423 1.719 -13.639 1.00 0.00 C ATOM 899 CG ASN A 58 -14.763 1.901 -14.372 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.299 3.007 -14.472 1.00 0.00 O ATOM 901 ND2 ASN A 58 -15.298 0.841 -14.913 1.00 0.00 N ATOM 0 H ASN A 58 -11.328 1.803 -12.255 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.321 3.731 -12.903 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.608 1.819 -14.356 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.371 0.707 -13.238 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.174 0.919 -15.429 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.840 -0.066 -14.820 1.00 0.00 H new ATOM 908 N LEU A 59 -13.916 1.732 -10.393 1.00 0.00 N ATOM 909 CA LEU A 59 -14.808 1.471 -9.273 1.00 0.00 C ATOM 910 C LEU A 59 -14.935 2.753 -8.441 1.00 0.00 C ATOM 911 O LEU A 59 -16.022 3.120 -7.995 1.00 0.00 O ATOM 912 CB LEU A 59 -14.256 0.302 -8.421 1.00 0.00 C ATOM 913 CG LEU A 59 -15.268 -0.535 -7.592 1.00 0.00 C ATOM 914 CD1 LEU A 59 -15.900 0.254 -6.453 1.00 0.00 C ATOM 915 CD2 LEU A 59 -16.344 -1.105 -8.502 1.00 0.00 C ATOM 0 H LEU A 59 -13.015 1.258 -10.331 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.795 1.181 -9.633 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.728 -0.378 -9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.517 0.710 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.706 -1.349 -7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -16.597 -0.385 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.121 0.599 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.435 1.113 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.048 -1.690 -7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.874 -0.289 -8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.883 -1.745 -9.254 1.00 0.00 H new ATOM 927 N ALA A 60 -13.820 3.443 -8.281 1.00 0.00 N ATOM 928 CA ALA A 60 -13.782 4.716 -7.561 1.00 0.00 C ATOM 929 C ALA A 60 -14.570 5.778 -8.315 1.00 0.00 C ATOM 930 O ALA A 60 -15.109 6.711 -7.726 1.00 0.00 O ATOM 931 CB ALA A 60 -12.344 5.172 -7.365 1.00 0.00 C ATOM 0 H ALA A 60 -12.915 3.143 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.240 4.571 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.333 6.120 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.800 4.423 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.867 5.300 -8.337 1.00 0.00 H new ATOM 937 N LEU A 61 -14.616 5.620 -9.621 1.00 0.00 N ATOM 938 CA LEU A 61 -15.340 6.501 -10.495 1.00 0.00 C ATOM 939 C LEU A 61 -16.846 6.321 -10.294 1.00 0.00 C ATOM 940 O LEU A 61 -17.596 7.306 -10.206 1.00 0.00 O ATOM 941 CB LEU A 61 -14.904 6.225 -11.938 1.00 0.00 C ATOM 942 CG LEU A 61 -15.406 7.136 -13.092 1.00 0.00 C ATOM 943 CD1 LEU A 61 -14.557 6.892 -14.329 1.00 0.00 C ATOM 944 CD2 LEU A 61 -16.863 6.856 -13.451 1.00 0.00 C ATOM 0 H LEU A 61 -14.141 4.860 -10.108 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.116 7.542 -10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.814 6.249 -11.957 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -15.204 5.205 -12.177 1.00 0.00 H new ATOM 0 HG LEU A 61 -15.325 8.169 -12.752 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.906 7.529 -15.141 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.515 7.125 -14.107 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -14.640 5.847 -14.627 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -17.171 7.516 -14.262 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -16.967 5.818 -13.768 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -17.493 7.034 -12.580 1.00 0.00 H new ATOM 956 N VAL A 62 -17.290 5.076 -10.195 1.00 0.00 N ATOM 957 CA VAL A 62 -18.705 4.804 -10.034 1.00 0.00 C ATOM 958 C VAL A 62 -19.204 5.059 -8.601 1.00 0.00 C ATOM 959 O VAL A 62 -20.174 5.816 -8.405 1.00 0.00 O ATOM 960 CB VAL A 62 -19.147 3.405 -10.581 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.909 3.336 -12.074 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.420 2.261 -9.900 1.00 0.00 C ATOM 0 H VAL A 62 -16.695 4.248 -10.223 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.204 5.534 -10.671 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.210 3.297 -10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.219 2.360 -12.447 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.487 4.115 -12.571 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.849 3.484 -12.281 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.763 1.313 -10.315 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.347 2.362 -10.064 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.627 2.284 -8.830 1.00 0.00 H new ATOM 972 N LYS A 63 -18.539 4.481 -7.609 1.00 0.00 N ATOM 973 CA LYS A 63 -18.914 4.673 -6.224 1.00 0.00 C ATOM 974 C LYS A 63 -17.726 4.447 -5.284 1.00 0.00 C ATOM 975 O LYS A 63 -17.430 3.306 -4.880 1.00 0.00 O ATOM 976 CB LYS A 63 -20.154 3.833 -5.835 1.00 0.00 C ATOM 977 CG LYS A 63 -20.072 2.341 -6.122 1.00 0.00 C ATOM 978 CD LYS A 63 -21.427 1.623 -5.954 1.00 0.00 C ATOM 979 CE LYS A 63 -21.981 1.593 -4.515 1.00 0.00 C ATOM 980 NZ LYS A 63 -22.437 2.911 -3.987 1.00 0.00 N ATOM 0 H LYS A 63 -17.732 3.872 -7.745 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.210 5.716 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -20.338 3.967 -4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -21.019 4.236 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.711 2.191 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.340 1.887 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -22.160 2.109 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.323 0.597 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -22.817 0.895 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.209 1.201 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.263 2.771 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -21.669 3.351 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.698 3.531 -4.780 1.00 0.00 H new ATOM 994 N PRO A 64 -17.020 5.541 -4.923 1.00 0.00 N ATOM 995 CA PRO A 64 -15.815 5.478 -4.095 1.00 0.00 C ATOM 996 C PRO A 64 -16.053 4.912 -2.691 1.00 0.00 C ATOM 997 O PRO A 64 -15.102 4.502 -2.031 1.00 0.00 O ATOM 998 CB PRO A 64 -15.324 6.932 -4.021 1.00 0.00 C ATOM 999 CG PRO A 64 -16.506 7.763 -4.373 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.334 6.938 -5.315 1.00 0.00 C ATOM 0 HA PRO A 64 -15.088 4.795 -4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.957 7.173 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.501 7.105 -4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.076 8.026 -3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.199 8.698 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.397 7.155 -5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.071 7.132 -6.355 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.317 4.878 -2.251 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.692 4.334 -0.936 1.00 0.00 C ATOM 1010 C GLU A 65 -17.162 2.924 -0.794 1.00 0.00 C ATOM 1011 O GLU A 65 -16.504 2.578 0.186 1.00 0.00 O ATOM 1012 CB GLU A 65 -19.224 4.245 -0.739 1.00 0.00 C ATOM 1013 CG GLU A 65 -20.023 5.496 -1.017 1.00 0.00 C ATOM 1014 CD GLU A 65 -20.210 5.736 -2.481 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -21.070 5.080 -3.096 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -19.497 6.571 -3.044 1.00 0.00 O ATOM 0 H GLU A 65 -18.108 5.225 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.269 5.015 -0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.603 3.451 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -19.417 3.941 0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -20.998 5.416 -0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.518 6.353 -0.572 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.424 2.122 -1.803 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.050 0.734 -1.752 1.00 0.00 C ATOM 1025 C LYS A 66 -15.591 0.561 -2.040 1.00 0.00 C ATOM 1026 O LYS A 66 -14.975 -0.392 -1.565 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.934 -0.145 -2.634 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.428 0.108 -2.431 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.855 0.145 -0.953 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.489 -1.112 -0.189 1.00 0.00 C ATOM 1031 NZ LYS A 66 -19.982 -1.082 1.207 1.00 0.00 N ATOM 0 H LYS A 66 -17.892 2.409 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.222 0.388 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.681 0.030 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.718 -1.193 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.694 1.055 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.992 -0.671 -2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.389 1.004 -0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.933 0.294 -0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.905 -1.980 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.406 -1.232 -0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.939 -2.039 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.388 -0.441 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.966 -0.744 1.221 1.00 0.00 H new ATOM 1045 N THR A 67 -15.041 1.478 -2.830 1.00 0.00 N ATOM 1046 CA THR A 67 -13.626 1.509 -3.106 1.00 0.00 C ATOM 1047 C THR A 67 -12.871 1.590 -1.775 1.00 0.00 C ATOM 1048 O THR A 67 -11.974 0.815 -1.529 1.00 0.00 O ATOM 1049 CB THR A 67 -13.288 2.744 -3.938 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.252 2.862 -4.988 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.901 2.628 -4.547 1.00 0.00 C ATOM 0 H THR A 67 -15.572 2.216 -3.292 1.00 0.00 H new ATOM 0 HA THR A 67 -13.341 0.612 -3.656 1.00 0.00 H new ATOM 0 HB THR A 67 -13.307 3.622 -3.292 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.872 2.515 -5.822 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.686 3.521 -5.134 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.162 2.530 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.859 1.750 -5.192 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.332 2.485 -0.901 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.749 2.689 0.425 1.00 0.00 C ATOM 1061 C LYS A 68 -12.745 1.396 1.231 1.00 0.00 C ATOM 1062 O LYS A 68 -11.782 1.103 1.948 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.542 3.752 1.186 1.00 0.00 C ATOM 1064 CG LYS A 68 -13.536 5.116 0.523 1.00 0.00 C ATOM 1065 CD LYS A 68 -14.508 6.083 1.195 1.00 0.00 C ATOM 1066 CE LYS A 68 -14.112 6.412 2.625 1.00 0.00 C ATOM 1067 NZ LYS A 68 -12.802 7.097 2.687 1.00 0.00 N ATOM 0 H LYS A 68 -14.127 3.094 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.719 3.019 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.573 3.415 1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.132 3.846 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.529 5.532 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.800 5.009 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.557 7.004 0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.508 5.649 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.875 7.045 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.071 5.494 3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.665 7.499 3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.043 6.414 2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.775 7.860 1.981 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.818 0.627 1.115 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.937 -0.608 1.827 1.00 0.00 C ATOM 1083 C ALA A 69 -12.986 -1.658 1.260 1.00 0.00 C ATOM 1084 O ALA A 69 -12.275 -2.321 2.006 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.375 -1.084 1.813 1.00 0.00 C ATOM 0 H ALA A 69 -14.619 0.852 0.525 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.650 -0.444 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.452 -2.025 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -16.010 -0.336 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.699 -1.234 0.783 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.941 -1.778 -0.067 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.075 -2.772 -0.686 1.00 0.00 C ATOM 1093 C VAL A 70 -10.592 -2.398 -0.592 1.00 0.00 C ATOM 1094 O VAL A 70 -9.759 -3.271 -0.407 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.482 -3.173 -2.139 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.863 -3.808 -2.147 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.442 -1.992 -3.091 1.00 0.00 C ATOM 0 H VAL A 70 -13.483 -1.211 -0.719 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.226 -3.672 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.750 -3.900 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.132 -4.082 -3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.857 -4.701 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.592 -3.098 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.733 -2.319 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -13.133 -1.223 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.432 -1.584 -3.123 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.269 -1.099 -0.681 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.887 -0.636 -0.502 1.00 0.00 C ATOM 1109 C GLU A 71 -8.415 -1.037 0.885 1.00 0.00 C ATOM 1110 O GLU A 71 -7.342 -1.625 1.046 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.759 0.900 -0.676 1.00 0.00 C ATOM 1112 CG GLU A 71 -9.017 1.417 -2.089 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.908 2.934 -2.189 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -9.844 3.650 -1.761 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.873 3.448 -2.689 1.00 0.00 O ATOM 0 H GLU A 71 -10.941 -0.356 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.268 -1.100 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.458 1.386 0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.756 1.202 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.304 0.960 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.011 1.106 -2.409 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.261 -0.760 1.877 1.00 0.00 N ATOM 1123 CA ASN A 72 -9.007 -1.116 3.252 1.00 0.00 C ATOM 1124 C ASN A 72 -8.870 -2.624 3.397 1.00 0.00 C ATOM 1125 O ASN A 72 -7.968 -3.108 4.074 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.157 -0.634 4.128 1.00 0.00 C ATOM 1127 CG ASN A 72 -9.892 -0.831 5.594 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -10.217 -1.871 6.187 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -9.306 0.151 6.188 1.00 0.00 N ATOM 0 H ASN A 72 -10.148 -0.277 1.736 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.077 -0.642 3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.337 0.423 3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.067 -1.168 3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.092 0.091 7.184 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.056 0.989 5.663 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.764 -3.356 2.742 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.779 -4.800 2.810 1.00 0.00 C ATOM 1138 C TYR A 73 -8.485 -5.399 2.257 1.00 0.00 C ATOM 1139 O TYR A 73 -7.898 -6.301 2.864 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.981 -5.383 2.070 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.127 -6.863 2.303 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.729 -7.327 3.455 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.655 -7.793 1.387 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -11.857 -8.667 3.698 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.780 -9.141 1.623 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.383 -9.571 2.777 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.524 -10.915 3.016 1.00 0.00 O ATOM 0 H TYR A 73 -10.495 -2.959 2.152 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.861 -5.066 3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.888 -4.874 2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.875 -5.193 1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.106 -6.619 4.178 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.183 -7.453 0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.327 -9.012 4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.406 -9.856 0.905 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.139 -11.422 2.271 1.00 0.00 H new ATOM 1157 N LEU A 74 -8.045 -4.898 1.116 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.805 -5.358 0.513 1.00 0.00 C ATOM 1159 C LEU A 74 -5.607 -5.072 1.397 1.00 0.00 C ATOM 1160 O LEU A 74 -4.703 -5.885 1.474 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.591 -4.842 -0.918 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.232 -5.653 -2.075 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.684 -7.068 -2.113 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.747 -5.684 -1.993 1.00 0.00 C ATOM 0 H LEU A 74 -8.528 -4.172 0.587 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.903 -6.440 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.974 -3.823 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.518 -4.788 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.965 -5.140 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.149 -7.616 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.605 -7.036 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.904 -7.569 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.145 -6.264 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.051 -6.144 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -9.135 -4.667 -2.042 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.614 -3.925 2.072 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.561 -3.588 3.040 1.00 0.00 C ATOM 1178 C ILE A 75 -4.497 -4.673 4.139 1.00 0.00 C ATOM 1179 O ILE A 75 -3.412 -5.108 4.540 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.811 -2.184 3.690 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.707 -1.078 2.623 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.841 -1.915 4.851 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -5.007 0.316 3.136 1.00 0.00 C ATOM 0 H ILE A 75 -6.335 -3.210 1.970 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.610 -3.548 2.508 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.820 -2.181 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.701 -1.089 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.395 -1.309 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.046 -0.932 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.973 -2.677 5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.816 -1.945 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.911 1.032 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.023 0.348 3.529 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.303 0.571 3.928 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.670 -5.141 4.573 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.758 -6.179 5.600 1.00 0.00 C ATOM 1197 C GLN A 76 -5.186 -7.465 5.058 1.00 0.00 C ATOM 1198 O GLN A 76 -4.328 -8.083 5.671 1.00 0.00 O ATOM 1199 CB GLN A 76 -7.211 -6.452 6.012 1.00 0.00 C ATOM 1200 CG GLN A 76 -8.031 -5.225 6.318 1.00 0.00 C ATOM 1201 CD GLN A 76 -7.421 -4.330 7.367 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -6.721 -4.787 8.269 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -7.679 -3.057 7.252 1.00 0.00 N ATOM 0 H GLN A 76 -6.573 -4.816 4.228 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.202 -5.827 6.469 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.701 -7.007 5.212 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.208 -7.096 6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.167 -4.653 5.400 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.022 -5.535 6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.265 -2.722 6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.295 -2.396 7.927 1.00 0.00 H new ATOM 1212 N MET A 77 -5.651 -7.832 3.879 1.00 0.00 N ATOM 1213 CA MET A 77 -5.252 -9.061 3.214 1.00 0.00 C ATOM 1214 C MET A 77 -3.740 -9.054 2.934 1.00 0.00 C ATOM 1215 O MET A 77 -3.056 -10.073 3.095 1.00 0.00 O ATOM 1216 CB MET A 77 -6.082 -9.221 1.930 1.00 0.00 C ATOM 1217 CG MET A 77 -5.898 -10.528 1.182 1.00 0.00 C ATOM 1218 SD MET A 77 -7.065 -10.672 -0.192 1.00 0.00 S ATOM 1219 CE MET A 77 -6.597 -12.249 -0.898 1.00 0.00 C ATOM 0 H MET A 77 -6.325 -7.279 3.349 1.00 0.00 H new ATOM 0 HA MET A 77 -5.446 -9.919 3.858 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.136 -9.116 2.186 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.835 -8.401 1.256 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.878 -10.592 0.803 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.036 -11.364 1.868 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.234 -12.467 -1.755 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.556 -12.209 -1.220 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.715 -13.032 -0.149 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.222 -7.889 2.569 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.795 -7.699 2.342 1.00 0.00 C ATOM 1231 C ALA A 78 -1.014 -7.830 3.641 1.00 0.00 C ATOM 1232 O ALA A 78 0.122 -8.318 3.650 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.527 -6.349 1.699 1.00 0.00 C ATOM 0 H ALA A 78 -3.780 -7.048 2.422 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.459 -8.480 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.456 -6.229 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.046 -6.292 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.887 -5.556 2.354 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.826 -12.252 -7.615 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.541 -11.011 -7.755 1.00 0.00 C ATOM 1355 C LYS A 86 -3.019 -11.261 -7.610 1.00 0.00 C ATOM 1356 O LYS A 86 -3.523 -12.310 -8.043 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.306 -10.445 -9.158 1.00 0.00 C ATOM 1358 CG LYS A 86 0.137 -10.178 -9.505 1.00 0.00 C ATOM 1359 CD LYS A 86 0.694 -9.014 -8.727 1.00 0.00 C ATOM 1360 CE LYS A 86 2.165 -8.801 -9.024 1.00 0.00 C ATOM 1361 NZ LYS A 86 2.451 -8.647 -10.474 1.00 0.00 N ATOM 0 HA LYS A 86 -1.191 -10.316 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.716 -11.143 -9.888 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.866 -9.515 -9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.731 -11.069 -9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.223 -9.976 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.137 -8.110 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.559 -9.190 -7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.511 -7.913 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.734 -9.646 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.430 -8.322 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.325 -9.562 -10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.798 -7.949 -10.884 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.700 -10.336 -7.007 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.120 -10.380 -6.972 1.00 0.00 C ATOM 1377 C VAL A 87 -5.598 -9.877 -8.314 1.00 0.00 C ATOM 1378 O VAL A 87 -5.307 -8.735 -8.716 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.721 -9.535 -5.820 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.249 -9.523 -5.883 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.272 -10.084 -4.483 1.00 0.00 C ATOM 0 H VAL A 87 -3.286 -9.536 -6.529 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.451 -11.401 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.363 -8.512 -5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.642 -8.923 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.571 -9.095 -6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.625 -10.543 -5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.700 -9.483 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.608 -11.116 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.184 -10.049 -4.422 1.00 0.00 H new ATOM 1391 N SER A 88 -6.245 -10.740 -9.017 1.00 0.00 N ATOM 1392 CA SER A 88 -6.717 -10.475 -10.324 1.00 0.00 C ATOM 1393 C SER A 88 -8.024 -9.684 -10.264 1.00 0.00 C ATOM 1394 O SER A 88 -8.586 -9.467 -9.165 1.00 0.00 O ATOM 1395 CB SER A 88 -6.894 -11.814 -11.034 1.00 0.00 C ATOM 1396 OG SER A 88 -7.675 -12.700 -10.239 1.00 0.00 O ATOM 0 H SER A 88 -6.465 -11.679 -8.684 1.00 0.00 H new ATOM 0 HA SER A 88 -6.006 -9.864 -10.880 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.377 -11.660 -11.999 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.919 -12.258 -11.233 1.00 0.00 H new ATOM 0 HG SER A 88 -7.781 -13.554 -10.709 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.513 -9.263 -11.420 1.00 0.00 N ATOM 1403 CA GLU A 89 -9.746 -8.506 -11.504 1.00 0.00 C ATOM 1404 C GLU A 89 -10.889 -9.300 -10.931 1.00 0.00 C ATOM 1405 O GLU A 89 -11.644 -8.788 -10.116 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.059 -8.134 -12.936 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.026 -7.254 -13.585 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.362 -6.990 -15.011 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -10.358 -6.310 -15.272 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -8.673 -7.503 -15.896 1.00 0.00 O ATOM 0 H GLU A 89 -8.067 -9.437 -12.321 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.614 -7.591 -10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.162 -9.047 -13.522 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.023 -7.626 -12.965 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.957 -6.310 -13.044 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.047 -7.730 -13.521 1.00 0.00 H new ATOM 1417 N GLN A 90 -10.973 -10.572 -11.315 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.029 -11.445 -10.836 1.00 0.00 C ATOM 1419 C GLN A 90 -11.968 -11.578 -9.315 1.00 0.00 C ATOM 1420 O GLN A 90 -12.999 -11.626 -8.658 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.977 -12.836 -11.496 1.00 0.00 C ATOM 1422 CG GLN A 90 -10.725 -13.640 -11.176 1.00 0.00 C ATOM 1423 CD GLN A 90 -10.777 -15.054 -11.699 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -11.396 -15.338 -12.732 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -10.152 -15.953 -10.987 1.00 0.00 N ATOM 0 H GLN A 90 -10.318 -11.017 -11.958 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.977 -10.985 -11.116 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.850 -13.407 -11.181 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.049 -12.714 -12.577 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.858 -13.134 -11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -10.583 -13.664 -10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.653 -15.677 -10.141 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.163 -16.931 -11.277 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.752 -11.581 -8.770 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.565 -11.698 -7.344 1.00 0.00 C ATOM 1436 C GLY A 91 -11.047 -10.466 -6.632 1.00 0.00 C ATOM 1437 O GLY A 91 -11.770 -10.556 -5.641 1.00 0.00 O ATOM 0 H GLY A 91 -9.887 -11.503 -9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.104 -12.570 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.510 -11.859 -7.125 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.676 -9.312 -7.168 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.095 -8.029 -6.627 1.00 0.00 C ATOM 1443 C LEU A 92 -12.617 -7.925 -6.670 1.00 0.00 C ATOM 1444 O LEU A 92 -13.244 -7.450 -5.725 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.455 -6.875 -7.419 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.799 -5.450 -6.955 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.309 -5.200 -5.537 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.219 -4.420 -7.913 1.00 0.00 C ATOM 0 H LEU A 92 -10.076 -9.240 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.763 -7.956 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.372 -6.994 -7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.749 -6.974 -8.464 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.884 -5.350 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.567 -4.184 -5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.782 -5.910 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.227 -5.326 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.473 -3.418 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.135 -4.527 -7.950 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.633 -4.576 -8.909 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.200 -8.412 -7.755 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.637 -8.408 -7.926 1.00 0.00 C ATOM 1462 C ILE A 93 -15.313 -9.366 -6.926 1.00 0.00 C ATOM 1463 O ILE A 93 -16.359 -9.040 -6.383 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.046 -8.731 -9.395 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.470 -7.663 -10.339 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.569 -8.789 -9.539 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.648 -7.968 -11.812 1.00 0.00 C ATOM 0 H ILE A 93 -12.688 -8.819 -8.538 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.991 -7.399 -7.713 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.641 -9.708 -9.660 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -14.944 -6.707 -10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.406 -7.547 -10.130 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.828 -9.016 -10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -16.967 -9.566 -8.886 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -16.998 -7.826 -9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.213 -7.164 -12.405 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.149 -8.907 -12.052 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -15.710 -8.054 -12.040 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.686 -10.520 -6.645 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.231 -11.459 -5.650 1.00 0.00 C ATOM 1481 C GLU A 94 -15.272 -10.800 -4.288 1.00 0.00 C ATOM 1482 O GLU A 94 -16.275 -10.897 -3.566 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.416 -12.760 -5.559 1.00 0.00 C ATOM 1484 CG GLU A 94 -14.517 -13.665 -6.769 1.00 0.00 C ATOM 1485 CD GLU A 94 -15.939 -14.062 -7.072 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -16.562 -14.769 -6.269 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -16.455 -13.684 -8.133 1.00 0.00 O ATOM 0 H GLU A 94 -13.816 -10.822 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.237 -11.721 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.368 -12.504 -5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -14.744 -13.316 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.092 -13.158 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.920 -14.561 -6.600 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.196 -10.115 -3.954 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.106 -9.371 -2.719 1.00 0.00 C ATOM 1496 C ILE A 95 -15.178 -8.285 -2.698 1.00 0.00 C ATOM 1497 O ILE A 95 -15.973 -8.213 -1.763 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.696 -8.737 -2.544 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.627 -9.842 -2.437 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.658 -7.813 -1.332 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.201 -9.331 -2.354 1.00 0.00 C ATOM 0 H ILE A 95 -13.359 -10.060 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.267 -10.059 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.477 -8.131 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.835 -10.447 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.714 -10.500 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.661 -7.383 -1.233 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.387 -7.013 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.899 -8.381 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.516 -10.175 -2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.970 -8.752 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.092 -8.698 -1.473 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.225 -7.503 -3.770 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.181 -6.407 -3.946 1.00 0.00 C ATOM 1515 C LEU A 96 -17.618 -6.879 -3.711 1.00 0.00 C ATOM 1516 O LEU A 96 -18.420 -6.165 -3.114 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.059 -5.840 -5.360 1.00 0.00 C ATOM 1518 CG LEU A 96 -16.965 -4.661 -5.703 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.545 -3.405 -4.944 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -16.980 -4.423 -7.200 1.00 0.00 C ATOM 0 H LEU A 96 -14.588 -7.612 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.949 -5.635 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.025 -5.532 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.262 -6.643 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.980 -4.906 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.208 -2.581 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.606 -3.590 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.520 -3.145 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.631 -3.579 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.969 -4.205 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.351 -5.314 -7.706 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.920 -8.086 -4.175 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.236 -8.686 -3.993 1.00 0.00 C ATOM 1534 C LYS A 97 -19.596 -8.813 -2.519 1.00 0.00 C ATOM 1535 O LYS A 97 -20.691 -8.458 -2.115 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.304 -10.077 -4.631 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.206 -10.107 -6.142 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.169 -11.539 -6.630 1.00 0.00 C ATOM 1539 CE LYS A 97 -19.099 -11.631 -8.140 1.00 0.00 C ATOM 1540 NZ LYS A 97 -18.996 -13.033 -8.589 1.00 0.00 N ATOM 0 H LYS A 97 -17.262 -8.674 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 97 -19.949 -8.022 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.499 -10.686 -4.220 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.242 -10.548 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.058 -9.587 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.309 -9.580 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.306 -12.046 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.057 -12.064 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.986 -11.172 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.239 -11.067 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -19.052 -13.070 -9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.088 -13.432 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.776 -13.587 -8.180 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.689 -9.340 -1.717 1.00 0.00 N ATOM 1555 CA LYS A 98 -19.001 -9.547 -0.337 1.00 0.00 C ATOM 1556 C LYS A 98 -19.001 -8.254 0.468 1.00 0.00 C ATOM 1557 O LYS A 98 -19.670 -8.142 1.474 1.00 0.00 O ATOM 1558 CB LYS A 98 -18.251 -10.761 0.310 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.724 -10.711 0.398 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.252 -9.834 1.535 1.00 0.00 C ATOM 1561 CE LYS A 98 -14.745 -9.909 1.726 1.00 0.00 C ATOM 1562 NZ LYS A 98 -14.290 -11.254 2.153 1.00 0.00 N ATOM 0 H LYS A 98 -17.751 -9.624 -2.001 1.00 0.00 H new ATOM 0 HA LYS A 98 -20.040 -9.873 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.638 -10.889 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.522 -11.656 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.335 -11.720 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.319 -10.336 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.542 -8.801 1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.750 -10.136 2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.251 -9.642 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.440 -9.173 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.304 -11.200 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.893 -11.595 2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.353 -11.913 1.351 1.00 0.00 H new ATOM 1576 N VAL A 99 -18.284 -7.255 -0.018 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.163 -6.006 0.713 1.00 0.00 C ATOM 1578 C VAL A 99 -19.229 -4.979 0.248 1.00 0.00 C ATOM 1579 O VAL A 99 -19.396 -3.942 0.881 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.714 -5.376 0.586 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -16.485 -4.383 1.663 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -15.628 -6.420 0.656 1.00 0.00 C ATOM 0 H VAL A 99 -17.782 -7.283 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.334 -6.243 1.763 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.669 -4.895 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -15.486 -3.960 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -17.226 -3.587 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -16.575 -4.871 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -14.654 -5.939 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -15.686 -6.942 1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -15.757 -7.135 -0.157 1.00 0.00 H new ATOM 1592 N SER A 100 -19.968 -5.313 -0.826 1.00 0.00 N ATOM 1593 CA SER A 100 -20.952 -4.426 -1.477 1.00 0.00 C ATOM 1594 C SER A 100 -21.912 -3.724 -0.497 1.00 0.00 C ATOM 1595 O SER A 100 -22.170 -2.521 -0.631 1.00 0.00 O ATOM 1596 CB SER A 100 -21.725 -5.193 -2.545 1.00 0.00 C ATOM 1597 OG SER A 100 -22.449 -6.282 -1.986 1.00 0.00 O ATOM 0 H SER A 100 -19.897 -6.226 -1.275 1.00 0.00 H new ATOM 0 HA SER A 100 -20.379 -3.624 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 100 -22.415 -4.518 -3.051 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.032 -5.565 -3.300 1.00 0.00 H new ATOM 0 HG SER A 100 -21.891 -7.087 -1.999 1.00 0.00 H new