USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=22 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 96 LYS NZ :NH3+ 138:sc= 0.288 (180deg=-0.0214) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.986 K(o=-0.7,f=-6!) USER MOD Set 2.1: A 4 GLN : amide:sc= -6.4! C(o=-6.7!,f=-7.7!) USER MOD Set 2.2: A 26 TYR OH : rot 90:sc= -0.297 USER MOD Set 3.1: A 17 GLN : amide:sc= -2.41 K(o=-2.4,f=-1.4) USER MOD Set 3.2: A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.063) USER MOD Single : A 7 THR OG1 : rot -61:sc= 0.846 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.11) USER MOD Single : A 28 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 30 CYS SG : rot 31:sc= -2.85! USER MOD Single : A 33 CYS SG : rot -107:sc= 1.15 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -156:sc= -0.656 (180deg=-1.69) USER MOD Single : A 39 MET CE :methyl 178:sc= -7.22! (180deg=-7.36!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -130:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -3.76! K(o=-3.8!,f=-0.05) USER MOD Single : A 47 TYR OH : rot -108:sc= -2.62! USER MOD Single : A 49 GLN : amide:sc= -1.81 K(o=-1.8,f=-0.00023) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.2) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 1.1 (180deg=1.08) USER MOD Single : A 67 ASN : amide:sc= -7.23! C(o=-7.2!,f=-4.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -176:sc= -3.02 (180deg=-3.22) USER MOD Single : A 74 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.17) USER MOD Single : A 80 ASN : amide:sc= -3.65! C(o=-3.7!,f=-4.6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0383) USER MOD Single : A 91 ASN : amide:sc= -1.86! C(o=-1.9!,f=-2.2!) USER MOD Single : A 102 ASN : amide:sc= -10.8! C(o=-11!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.544 -3.905 9.078 1.00 0.00 N ATOM 21 CA VAL A 2 -2.449 -3.762 8.136 1.00 0.00 C ATOM 22 C VAL A 2 -1.154 -3.385 8.867 1.00 0.00 C ATOM 23 O VAL A 2 -1.161 -2.544 9.766 1.00 0.00 O ATOM 24 CB VAL A 2 -2.836 -2.713 7.073 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.654 -2.335 6.207 1.00 0.00 C ATOM 26 CG2 VAL A 2 -3.973 -3.245 6.211 1.00 0.00 C ATOM 0 HA VAL A 2 -2.264 -4.712 7.635 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.165 -1.813 7.592 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.965 -1.594 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.865 -1.917 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.280 -3.221 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.242 -2.500 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.654 -4.161 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.838 -3.456 6.840 1.00 0.00 H new ATOM 36 N THR A 3 -0.053 -4.029 8.481 1.00 0.00 N ATOM 37 CA THR A 3 1.219 -3.930 9.202 1.00 0.00 C ATOM 38 C THR A 3 1.992 -2.657 8.848 1.00 0.00 C ATOM 39 O THR A 3 1.968 -2.195 7.716 1.00 0.00 O ATOM 40 CB THR A 3 2.092 -5.165 8.899 1.00 0.00 C ATOM 41 OG1 THR A 3 1.293 -6.351 8.999 1.00 0.00 O ATOM 42 CG2 THR A 3 3.265 -5.268 9.863 1.00 0.00 C ATOM 0 H THR A 3 -0.016 -4.634 7.661 1.00 0.00 H new ATOM 0 HA THR A 3 0.984 -3.888 10.266 1.00 0.00 H new ATOM 0 HB THR A 3 2.488 -5.059 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.847 -7.136 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.859 -6.149 9.621 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.886 -4.377 9.776 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.891 -5.352 10.883 1.00 0.00 H new ATOM 50 N GLN A 4 2.679 -2.107 9.839 1.00 0.00 N ATOM 51 CA GLN A 4 3.386 -0.839 9.699 1.00 0.00 C ATOM 52 C GLN A 4 4.860 -1.043 9.321 1.00 0.00 C ATOM 53 O GLN A 4 5.537 -1.917 9.867 1.00 0.00 O ATOM 54 CB GLN A 4 3.291 -0.085 11.026 1.00 0.00 C ATOM 55 CG GLN A 4 3.896 1.311 10.991 1.00 0.00 C ATOM 56 CD GLN A 4 3.287 2.191 9.919 1.00 0.00 C ATOM 57 OE1 GLN A 4 3.957 3.045 9.348 1.00 0.00 O ATOM 58 NE2 GLN A 4 2.005 2.015 9.657 1.00 0.00 N ATOM 0 H GLN A 4 2.763 -2.527 10.765 1.00 0.00 H new ATOM 0 HA GLN A 4 2.923 -0.268 8.894 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.242 -0.008 11.314 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.792 -0.667 11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.760 1.785 11.963 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.970 1.232 10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 4 1.478 1.295 10.151 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.542 2.599 8.961 1.00 0.00 H new ATOM 67 N PHE A 5 5.339 -0.243 8.372 1.00 0.00 N ATOM 68 CA PHE A 5 6.766 -0.180 8.044 1.00 0.00 C ATOM 69 C PHE A 5 7.398 1.020 8.737 1.00 0.00 C ATOM 70 O PHE A 5 6.703 1.962 9.111 1.00 0.00 O ATOM 71 CB PHE A 5 6.987 0.000 6.541 1.00 0.00 C ATOM 72 CG PHE A 5 6.672 -1.184 5.681 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.878 -2.477 6.131 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.195 -0.992 4.397 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.610 -3.555 5.315 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.930 -2.065 3.576 1.00 0.00 C ATOM 77 CZ PHE A 5 6.137 -3.348 4.035 1.00 0.00 C ATOM 0 H PHE A 5 4.756 0.377 7.810 1.00 0.00 H new ATOM 0 HA PHE A 5 7.216 -1.117 8.374 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.380 0.840 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.029 0.274 6.378 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.252 -2.642 7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.028 0.011 4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.770 -4.560 5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.561 -1.902 2.574 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.929 -4.191 3.393 1.00 0.00 H new ATOM 87 N LYS A 6 8.709 0.989 8.913 1.00 0.00 N ATOM 88 CA LYS A 6 9.431 2.168 9.360 1.00 0.00 C ATOM 89 C LYS A 6 10.703 2.371 8.537 1.00 0.00 C ATOM 90 O LYS A 6 11.439 3.333 8.746 1.00 0.00 O ATOM 91 CB LYS A 6 9.747 2.079 10.857 1.00 0.00 C ATOM 92 CG LYS A 6 10.704 0.961 11.237 1.00 0.00 C ATOM 93 CD LYS A 6 10.761 0.753 12.744 1.00 0.00 C ATOM 94 CE LYS A 6 11.278 1.988 13.472 1.00 0.00 C ATOM 95 NZ LYS A 6 12.696 2.289 13.135 1.00 0.00 N ATOM 0 H LYS A 6 9.291 0.167 8.754 1.00 0.00 H new ATOM 0 HA LYS A 6 8.792 3.037 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.171 3.029 11.182 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.814 1.943 11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.391 0.035 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.701 1.194 10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.766 0.504 13.113 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.406 -0.097 12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.656 2.845 13.215 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.186 1.838 14.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.040 3.062 13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.278 1.441 13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.763 2.574 12.137 1.00 0.00 H new ATOM 109 N THR A 7 10.961 1.459 7.600 1.00 0.00 N ATOM 110 CA THR A 7 12.122 1.575 6.722 1.00 0.00 C ATOM 111 C THR A 7 11.766 1.199 5.285 1.00 0.00 C ATOM 112 O THR A 7 10.771 0.508 5.035 1.00 0.00 O ATOM 113 CB THR A 7 13.283 0.675 7.197 1.00 0.00 C ATOM 114 OG1 THR A 7 12.817 -0.664 7.386 1.00 0.00 O ATOM 115 CG2 THR A 7 13.896 1.190 8.489 1.00 0.00 C ATOM 0 H THR A 7 10.384 0.635 7.431 1.00 0.00 H new ATOM 0 HA THR A 7 12.439 2.617 6.759 1.00 0.00 H new ATOM 0 HB THR A 7 14.054 0.691 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.118 -0.673 8.073 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.710 0.532 8.793 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.283 2.197 8.332 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.135 1.211 9.269 1.00 0.00 H new ATOM 123 N ALA A 8 12.586 1.650 4.341 1.00 0.00 N ATOM 124 CA ALA A 8 12.382 1.325 2.937 1.00 0.00 C ATOM 125 C ALA A 8 12.783 -0.114 2.668 1.00 0.00 C ATOM 126 O ALA A 8 12.270 -0.750 1.746 1.00 0.00 O ATOM 127 CB ALA A 8 13.158 2.268 2.037 1.00 0.00 C ATOM 0 H ALA A 8 13.397 2.241 4.524 1.00 0.00 H new ATOM 0 HA ALA A 8 11.322 1.444 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.986 2.000 0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.825 3.291 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.222 2.191 2.260 1.00 0.00 H new ATOM 133 N SER A 9 13.708 -0.615 3.479 1.00 0.00 N ATOM 134 CA SER A 9 14.084 -2.017 3.430 1.00 0.00 C ATOM 135 C SER A 9 12.856 -2.873 3.702 1.00 0.00 C ATOM 136 O SER A 9 12.604 -3.850 3.006 1.00 0.00 O ATOM 137 CB SER A 9 15.175 -2.303 4.461 1.00 0.00 C ATOM 138 OG SER A 9 16.244 -1.379 4.333 1.00 0.00 O ATOM 0 H SER A 9 14.210 -0.068 4.178 1.00 0.00 H new ATOM 0 HA SER A 9 14.476 -2.257 2.442 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.756 -2.245 5.466 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.548 -3.319 4.330 1.00 0.00 H new ATOM 0 HG SER A 9 16.931 -1.578 5.003 1.00 0.00 H new ATOM 144 N GLU A 10 12.091 -2.480 4.716 1.00 0.00 N ATOM 145 CA GLU A 10 10.816 -3.103 5.020 1.00 0.00 C ATOM 146 C GLU A 10 9.885 -3.121 3.812 1.00 0.00 C ATOM 147 O GLU A 10 9.295 -4.157 3.504 1.00 0.00 O ATOM 148 CB GLU A 10 10.171 -2.368 6.186 1.00 0.00 C ATOM 149 CG GLU A 10 10.672 -2.856 7.522 1.00 0.00 C ATOM 150 CD GLU A 10 10.109 -2.073 8.675 1.00 0.00 C ATOM 151 OE1 GLU A 10 10.620 -0.972 8.945 1.00 0.00 O ATOM 152 OE2 GLU A 10 9.158 -2.556 9.320 1.00 0.00 O ATOM 0 H GLU A 10 12.342 -1.720 5.348 1.00 0.00 H new ATOM 0 HA GLU A 10 10.996 -4.143 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.371 -1.300 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.089 -2.495 6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.411 -3.908 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.760 -2.793 7.542 1.00 0.00 H new ATOM 159 N PHE A 11 9.756 -1.983 3.126 1.00 0.00 N ATOM 160 CA PHE A 11 8.897 -1.916 1.946 1.00 0.00 C ATOM 161 C PHE A 11 9.362 -2.928 0.906 1.00 0.00 C ATOM 162 O PHE A 11 8.625 -3.839 0.537 1.00 0.00 O ATOM 163 CB PHE A 11 8.899 -0.495 1.352 1.00 0.00 C ATOM 164 CG PHE A 11 7.885 -0.269 0.253 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.064 -0.817 -1.007 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.759 0.513 0.477 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.145 -0.593 -2.016 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.837 0.739 -0.535 1.00 0.00 C ATOM 169 CZ PHE A 11 6.035 0.185 -1.778 1.00 0.00 C ATOM 0 H PHE A 11 10.227 -1.110 3.363 1.00 0.00 H new ATOM 0 HA PHE A 11 7.877 -2.159 2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.712 0.220 2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.893 -0.281 0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.933 -1.427 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.599 0.951 1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.299 -1.029 -2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.966 1.349 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.319 0.360 -2.568 1.00 0.00 H new ATOM 179 N ASP A 12 10.607 -2.776 0.485 1.00 0.00 N ATOM 180 CA ASP A 12 11.208 -3.615 -0.555 1.00 0.00 C ATOM 181 C ASP A 12 11.186 -5.094 -0.166 1.00 0.00 C ATOM 182 O ASP A 12 11.005 -5.966 -1.018 1.00 0.00 O ATOM 183 CB ASP A 12 12.647 -3.152 -0.794 1.00 0.00 C ATOM 184 CG ASP A 12 13.342 -3.897 -1.912 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.184 -3.496 -3.085 1.00 0.00 O ATOM 186 OD2 ASP A 12 14.070 -4.868 -1.625 1.00 0.00 O ATOM 0 H ASP A 12 11.238 -2.064 0.854 1.00 0.00 H new ATOM 0 HA ASP A 12 10.624 -3.511 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.644 -2.087 -1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.218 -3.277 0.126 1.00 0.00 H new ATOM 191 N SER A 13 11.357 -5.365 1.120 1.00 0.00 N ATOM 192 CA SER A 13 11.350 -6.728 1.629 1.00 0.00 C ATOM 193 C SER A 13 9.986 -7.376 1.411 1.00 0.00 C ATOM 194 O SER A 13 9.899 -8.496 0.900 1.00 0.00 O ATOM 195 CB SER A 13 11.716 -6.737 3.117 1.00 0.00 C ATOM 196 OG SER A 13 11.908 -8.055 3.602 1.00 0.00 O ATOM 0 H SER A 13 11.503 -4.652 1.835 1.00 0.00 H new ATOM 0 HA SER A 13 12.094 -7.307 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.625 -6.156 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.926 -6.250 3.689 1.00 0.00 H new ATOM 0 HG SER A 13 12.141 -8.023 4.553 1.00 0.00 H new ATOM 202 N ALA A 14 8.921 -6.669 1.782 1.00 0.00 N ATOM 203 CA ALA A 14 7.570 -7.172 1.589 1.00 0.00 C ATOM 204 C ALA A 14 7.275 -7.341 0.109 1.00 0.00 C ATOM 205 O ALA A 14 6.532 -8.234 -0.291 1.00 0.00 O ATOM 206 CB ALA A 14 6.543 -6.251 2.234 1.00 0.00 C ATOM 0 H ALA A 14 8.971 -5.748 2.217 1.00 0.00 H new ATOM 0 HA ALA A 14 7.500 -8.146 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.542 -6.653 2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.738 -6.181 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.612 -5.259 1.787 1.00 0.00 H new ATOM 212 N ILE A 15 7.879 -6.479 -0.699 1.00 0.00 N ATOM 213 CA ILE A 15 7.711 -6.529 -2.145 1.00 0.00 C ATOM 214 C ILE A 15 8.257 -7.829 -2.714 1.00 0.00 C ATOM 215 O ILE A 15 7.646 -8.440 -3.589 1.00 0.00 O ATOM 216 CB ILE A 15 8.441 -5.369 -2.841 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.989 -4.022 -2.316 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.230 -5.411 -4.336 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.495 -3.910 -2.095 1.00 0.00 C ATOM 0 H ILE A 15 8.493 -5.732 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 15 6.640 -6.454 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 15 9.501 -5.493 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.500 -3.822 -1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.300 -3.248 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.758 -4.579 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.614 -6.351 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.165 -5.333 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.256 -2.915 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.974 -4.076 -3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.178 -4.658 -1.369 1.00 0.00 H new ATOM 231 N ALA A 16 9.398 -8.258 -2.187 1.00 0.00 N ATOM 232 CA ALA A 16 10.119 -9.410 -2.724 1.00 0.00 C ATOM 233 C ALA A 16 9.441 -10.721 -2.359 1.00 0.00 C ATOM 234 O ALA A 16 9.941 -11.802 -2.667 1.00 0.00 O ATOM 235 CB ALA A 16 11.555 -9.399 -2.229 1.00 0.00 C ATOM 0 H ALA A 16 9.848 -7.822 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 16 10.112 -9.332 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.086 -10.261 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.046 -8.483 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.565 -9.445 -1.140 1.00 0.00 H new ATOM 241 N GLN A 17 8.298 -10.611 -1.715 1.00 0.00 N ATOM 242 CA GLN A 17 7.532 -11.766 -1.292 1.00 0.00 C ATOM 243 C GLN A 17 6.651 -12.253 -2.442 1.00 0.00 C ATOM 244 O GLN A 17 6.121 -11.447 -3.213 1.00 0.00 O ATOM 245 CB GLN A 17 6.689 -11.376 -0.082 1.00 0.00 C ATOM 246 CG GLN A 17 5.977 -12.530 0.591 1.00 0.00 C ATOM 247 CD GLN A 17 5.305 -12.112 1.884 1.00 0.00 C ATOM 248 OE1 GLN A 17 5.137 -12.916 2.799 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.930 -10.844 1.980 1.00 0.00 N ATOM 0 H GLN A 17 7.873 -9.717 -1.469 1.00 0.00 H new ATOM 0 HA GLN A 17 8.199 -12.582 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.332 -10.887 0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.947 -10.642 -0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.230 -12.940 -0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.692 -13.326 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.086 -10.206 1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.486 -10.507 2.834 1.00 0.00 H new ATOM 258 N ASP A 18 6.500 -13.564 -2.561 1.00 0.00 N ATOM 259 CA ASP A 18 5.754 -14.150 -3.672 1.00 0.00 C ATOM 260 C ASP A 18 4.257 -14.142 -3.383 1.00 0.00 C ATOM 261 O ASP A 18 3.663 -15.172 -3.054 1.00 0.00 O ATOM 262 CB ASP A 18 6.234 -15.578 -3.951 1.00 0.00 C ATOM 263 CG ASP A 18 5.558 -16.194 -5.160 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.935 -15.844 -6.299 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.652 -17.034 -4.985 1.00 0.00 O ATOM 0 H ASP A 18 6.883 -14.244 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 18 5.936 -13.543 -4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.313 -15.571 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.042 -16.199 -3.076 1.00 0.00 H new ATOM 270 N LYS A 19 3.667 -12.963 -3.482 1.00 0.00 N ATOM 271 CA LYS A 19 2.238 -12.774 -3.276 1.00 0.00 C ATOM 272 C LYS A 19 1.885 -11.332 -3.597 1.00 0.00 C ATOM 273 O LYS A 19 2.763 -10.545 -3.952 1.00 0.00 O ATOM 274 CB LYS A 19 1.846 -13.107 -1.831 1.00 0.00 C ATOM 275 CG LYS A 19 2.486 -12.195 -0.800 1.00 0.00 C ATOM 276 CD LYS A 19 2.314 -12.727 0.613 1.00 0.00 C ATOM 277 CE LYS A 19 0.859 -12.760 1.047 1.00 0.00 C ATOM 278 NZ LYS A 19 0.738 -13.082 2.493 1.00 0.00 N ATOM 0 H LYS A 19 4.168 -12.104 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 19 1.687 -13.446 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.762 -13.046 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.127 -14.138 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.548 -12.087 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.043 -11.201 -0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.731 -13.732 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.882 -12.105 1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.395 -11.794 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.318 -13.502 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.211 -12.821 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.888 -14.101 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.453 -12.549 3.028 1.00 0.00 H new ATOM 292 N LEU A 20 0.614 -10.986 -3.478 1.00 0.00 N ATOM 293 CA LEU A 20 0.183 -9.623 -3.720 1.00 0.00 C ATOM 294 C LEU A 20 0.453 -8.782 -2.481 1.00 0.00 C ATOM 295 O LEU A 20 -0.042 -9.080 -1.390 1.00 0.00 O ATOM 296 CB LEU A 20 -1.305 -9.593 -4.089 1.00 0.00 C ATOM 297 CG LEU A 20 -1.806 -8.329 -4.802 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.837 -7.135 -3.863 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.937 -8.027 -6.011 1.00 0.00 C ATOM 0 H LEU A 20 -0.133 -11.629 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 20 0.743 -9.207 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.516 -10.451 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.886 -9.723 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.827 -8.517 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.197 -6.258 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.504 -7.347 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.833 -6.943 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.303 -7.128 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.092 -7.870 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.976 -8.866 -6.706 1.00 0.00 H new ATOM 311 N VAL A 21 1.254 -7.747 -2.652 1.00 0.00 N ATOM 312 CA VAL A 21 1.601 -6.860 -1.561 1.00 0.00 C ATOM 313 C VAL A 21 0.767 -5.589 -1.633 1.00 0.00 C ATOM 314 O VAL A 21 0.948 -4.775 -2.536 1.00 0.00 O ATOM 315 CB VAL A 21 3.095 -6.474 -1.599 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.579 -6.067 -0.216 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.939 -7.605 -2.170 1.00 0.00 C ATOM 0 H VAL A 21 1.679 -7.500 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 21 1.398 -7.392 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 21 3.208 -5.615 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.634 -5.799 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.002 -5.211 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.448 -6.900 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.987 -7.305 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.825 -8.494 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.611 -7.827 -3.185 1.00 0.00 H new ATOM 327 N VAL A 22 -0.155 -5.432 -0.697 1.00 0.00 N ATOM 328 CA VAL A 22 -0.973 -4.233 -0.626 1.00 0.00 C ATOM 329 C VAL A 22 -0.317 -3.230 0.302 1.00 0.00 C ATOM 330 O VAL A 22 -0.360 -3.384 1.525 1.00 0.00 O ATOM 331 CB VAL A 22 -2.395 -4.531 -0.103 1.00 0.00 C ATOM 332 CG1 VAL A 22 -3.273 -3.291 -0.190 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.018 -5.686 -0.864 1.00 0.00 C ATOM 0 H VAL A 22 -0.356 -6.123 0.026 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.057 -3.834 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.317 -4.819 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.270 -3.524 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.837 -2.494 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.341 -2.966 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.019 -5.878 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.079 -5.433 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.404 -6.578 -0.739 1.00 0.00 H new ATOM 343 N VAL A 23 0.310 -2.218 -0.268 1.00 0.00 N ATOM 344 CA VAL A 23 0.985 -1.229 0.543 1.00 0.00 C ATOM 345 C VAL A 23 0.204 0.074 0.589 1.00 0.00 C ATOM 346 O VAL A 23 -0.221 0.611 -0.435 1.00 0.00 O ATOM 347 CB VAL A 23 2.421 -0.956 0.071 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.127 -0.056 1.066 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.188 -2.251 -0.099 1.00 0.00 C ATOM 0 H VAL A 23 0.365 -2.062 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 23 1.040 -1.650 1.547 1.00 0.00 H new ATOM 0 HB VAL A 23 2.379 -0.457 -0.897 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.145 0.134 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.589 0.889 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.155 -0.543 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.202 -2.032 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.227 -2.779 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.688 -2.875 -0.840 1.00 0.00 H new ATOM 359 N ALA A 24 0.033 0.558 1.799 1.00 0.00 N ATOM 360 CA ALA A 24 -0.739 1.754 2.077 1.00 0.00 C ATOM 361 C ALA A 24 0.172 2.911 2.472 1.00 0.00 C ATOM 362 O ALA A 24 0.627 2.981 3.614 1.00 0.00 O ATOM 363 CB ALA A 24 -1.687 1.467 3.224 1.00 0.00 C ATOM 0 H ALA A 24 0.432 0.126 2.633 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.289 2.032 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.274 2.359 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.356 0.652 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.114 1.184 4.107 1.00 0.00 H new ATOM 369 N PHE A 25 0.452 3.811 1.550 1.00 0.00 N ATOM 370 CA PHE A 25 1.289 4.956 1.872 1.00 0.00 C ATOM 371 C PHE A 25 0.470 6.223 2.044 1.00 0.00 C ATOM 372 O PHE A 25 -0.157 6.714 1.109 1.00 0.00 O ATOM 373 CB PHE A 25 2.379 5.145 0.824 1.00 0.00 C ATOM 374 CG PHE A 25 3.678 4.557 1.268 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.724 3.264 1.750 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.843 5.300 1.236 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.907 2.715 2.186 1.00 0.00 C ATOM 378 CE2 PHE A 25 6.032 4.758 1.675 1.00 0.00 C ATOM 379 CZ PHE A 25 6.063 3.462 2.150 1.00 0.00 C ATOM 0 H PHE A 25 0.120 3.776 0.586 1.00 0.00 H new ATOM 0 HA PHE A 25 1.769 4.750 2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.069 4.679 -0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.510 6.208 0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.819 2.676 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.822 6.314 0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.929 1.700 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.937 5.346 1.647 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.994 3.034 2.493 1.00 0.00 H new ATOM 389 N TYR A 26 0.485 6.743 3.256 1.00 0.00 N ATOM 390 CA TYR A 26 -0.270 7.935 3.594 1.00 0.00 C ATOM 391 C TYR A 26 0.570 8.852 4.463 1.00 0.00 C ATOM 392 O TYR A 26 1.684 8.506 4.834 1.00 0.00 O ATOM 393 CB TYR A 26 -1.564 7.552 4.316 1.00 0.00 C ATOM 394 CG TYR A 26 -1.363 6.588 5.468 1.00 0.00 C ATOM 395 CD1 TYR A 26 -0.984 7.038 6.727 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.556 5.225 5.293 1.00 0.00 C ATOM 397 CE1 TYR A 26 -0.802 6.155 7.774 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.381 4.337 6.332 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.002 4.806 7.574 1.00 0.00 C ATOM 400 OH TYR A 26 -0.820 3.926 8.618 1.00 0.00 O ATOM 0 H TYR A 26 1.019 6.353 4.032 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.528 8.463 2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.040 8.458 4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.251 7.105 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.829 8.094 6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.849 4.853 4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.504 6.521 8.746 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.539 3.280 6.176 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.664 3.814 9.103 1.00 0.00 H new ATOM 410 N ALA A 27 0.041 10.020 4.783 1.00 0.00 N ATOM 411 CA ALA A 27 0.751 10.966 5.627 1.00 0.00 C ATOM 412 C ALA A 27 -0.117 11.371 6.799 1.00 0.00 C ATOM 413 O ALA A 27 -1.290 11.694 6.628 1.00 0.00 O ATOM 414 CB ALA A 27 1.162 12.191 4.831 1.00 0.00 C ATOM 0 H ALA A 27 -0.877 10.336 4.472 1.00 0.00 H new ATOM 0 HA ALA A 27 1.653 10.483 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.692 12.887 5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.815 11.890 4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.274 12.677 4.427 1.00 0.00 H new ATOM 420 N THR A 28 0.471 11.359 7.984 1.00 0.00 N ATOM 421 CA THR A 28 -0.249 11.662 9.207 1.00 0.00 C ATOM 422 C THR A 28 -0.715 13.121 9.263 1.00 0.00 C ATOM 423 O THR A 28 -1.568 13.471 10.078 1.00 0.00 O ATOM 424 CB THR A 28 0.630 11.346 10.416 1.00 0.00 C ATOM 425 OG1 THR A 28 1.889 10.824 9.966 1.00 0.00 O ATOM 426 CG2 THR A 28 -0.034 10.321 11.317 1.00 0.00 C ATOM 0 H THR A 28 1.457 11.140 8.124 1.00 0.00 H new ATOM 0 HA THR A 28 -1.142 11.038 9.224 1.00 0.00 H new ATOM 0 HB THR A 28 0.780 12.266 10.981 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.742 9.982 9.487 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.612 10.114 12.170 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.988 10.711 11.671 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.204 9.401 10.758 1.00 0.00 H new ATOM 434 N TRP A 29 -0.164 13.968 8.397 1.00 0.00 N ATOM 435 CA TRP A 29 -0.603 15.359 8.318 1.00 0.00 C ATOM 436 C TRP A 29 -1.756 15.508 7.329 1.00 0.00 C ATOM 437 O TRP A 29 -2.431 16.535 7.295 1.00 0.00 O ATOM 438 CB TRP A 29 0.555 16.289 7.921 1.00 0.00 C ATOM 439 CG TRP A 29 1.187 15.983 6.590 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.362 15.325 6.379 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.689 16.337 5.290 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.624 15.243 5.034 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.613 15.855 4.345 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.448 17.008 4.834 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.434 16.026 2.975 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.626 17.177 3.476 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.310 16.686 2.559 1.00 0.00 C ATOM 0 H TRP A 29 0.580 13.719 7.746 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.950 15.650 9.310 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.188 17.315 7.905 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.324 16.237 8.692 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.995 14.926 7.157 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.441 14.798 4.616 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.177 17.389 5.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.157 15.651 2.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.502 17.696 3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.142 16.831 1.502 1.00 0.00 H new ATOM 458 N CYS A 30 -1.975 14.475 6.529 1.00 0.00 N ATOM 459 CA CYS A 30 -2.988 14.516 5.488 1.00 0.00 C ATOM 460 C CYS A 30 -4.349 14.155 6.069 1.00 0.00 C ATOM 461 O CYS A 30 -4.445 13.310 6.959 1.00 0.00 O ATOM 462 CB CYS A 30 -2.613 13.548 4.361 1.00 0.00 C ATOM 463 SG CYS A 30 -3.765 13.527 2.968 1.00 0.00 S ATOM 0 H CYS A 30 -1.462 13.595 6.582 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.042 15.525 5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.622 13.809 3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.544 12.541 4.773 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.302 14.703 2.831 1.00 0.00 H new ATOM 469 N GLY A 31 -5.390 14.802 5.572 1.00 0.00 N ATOM 470 CA GLY A 31 -6.732 14.544 6.057 1.00 0.00 C ATOM 471 C GLY A 31 -7.269 13.191 5.623 1.00 0.00 C ATOM 472 O GLY A 31 -7.501 12.318 6.462 1.00 0.00 O ATOM 0 H GLY A 31 -5.331 15.506 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.736 14.598 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.400 15.327 5.696 1.00 0.00 H new ATOM 476 N PRO A 32 -7.472 12.982 4.307 1.00 0.00 N ATOM 477 CA PRO A 32 -8.051 11.743 3.762 1.00 0.00 C ATOM 478 C PRO A 32 -7.147 10.508 3.887 1.00 0.00 C ATOM 479 O PRO A 32 -7.392 9.493 3.237 1.00 0.00 O ATOM 480 CB PRO A 32 -8.285 12.071 2.278 1.00 0.00 C ATOM 481 CG PRO A 32 -8.178 13.553 2.181 1.00 0.00 C ATOM 482 CD PRO A 32 -7.198 13.955 3.239 1.00 0.00 C ATOM 0 HA PRO A 32 -8.949 11.472 4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.545 11.581 1.646 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.265 11.725 1.949 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.835 13.857 1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.146 14.027 2.342 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.169 13.891 2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.358 14.980 3.572 1.00 0.00 H new ATOM 490 N CYS A 33 -6.118 10.576 4.726 1.00 0.00 N ATOM 491 CA CYS A 33 -5.278 9.409 4.987 1.00 0.00 C ATOM 492 C CYS A 33 -6.109 8.350 5.703 1.00 0.00 C ATOM 493 O CYS A 33 -5.902 7.136 5.549 1.00 0.00 O ATOM 494 CB CYS A 33 -4.067 9.793 5.839 1.00 0.00 C ATOM 495 SG CYS A 33 -4.490 10.462 7.463 1.00 0.00 S ATOM 0 H CYS A 33 -5.846 11.418 5.233 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.912 9.013 4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.437 8.914 5.973 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.474 10.530 5.297 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.266 11.742 7.477 1.00 0.00 H new ATOM 501 N LYS A 34 -7.088 8.839 6.452 1.00 0.00 N ATOM 502 CA LYS A 34 -8.001 7.996 7.197 1.00 0.00 C ATOM 503 C LYS A 34 -8.869 7.162 6.262 1.00 0.00 C ATOM 504 O LYS A 34 -9.590 6.283 6.715 1.00 0.00 O ATOM 505 CB LYS A 34 -8.890 8.852 8.099 1.00 0.00 C ATOM 506 CG LYS A 34 -9.739 9.856 7.334 1.00 0.00 C ATOM 507 CD LYS A 34 -10.624 10.661 8.267 1.00 0.00 C ATOM 508 CE LYS A 34 -11.490 11.643 7.499 1.00 0.00 C ATOM 509 NZ LYS A 34 -12.381 12.420 8.402 1.00 0.00 N ATOM 0 H LYS A 34 -7.268 9.837 6.558 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.407 7.318 7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.545 8.199 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.263 9.387 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.091 10.530 6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.358 9.331 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.258 9.986 8.842 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.004 11.202 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.853 12.328 6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.094 11.102 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.956 13.079 7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.006 11.768 8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.804 12.956 9.081 1.00 0.00 H new ATOM 523 N MET A 35 -8.813 7.438 4.958 1.00 0.00 N ATOM 524 CA MET A 35 -9.578 6.653 4.001 1.00 0.00 C ATOM 525 C MET A 35 -8.840 5.351 3.745 1.00 0.00 C ATOM 526 O MET A 35 -9.438 4.285 3.622 1.00 0.00 O ATOM 527 CB MET A 35 -9.754 7.414 2.686 1.00 0.00 C ATOM 528 CG MET A 35 -11.130 7.247 2.047 1.00 0.00 C ATOM 529 SD MET A 35 -11.626 5.524 1.840 1.00 0.00 S ATOM 530 CE MET A 35 -12.989 5.701 0.692 1.00 0.00 C ATOM 0 H MET A 35 -8.254 8.187 4.550 1.00 0.00 H new ATOM 0 HA MET A 35 -10.569 6.455 4.410 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.575 8.474 2.866 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.995 7.078 1.980 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.871 7.758 2.661 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.131 7.736 1.073 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.657 4.845 0.785 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.538 6.615 0.917 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.603 5.751 -0.326 1.00 0.00 H new ATOM 540 N ILE A 36 -7.518 5.449 3.712 1.00 0.00 N ATOM 541 CA ILE A 36 -6.678 4.300 3.437 1.00 0.00 C ATOM 542 C ILE A 36 -6.609 3.385 4.642 1.00 0.00 C ATOM 543 O ILE A 36 -6.412 2.180 4.502 1.00 0.00 O ATOM 544 CB ILE A 36 -5.260 4.746 2.995 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.160 4.716 1.476 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.168 3.890 3.611 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.267 5.477 0.799 1.00 0.00 C ATOM 0 H ILE A 36 -7.007 6.317 3.873 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.125 3.741 2.615 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.109 5.764 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.200 5.134 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.178 3.680 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.194 4.242 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.220 3.960 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.305 2.852 3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.141 5.418 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.228 5.044 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.235 6.521 1.112 1.00 0.00 H new ATOM 559 N ALA A 37 -6.827 3.951 5.820 1.00 0.00 N ATOM 560 CA ALA A 37 -6.845 3.153 7.035 1.00 0.00 C ATOM 561 C ALA A 37 -7.871 2.003 6.941 1.00 0.00 C ATOM 562 O ALA A 37 -7.469 0.840 6.884 1.00 0.00 O ATOM 563 CB ALA A 37 -7.075 4.037 8.258 1.00 0.00 C ATOM 0 H ALA A 37 -6.992 4.948 5.959 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.867 2.686 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.085 3.420 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.274 4.772 8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.031 4.551 8.161 1.00 0.00 H new ATOM 569 N PRO A 38 -9.198 2.266 6.878 1.00 0.00 N ATOM 570 CA PRO A 38 -10.179 1.186 6.891 1.00 0.00 C ATOM 571 C PRO A 38 -10.426 0.548 5.527 1.00 0.00 C ATOM 572 O PRO A 38 -10.797 -0.618 5.467 1.00 0.00 O ATOM 573 CB PRO A 38 -11.439 1.878 7.390 1.00 0.00 C ATOM 574 CG PRO A 38 -11.331 3.258 6.849 1.00 0.00 C ATOM 575 CD PRO A 38 -9.857 3.577 6.797 1.00 0.00 C ATOM 0 HA PRO A 38 -9.839 0.354 7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.338 1.378 7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.489 1.879 8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.778 3.323 5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.860 3.968 7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.595 4.098 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.560 4.223 7.623 1.00 0.00 H new ATOM 583 N MET A 39 -10.221 1.282 4.432 1.00 0.00 N ATOM 584 CA MET A 39 -10.518 0.737 3.117 1.00 0.00 C ATOM 585 C MET A 39 -9.516 -0.356 2.780 1.00 0.00 C ATOM 586 O MET A 39 -9.869 -1.417 2.270 1.00 0.00 O ATOM 587 CB MET A 39 -10.467 1.842 2.060 1.00 0.00 C ATOM 588 CG MET A 39 -10.414 1.308 0.647 1.00 0.00 C ATOM 589 SD MET A 39 -9.401 2.323 -0.434 1.00 0.00 S ATOM 590 CE MET A 39 -7.850 2.355 0.470 1.00 0.00 C ATOM 0 H MET A 39 -9.858 2.235 4.433 1.00 0.00 H new ATOM 0 HA MET A 39 -11.522 0.313 3.126 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.344 2.481 2.168 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.593 2.468 2.239 1.00 0.00 H new ATOM 0 HG2 MET A 39 -10.020 0.292 0.661 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.426 1.252 0.245 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.110 2.920 -0.097 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.004 2.829 1.440 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.493 1.336 0.617 1.00 0.00 H new ATOM 600 N ILE A 40 -8.268 -0.090 3.104 1.00 0.00 N ATOM 601 CA ILE A 40 -7.183 -1.011 2.830 1.00 0.00 C ATOM 602 C ILE A 40 -7.214 -2.181 3.795 1.00 0.00 C ATOM 603 O ILE A 40 -6.977 -3.324 3.401 1.00 0.00 O ATOM 604 CB ILE A 40 -5.844 -0.254 2.891 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.210 -0.195 1.511 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.872 -0.861 3.894 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.216 0.926 1.374 1.00 0.00 C ATOM 0 H ILE A 40 -7.976 0.772 3.565 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.300 -1.423 1.828 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.064 0.757 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.713 -1.143 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.992 -0.075 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.945 -0.288 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.315 -0.837 4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.660 -1.893 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.796 0.919 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.715 1.879 1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.416 0.794 2.102 1.00 0.00 H new ATOM 619 N GLU A 41 -7.527 -1.906 5.055 1.00 0.00 N ATOM 620 CA GLU A 41 -7.691 -2.984 6.016 1.00 0.00 C ATOM 621 C GLU A 41 -8.912 -3.828 5.653 1.00 0.00 C ATOM 622 O GLU A 41 -8.966 -5.015 5.961 1.00 0.00 O ATOM 623 CB GLU A 41 -7.803 -2.450 7.449 1.00 0.00 C ATOM 624 CG GLU A 41 -6.511 -1.826 7.958 1.00 0.00 C ATOM 625 CD GLU A 41 -6.431 -1.760 9.465 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.455 -1.458 10.112 1.00 0.00 O ATOM 627 OE2 GLU A 41 -5.333 -2.005 10.013 1.00 0.00 O ATOM 0 H GLU A 41 -7.669 -0.967 5.428 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.802 -3.613 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.600 -1.707 7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.091 -3.265 8.112 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.665 -2.401 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.418 -0.819 7.552 1.00 0.00 H new ATOM 634 N LYS A 42 -9.874 -3.210 4.973 1.00 0.00 N ATOM 635 CA LYS A 42 -11.090 -3.893 4.542 1.00 0.00 C ATOM 636 C LYS A 42 -10.797 -4.896 3.426 1.00 0.00 C ATOM 637 O LYS A 42 -11.385 -5.981 3.389 1.00 0.00 O ATOM 638 CB LYS A 42 -12.135 -2.871 4.079 1.00 0.00 C ATOM 639 CG LYS A 42 -13.398 -3.491 3.506 1.00 0.00 C ATOM 640 CD LYS A 42 -14.391 -2.426 3.079 1.00 0.00 C ATOM 641 CE LYS A 42 -15.647 -3.041 2.485 1.00 0.00 C ATOM 642 NZ LYS A 42 -16.620 -2.002 2.066 1.00 0.00 N ATOM 0 H LYS A 42 -9.833 -2.226 4.706 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.487 -4.446 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.405 -2.236 4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.686 -2.225 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.143 -4.117 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.857 -4.141 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.657 -1.810 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.926 -1.767 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.380 -3.657 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.111 -3.700 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.464 -2.458 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.894 -1.430 2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.185 -1.388 1.348 1.00 0.00 H new ATOM 656 N PHE A 43 -9.886 -4.533 2.525 1.00 0.00 N ATOM 657 CA PHE A 43 -9.498 -5.418 1.426 1.00 0.00 C ATOM 658 C PHE A 43 -9.097 -6.791 1.968 1.00 0.00 C ATOM 659 O PHE A 43 -9.755 -7.796 1.687 1.00 0.00 O ATOM 660 CB PHE A 43 -8.334 -4.820 0.622 1.00 0.00 C ATOM 661 CG PHE A 43 -8.651 -3.500 -0.006 1.00 0.00 C ATOM 662 CD1 PHE A 43 -9.934 -3.209 -0.438 1.00 0.00 C ATOM 663 CD2 PHE A 43 -7.664 -2.543 -0.156 1.00 0.00 C ATOM 664 CE1 PHE A 43 -10.225 -1.989 -1.008 1.00 0.00 C ATOM 665 CE2 PHE A 43 -7.950 -1.321 -0.724 1.00 0.00 C ATOM 666 CZ PHE A 43 -9.233 -1.045 -1.151 1.00 0.00 C ATOM 0 H PHE A 43 -9.403 -3.635 2.533 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.357 -5.528 0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.473 -4.702 1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.044 -5.523 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.715 -3.947 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.658 -2.756 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.229 -1.774 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.172 -0.580 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.459 -0.088 -1.598 1.00 0.00 H new ATOM 676 N SER A 44 -8.047 -6.831 2.783 1.00 0.00 N ATOM 677 CA SER A 44 -7.552 -8.090 3.310 1.00 0.00 C ATOM 678 C SER A 44 -8.441 -8.606 4.444 1.00 0.00 C ATOM 679 O SER A 44 -8.325 -9.759 4.854 1.00 0.00 O ATOM 680 CB SER A 44 -6.113 -7.942 3.776 1.00 0.00 C ATOM 681 OG SER A 44 -5.319 -7.318 2.777 1.00 0.00 O ATOM 0 H SER A 44 -7.528 -6.008 3.089 1.00 0.00 H new ATOM 0 HA SER A 44 -7.581 -8.826 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.082 -7.352 4.692 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.701 -8.923 4.014 1.00 0.00 H new ATOM 0 HG SER A 44 -4.506 -7.845 2.628 1.00 0.00 H new ATOM 687 N GLU A 45 -9.316 -7.744 4.960 1.00 0.00 N ATOM 688 CA GLU A 45 -10.335 -8.168 5.918 1.00 0.00 C ATOM 689 C GLU A 45 -11.221 -9.224 5.265 1.00 0.00 C ATOM 690 O GLU A 45 -11.727 -10.134 5.922 1.00 0.00 O ATOM 691 CB GLU A 45 -11.182 -6.969 6.361 1.00 0.00 C ATOM 692 CG GLU A 45 -12.193 -7.278 7.452 1.00 0.00 C ATOM 693 CD GLU A 45 -13.030 -6.069 7.821 1.00 0.00 C ATOM 694 OE1 GLU A 45 -12.538 -5.201 8.573 1.00 0.00 O ATOM 695 OE2 GLU A 45 -14.185 -5.975 7.357 1.00 0.00 O ATOM 0 H GLU A 45 -9.340 -6.750 4.731 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.851 -8.589 6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.516 -6.181 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.712 -6.575 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.848 -8.083 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.670 -7.639 8.338 1.00 0.00 H new ATOM 702 N GLN A 46 -11.391 -9.091 3.956 1.00 0.00 N ATOM 703 CA GLN A 46 -12.131 -10.060 3.177 1.00 0.00 C ATOM 704 C GLN A 46 -11.196 -11.154 2.679 1.00 0.00 C ATOM 705 O GLN A 46 -11.500 -12.340 2.784 1.00 0.00 O ATOM 706 CB GLN A 46 -12.807 -9.375 1.993 1.00 0.00 C ATOM 707 CG GLN A 46 -13.817 -8.314 2.395 1.00 0.00 C ATOM 708 CD GLN A 46 -14.319 -7.517 1.209 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.464 -7.063 1.185 1.00 0.00 O ATOM 710 NE2 GLN A 46 -13.461 -7.326 0.218 1.00 0.00 N ATOM 0 H GLN A 46 -11.020 -8.312 3.412 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.896 -10.509 3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.043 -8.917 1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.308 -10.129 1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.662 -8.790 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.361 -7.637 3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.521 -7.718 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.740 -6.787 -0.602 1.00 0.00 H new ATOM 719 N TYR A 47 -10.054 -10.747 2.140 1.00 0.00 N ATOM 720 CA TYR A 47 -9.091 -11.691 1.597 1.00 0.00 C ATOM 721 C TYR A 47 -7.692 -11.479 2.179 1.00 0.00 C ATOM 722 O TYR A 47 -6.880 -10.735 1.633 1.00 0.00 O ATOM 723 CB TYR A 47 -9.069 -11.600 0.069 1.00 0.00 C ATOM 724 CG TYR A 47 -9.149 -10.193 -0.486 1.00 0.00 C ATOM 725 CD1 TYR A 47 -8.027 -9.375 -0.568 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.361 -9.690 -0.935 1.00 0.00 C ATOM 727 CE1 TYR A 47 -8.118 -8.095 -1.083 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.458 -8.415 -1.450 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.335 -7.624 -1.522 1.00 0.00 C ATOM 730 OH TYR A 47 -9.433 -6.351 -2.026 1.00 0.00 O ATOM 0 H TYR A 47 -9.774 -9.769 2.068 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.406 -12.694 1.886 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.154 -12.067 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.903 -12.180 -0.327 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.072 -9.745 -0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.245 -10.308 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.240 -7.469 -1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.410 -8.039 -1.795 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.908 -5.781 -1.386 1.00 0.00 H new ATOM 740 N PRO A 48 -7.378 -12.156 3.290 1.00 0.00 N ATOM 741 CA PRO A 48 -6.081 -12.015 3.956 1.00 0.00 C ATOM 742 C PRO A 48 -4.954 -12.699 3.185 1.00 0.00 C ATOM 743 O PRO A 48 -3.796 -12.665 3.598 1.00 0.00 O ATOM 744 CB PRO A 48 -6.304 -12.681 5.309 1.00 0.00 C ATOM 745 CG PRO A 48 -7.363 -13.698 5.058 1.00 0.00 C ATOM 746 CD PRO A 48 -8.257 -13.114 3.993 1.00 0.00 C ATOM 0 HA PRO A 48 -5.769 -10.973 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.389 -13.144 5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.620 -11.957 6.060 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.928 -14.641 4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.926 -13.908 5.968 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.633 -13.883 3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.126 -12.618 4.426 1.00 0.00 H new ATOM 754 N GLN A 49 -5.304 -13.319 2.061 1.00 0.00 N ATOM 755 CA GLN A 49 -4.328 -13.989 1.205 1.00 0.00 C ATOM 756 C GLN A 49 -3.348 -12.993 0.591 1.00 0.00 C ATOM 757 O GLN A 49 -2.315 -13.379 0.046 1.00 0.00 O ATOM 758 CB GLN A 49 -5.034 -14.785 0.112 1.00 0.00 C ATOM 759 CG GLN A 49 -6.038 -13.966 -0.634 1.00 0.00 C ATOM 760 CD GLN A 49 -5.550 -13.500 -1.995 1.00 0.00 C ATOM 761 OE1 GLN A 49 -5.723 -14.190 -2.998 1.00 0.00 O ATOM 762 NE2 GLN A 49 -4.947 -12.323 -2.045 1.00 0.00 N ATOM 0 H GLN A 49 -6.264 -13.371 1.720 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.757 -14.678 1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.293 -15.172 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.531 -15.646 0.558 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.948 -14.552 -0.764 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.302 -13.095 -0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.821 -11.778 -1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.608 -11.961 -2.936 1.00 0.00 H new ATOM 771 N ALA A 50 -3.678 -11.713 0.682 1.00 0.00 N ATOM 772 CA ALA A 50 -2.783 -10.659 0.233 1.00 0.00 C ATOM 773 C ALA A 50 -2.094 -10.059 1.440 1.00 0.00 C ATOM 774 O ALA A 50 -2.653 -10.070 2.538 1.00 0.00 O ATOM 775 CB ALA A 50 -3.552 -9.583 -0.513 1.00 0.00 C ATOM 0 H ALA A 50 -4.563 -11.379 1.064 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.044 -11.080 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.863 -8.804 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.042 -10.022 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.303 -9.149 0.147 1.00 0.00 H new ATOM 781 N ASP A 51 -0.893 -9.536 1.264 1.00 0.00 N ATOM 782 CA ASP A 51 -0.178 -9.008 2.407 1.00 0.00 C ATOM 783 C ASP A 51 -0.460 -7.540 2.578 1.00 0.00 C ATOM 784 O ASP A 51 -0.555 -6.794 1.608 1.00 0.00 O ATOM 785 CB ASP A 51 1.327 -9.254 2.345 1.00 0.00 C ATOM 786 CG ASP A 51 1.788 -10.020 3.567 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.512 -9.565 4.696 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.387 -11.101 3.408 1.00 0.00 O ATOM 0 H ASP A 51 -0.407 -9.467 0.370 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.548 -9.553 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.573 -9.814 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.855 -8.302 2.284 1.00 0.00 H new ATOM 793 N PHE A 52 -0.584 -7.145 3.823 1.00 0.00 N ATOM 794 CA PHE A 52 -1.051 -5.823 4.169 1.00 0.00 C ATOM 795 C PHE A 52 0.027 -5.032 4.893 1.00 0.00 C ATOM 796 O PHE A 52 0.432 -5.384 6.002 1.00 0.00 O ATOM 797 CB PHE A 52 -2.301 -5.950 5.042 1.00 0.00 C ATOM 798 CG PHE A 52 -2.356 -7.223 5.852 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.630 -7.353 7.026 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.136 -8.290 5.435 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.679 -8.520 7.764 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.190 -9.460 6.168 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.461 -9.574 7.335 1.00 0.00 C ATOM 0 H PHE A 52 -0.363 -7.733 4.627 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.295 -5.281 3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.347 -5.098 5.720 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.184 -5.898 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.018 -6.531 7.368 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.710 -8.206 4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.106 -8.608 8.675 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.801 -10.283 5.829 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.502 -10.486 7.911 1.00 0.00 H new ATOM 813 N TYR A 53 0.486 -3.957 4.271 1.00 0.00 N ATOM 814 CA TYR A 53 1.508 -3.117 4.872 1.00 0.00 C ATOM 815 C TYR A 53 1.224 -1.647 4.605 1.00 0.00 C ATOM 816 O TYR A 53 0.643 -1.298 3.585 1.00 0.00 O ATOM 817 CB TYR A 53 2.895 -3.488 4.342 1.00 0.00 C ATOM 818 CG TYR A 53 3.316 -4.924 4.594 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.864 -5.305 5.812 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.185 -5.893 3.605 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.266 -6.608 6.039 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.588 -7.197 3.824 1.00 0.00 C ATOM 823 CZ TYR A 53 4.129 -7.549 5.041 1.00 0.00 C ATOM 824 OH TYR A 53 4.536 -8.847 5.261 1.00 0.00 O ATOM 0 H TYR A 53 0.168 -3.647 3.353 1.00 0.00 H new ATOM 0 HA TYR A 53 1.489 -3.285 5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.919 -3.302 3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.630 -2.825 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.978 -4.570 6.595 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.761 -5.622 2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.686 -6.888 6.994 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.479 -7.937 3.044 1.00 0.00 H new ATOM 0 HH TYR A 53 4.440 -9.063 6.212 1.00 0.00 H new ATOM 834 N LYS A 54 1.627 -0.794 5.536 1.00 0.00 N ATOM 835 CA LYS A 54 1.301 0.620 5.480 1.00 0.00 C ATOM 836 C LYS A 54 2.406 1.455 6.130 1.00 0.00 C ATOM 837 O LYS A 54 3.180 0.933 6.935 1.00 0.00 O ATOM 838 CB LYS A 54 -0.039 0.841 6.182 1.00 0.00 C ATOM 839 CG LYS A 54 -0.010 0.602 7.682 1.00 0.00 C ATOM 840 CD LYS A 54 -1.385 0.795 8.304 1.00 0.00 C ATOM 841 CE LYS A 54 -1.345 0.604 9.812 1.00 0.00 C ATOM 842 NZ LYS A 54 -2.679 0.800 10.440 1.00 0.00 N ATOM 0 H LYS A 54 2.186 -1.062 6.346 1.00 0.00 H new ATOM 0 HA LYS A 54 1.222 0.939 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.368 1.863 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.782 0.180 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.343 -0.409 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.700 1.286 8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.754 1.794 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.087 0.086 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.982 -0.398 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.634 1.307 10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.603 0.660 11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.016 1.765 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.353 0.113 10.046 1.00 0.00 H new ATOM 856 N LEU A 55 2.493 2.739 5.770 1.00 0.00 N ATOM 857 CA LEU A 55 3.535 3.610 6.303 1.00 0.00 C ATOM 858 C LEU A 55 3.163 5.091 6.140 1.00 0.00 C ATOM 859 O LEU A 55 2.419 5.456 5.224 1.00 0.00 O ATOM 860 CB LEU A 55 4.862 3.285 5.597 1.00 0.00 C ATOM 861 CG LEU A 55 6.047 4.195 5.922 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.350 3.418 5.829 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.075 5.364 4.960 1.00 0.00 C ATOM 0 H LEU A 55 1.856 3.193 5.115 1.00 0.00 H new ATOM 0 HA LEU A 55 3.643 3.431 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.140 2.261 5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.693 3.316 4.521 1.00 0.00 H new ATOM 0 HG LEU A 55 5.934 4.569 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.185 4.078 6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.332 2.591 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.469 3.027 4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.921 6.009 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.175 4.993 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.149 5.932 5.051 1.00 0.00 H new ATOM 875 N ASP A 56 3.680 5.931 7.043 1.00 0.00 N ATOM 876 CA ASP A 56 3.499 7.377 6.964 1.00 0.00 C ATOM 877 C ASP A 56 4.644 8.022 6.191 1.00 0.00 C ATOM 878 O ASP A 56 5.778 8.063 6.675 1.00 0.00 O ATOM 879 CB ASP A 56 3.466 7.998 8.363 1.00 0.00 C ATOM 880 CG ASP A 56 2.243 7.633 9.168 1.00 0.00 C ATOM 881 OD1 ASP A 56 1.234 8.355 9.065 1.00 0.00 O ATOM 882 OD2 ASP A 56 2.305 6.650 9.936 1.00 0.00 O ATOM 0 H ASP A 56 4.233 5.626 7.844 1.00 0.00 H new ATOM 0 HA ASP A 56 2.553 7.557 6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.355 7.684 8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.516 9.083 8.269 1.00 0.00 H new ATOM 887 N VAL A 57 4.351 8.551 5.005 1.00 0.00 N ATOM 888 CA VAL A 57 5.355 9.251 4.211 1.00 0.00 C ATOM 889 C VAL A 57 5.776 10.535 4.927 1.00 0.00 C ATOM 890 O VAL A 57 6.846 11.089 4.678 1.00 0.00 O ATOM 891 CB VAL A 57 4.829 9.558 2.797 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.504 10.253 2.894 1.00 0.00 C ATOM 893 CG2 VAL A 57 5.818 10.393 1.995 1.00 0.00 C ATOM 0 H VAL A 57 3.427 8.508 4.574 1.00 0.00 H new ATOM 0 HA VAL A 57 6.226 8.605 4.102 1.00 0.00 H new ATOM 0 HB VAL A 57 4.704 8.614 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.133 10.470 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.793 9.610 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.622 11.185 3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.410 10.588 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.995 11.339 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.759 9.851 1.900 1.00 0.00 H new ATOM 903 N ASP A 58 4.920 10.977 5.847 1.00 0.00 N ATOM 904 CA ASP A 58 5.215 12.111 6.714 1.00 0.00 C ATOM 905 C ASP A 58 6.546 11.909 7.426 1.00 0.00 C ATOM 906 O ASP A 58 7.365 12.825 7.512 1.00 0.00 O ATOM 907 CB ASP A 58 4.098 12.285 7.749 1.00 0.00 C ATOM 908 CG ASP A 58 4.448 13.289 8.835 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.032 12.887 9.863 1.00 0.00 O ATOM 910 OD2 ASP A 58 4.119 14.478 8.681 1.00 0.00 O ATOM 0 H ASP A 58 4.004 10.558 6.010 1.00 0.00 H new ATOM 0 HA ASP A 58 5.279 13.008 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.188 12.607 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.882 11.321 8.209 1.00 0.00 H new ATOM 915 N GLU A 59 6.758 10.700 7.924 1.00 0.00 N ATOM 916 CA GLU A 59 7.975 10.388 8.652 1.00 0.00 C ATOM 917 C GLU A 59 9.028 9.779 7.724 1.00 0.00 C ATOM 918 O GLU A 59 10.204 10.139 7.792 1.00 0.00 O ATOM 919 CB GLU A 59 7.664 9.434 9.807 1.00 0.00 C ATOM 920 CG GLU A 59 8.841 9.209 10.744 1.00 0.00 C ATOM 921 CD GLU A 59 8.474 8.400 11.968 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.703 8.905 12.809 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.965 7.260 12.105 1.00 0.00 O ATOM 0 H GLU A 59 6.104 9.922 7.837 1.00 0.00 H new ATOM 0 HA GLU A 59 8.381 11.315 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.825 9.831 10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.346 8.474 9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.637 8.698 10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.238 10.174 11.058 1.00 0.00 H new ATOM 930 N LEU A 60 8.602 8.877 6.846 1.00 0.00 N ATOM 931 CA LEU A 60 9.531 8.194 5.952 1.00 0.00 C ATOM 932 C LEU A 60 9.321 8.620 4.498 1.00 0.00 C ATOM 933 O LEU A 60 8.809 7.852 3.673 1.00 0.00 O ATOM 934 CB LEU A 60 9.394 6.671 6.073 1.00 0.00 C ATOM 935 CG LEU A 60 9.951 6.026 7.352 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.346 6.546 7.662 1.00 0.00 C ATOM 937 CD2 LEU A 60 9.012 6.242 8.530 1.00 0.00 C ATOM 0 H LEU A 60 7.626 8.603 6.734 1.00 0.00 H new ATOM 0 HA LEU A 60 10.538 8.481 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.337 6.418 5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.893 6.216 5.218 1.00 0.00 H new ATOM 0 HG LEU A 60 10.025 4.952 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.717 6.074 8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.014 6.312 6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.309 7.626 7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.432 5.775 9.421 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.888 7.311 8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.043 5.795 8.309 1.00 0.00 H new ATOM 949 N GLY A 61 9.744 9.838 4.187 1.00 0.00 N ATOM 950 CA GLY A 61 9.622 10.352 2.836 1.00 0.00 C ATOM 951 C GLY A 61 10.579 9.672 1.878 1.00 0.00 C ATOM 952 O GLY A 61 10.251 9.445 0.712 1.00 0.00 O ATOM 0 H GLY A 61 10.172 10.483 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.599 10.212 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.814 11.425 2.838 1.00 0.00 H new ATOM 956 N ASP A 62 11.760 9.322 2.382 1.00 0.00 N ATOM 957 CA ASP A 62 12.779 8.652 1.575 1.00 0.00 C ATOM 958 C ASP A 62 12.308 7.271 1.162 1.00 0.00 C ATOM 959 O ASP A 62 12.723 6.732 0.139 1.00 0.00 O ATOM 960 CB ASP A 62 14.095 8.534 2.343 1.00 0.00 C ATOM 961 CG ASP A 62 14.684 9.878 2.708 1.00 0.00 C ATOM 962 OD1 ASP A 62 15.304 10.515 1.835 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.533 10.306 3.872 1.00 0.00 O ATOM 0 H ASP A 62 12.036 9.492 3.349 1.00 0.00 H new ATOM 0 HA ASP A 62 12.946 9.256 0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.929 7.956 3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.814 7.979 1.740 1.00 0.00 H new ATOM 968 N VAL A 63 11.432 6.709 1.965 1.00 0.00 N ATOM 969 CA VAL A 63 10.839 5.425 1.654 1.00 0.00 C ATOM 970 C VAL A 63 9.866 5.579 0.502 1.00 0.00 C ATOM 971 O VAL A 63 9.973 4.879 -0.492 1.00 0.00 O ATOM 972 CB VAL A 63 10.112 4.824 2.867 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.447 3.509 2.496 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.077 4.620 4.023 1.00 0.00 C ATOM 0 H VAL A 63 11.113 7.122 2.841 1.00 0.00 H new ATOM 0 HA VAL A 63 11.643 4.744 1.376 1.00 0.00 H new ATOM 0 HB VAL A 63 9.339 5.525 3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.938 3.100 3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.722 3.680 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.203 2.803 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.543 4.194 4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.873 3.941 3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.509 5.579 4.310 1.00 0.00 H new ATOM 984 N ALA A 64 8.938 6.519 0.629 1.00 0.00 N ATOM 985 CA ALA A 64 7.965 6.780 -0.421 1.00 0.00 C ATOM 986 C ALA A 64 8.649 7.088 -1.748 1.00 0.00 C ATOM 987 O ALA A 64 8.158 6.710 -2.812 1.00 0.00 O ATOM 988 CB ALA A 64 7.063 7.928 -0.016 1.00 0.00 C ATOM 0 H ALA A 64 8.840 7.114 1.452 1.00 0.00 H new ATOM 0 HA ALA A 64 7.364 5.881 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.337 8.117 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.538 7.671 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.664 8.823 0.147 1.00 0.00 H new ATOM 994 N GLN A 65 9.791 7.753 -1.675 1.00 0.00 N ATOM 995 CA GLN A 65 10.548 8.112 -2.871 1.00 0.00 C ATOM 996 C GLN A 65 11.102 6.855 -3.514 1.00 0.00 C ATOM 997 O GLN A 65 11.122 6.714 -4.735 1.00 0.00 O ATOM 998 CB GLN A 65 11.654 9.104 -2.488 1.00 0.00 C ATOM 999 CG GLN A 65 13.043 8.519 -2.242 1.00 0.00 C ATOM 1000 CD GLN A 65 13.908 8.452 -3.490 1.00 0.00 C ATOM 1001 OE1 GLN A 65 13.940 7.439 -4.193 1.00 0.00 O ATOM 1002 NE2 GLN A 65 14.613 9.534 -3.777 1.00 0.00 N ATOM 0 H GLN A 65 10.217 8.057 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 65 9.903 8.598 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.733 9.848 -3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.342 9.631 -1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.553 9.121 -1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.937 7.515 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.560 10.353 -3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.209 9.550 -4.604 1.00 0.00 H new ATOM 1011 N LYS A 66 11.515 5.938 -2.659 1.00 0.00 N ATOM 1012 CA LYS A 66 11.987 4.633 -3.064 1.00 0.00 C ATOM 1013 C LYS A 66 10.887 3.856 -3.806 1.00 0.00 C ATOM 1014 O LYS A 66 11.170 2.970 -4.612 1.00 0.00 O ATOM 1015 CB LYS A 66 12.461 3.890 -1.799 1.00 0.00 C ATOM 1016 CG LYS A 66 12.149 2.409 -1.765 1.00 0.00 C ATOM 1017 CD LYS A 66 13.066 1.597 -2.668 1.00 0.00 C ATOM 1018 CE LYS A 66 12.764 0.110 -2.575 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.629 -0.697 -3.478 1.00 0.00 N ATOM 0 H LYS A 66 11.531 6.084 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 66 12.818 4.729 -3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.539 4.020 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.005 4.361 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.239 2.046 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.114 2.252 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.950 1.929 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.105 1.777 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.904 -0.224 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.718 -0.063 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.447 -1.709 -3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.417 -0.458 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.628 -0.489 -3.278 1.00 0.00 H new ATOM 1033 N ASN A 67 9.636 4.224 -3.566 1.00 0.00 N ATOM 1034 CA ASN A 67 8.507 3.450 -4.055 1.00 0.00 C ATOM 1035 C ASN A 67 7.810 4.138 -5.210 1.00 0.00 C ATOM 1036 O ASN A 67 6.991 3.525 -5.894 1.00 0.00 O ATOM 1037 CB ASN A 67 7.498 3.295 -2.942 1.00 0.00 C ATOM 1038 CG ASN A 67 8.111 2.844 -1.653 1.00 0.00 C ATOM 1039 OD1 ASN A 67 9.001 1.998 -1.620 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.671 3.464 -0.584 1.00 0.00 N ATOM 0 H ASN A 67 9.379 5.056 -3.034 1.00 0.00 H new ATOM 0 HA ASN A 67 8.890 2.487 -4.393 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.992 4.247 -2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.737 2.576 -3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.071 3.251 0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.929 4.159 -0.667 1.00 0.00 H new ATOM 1047 N GLU A 68 8.138 5.415 -5.398 1.00 0.00 N ATOM 1048 CA GLU A 68 7.504 6.266 -6.399 1.00 0.00 C ATOM 1049 C GLU A 68 6.146 6.776 -5.901 1.00 0.00 C ATOM 1050 O GLU A 68 5.235 7.051 -6.682 1.00 0.00 O ATOM 1051 CB GLU A 68 7.355 5.541 -7.742 1.00 0.00 C ATOM 1052 CG GLU A 68 6.976 6.456 -8.900 1.00 0.00 C ATOM 1053 CD GLU A 68 6.808 5.716 -10.207 1.00 0.00 C ATOM 1054 OE1 GLU A 68 7.786 5.096 -10.674 1.00 0.00 O ATOM 1055 OE2 GLU A 68 5.705 5.769 -10.790 1.00 0.00 O ATOM 0 H GLU A 68 8.858 5.891 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 68 8.155 7.125 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.294 5.041 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.596 4.765 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.047 6.972 -8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.744 7.221 -9.018 1.00 0.00 H new ATOM 1062 N VAL A 69 6.006 6.894 -4.590 1.00 0.00 N ATOM 1063 CA VAL A 69 4.842 7.552 -4.019 1.00 0.00 C ATOM 1064 C VAL A 69 5.239 8.924 -3.480 1.00 0.00 C ATOM 1065 O VAL A 69 6.205 9.056 -2.729 1.00 0.00 O ATOM 1066 CB VAL A 69 4.113 6.701 -2.931 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.057 5.780 -2.168 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.351 7.593 -1.958 1.00 0.00 C ATOM 0 H VAL A 69 6.678 6.546 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 69 4.116 7.673 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 69 3.405 6.067 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.493 5.215 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.534 5.090 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.820 6.375 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.853 6.975 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.048 8.270 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.607 8.174 -2.503 1.00 0.00 H new ATOM 1078 N SER A 70 4.522 9.948 -3.912 1.00 0.00 N ATOM 1079 CA SER A 70 4.801 11.310 -3.489 1.00 0.00 C ATOM 1080 C SER A 70 3.542 11.958 -2.930 1.00 0.00 C ATOM 1081 O SER A 70 3.590 12.677 -1.931 1.00 0.00 O ATOM 1082 CB SER A 70 5.342 12.123 -4.663 1.00 0.00 C ATOM 1083 OG SER A 70 6.486 11.499 -5.227 1.00 0.00 O ATOM 0 H SER A 70 3.738 9.861 -4.559 1.00 0.00 H new ATOM 0 HA SER A 70 5.556 11.286 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.569 12.230 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.599 13.128 -4.327 1.00 0.00 H new ATOM 0 HG SER A 70 6.815 12.036 -5.978 1.00 0.00 H new ATOM 1089 N ALA A 71 2.416 11.694 -3.575 1.00 0.00 N ATOM 1090 CA ALA A 71 1.138 12.192 -3.105 1.00 0.00 C ATOM 1091 C ALA A 71 0.525 11.190 -2.139 1.00 0.00 C ATOM 1092 O ALA A 71 0.909 10.022 -2.123 1.00 0.00 O ATOM 1093 CB ALA A 71 0.203 12.450 -4.276 1.00 0.00 C ATOM 0 H ALA A 71 2.364 11.136 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 71 1.293 13.137 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.751 12.823 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.648 13.190 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.041 11.522 -4.824 1.00 0.00 H new ATOM 1099 N MET A 72 -0.417 11.639 -1.331 1.00 0.00 N ATOM 1100 CA MET A 72 -1.051 10.763 -0.362 1.00 0.00 C ATOM 1101 C MET A 72 -2.532 11.090 -0.222 1.00 0.00 C ATOM 1102 O MET A 72 -2.945 12.232 -0.437 1.00 0.00 O ATOM 1103 CB MET A 72 -0.358 10.860 1.004 1.00 0.00 C ATOM 1104 CG MET A 72 -0.447 12.231 1.658 1.00 0.00 C ATOM 1105 SD MET A 72 0.603 13.468 0.872 1.00 0.00 S ATOM 1106 CE MET A 72 2.225 12.741 1.104 1.00 0.00 C ATOM 0 H MET A 72 -0.759 12.600 -1.325 1.00 0.00 H new ATOM 0 HA MET A 72 -0.953 9.741 -0.727 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.798 10.122 1.674 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.693 10.595 0.884 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.482 12.572 1.630 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.169 12.143 2.708 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.987 13.426 0.732 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.391 12.554 2.165 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.284 11.801 0.556 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.347 10.086 0.131 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.870 8.715 0.311 1.00 0.00 C ATOM 1118 C PRO A 73 -2.670 7.969 -1.016 1.00 0.00 C ATOM 1119 O PRO A 73 -3.376 8.209 -1.996 1.00 0.00 O ATOM 1120 CB PRO A 73 -3.969 8.067 1.145 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.217 8.834 0.843 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.791 10.217 0.406 1.00 0.00 C ATOM 0 HA PRO A 73 -1.888 8.687 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.085 7.014 0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.731 8.111 2.208 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.792 8.342 0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.859 8.888 1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.337 10.539 -0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.982 10.956 1.184 1.00 0.00 H new ATOM 1130 N THR A 74 -1.697 7.067 -1.021 1.00 0.00 N ATOM 1131 CA THR A 74 -1.329 6.302 -2.207 1.00 0.00 C ATOM 1132 C THR A 74 -1.230 4.819 -1.882 1.00 0.00 C ATOM 1133 O THR A 74 -0.679 4.424 -0.855 1.00 0.00 O ATOM 1134 CB THR A 74 0.018 6.793 -2.800 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.165 8.047 -3.471 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.625 5.776 -3.764 1.00 0.00 C ATOM 0 H THR A 74 -1.137 6.844 -0.198 1.00 0.00 H new ATOM 0 HA THR A 74 -2.113 6.456 -2.949 1.00 0.00 H new ATOM 0 HB THR A 74 0.712 6.918 -1.969 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.069 8.780 -2.864 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.567 6.162 -4.155 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.807 4.839 -3.237 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.065 5.600 -4.589 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.785 4.011 -2.761 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.728 2.574 -2.632 1.00 0.00 C ATOM 1146 C LEU A 75 -0.745 2.009 -3.642 1.00 0.00 C ATOM 1147 O LEU A 75 -0.804 2.351 -4.826 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.098 1.964 -2.893 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.245 2.481 -2.028 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.014 3.596 -2.732 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.168 1.336 -1.681 1.00 0.00 C ATOM 0 H LEU A 75 -2.289 4.335 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.408 2.331 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.355 2.134 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.024 0.885 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.828 2.901 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.824 3.942 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.339 4.426 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.429 3.218 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.987 1.704 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.570 0.902 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.613 0.575 -1.132 1.00 0.00 H new ATOM 1163 N LEU A 76 0.154 1.157 -3.192 1.00 0.00 N ATOM 1164 CA LEU A 76 1.089 0.513 -4.091 1.00 0.00 C ATOM 1165 C LEU A 76 1.011 -1.001 -3.959 1.00 0.00 C ATOM 1166 O LEU A 76 1.334 -1.565 -2.915 1.00 0.00 O ATOM 1167 CB LEU A 76 2.512 1.009 -3.830 1.00 0.00 C ATOM 1168 CG LEU A 76 3.123 1.824 -4.974 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.479 2.381 -4.572 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.248 0.965 -6.225 1.00 0.00 C ATOM 0 H LEU A 76 0.257 0.895 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 76 0.817 0.776 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.510 1.620 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.152 0.149 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 76 2.462 2.663 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.896 2.956 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.363 3.027 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.152 1.559 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.684 1.556 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.889 0.109 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.261 0.614 -6.526 1.00 0.00 H new ATOM 1182 N LEU A 77 0.555 -1.646 -5.021 1.00 0.00 N ATOM 1183 CA LEU A 77 0.458 -3.096 -5.073 1.00 0.00 C ATOM 1184 C LEU A 77 1.686 -3.646 -5.779 1.00 0.00 C ATOM 1185 O LEU A 77 2.049 -3.173 -6.861 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.792 -3.540 -5.851 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.170 -3.397 -5.176 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.244 -2.202 -4.233 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.218 -3.262 -6.258 1.00 0.00 C ATOM 0 H LEU A 77 0.242 -1.179 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 77 0.390 -3.474 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.820 -2.976 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.661 -4.589 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.344 -4.285 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.237 -2.152 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.498 -2.313 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.050 -1.286 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.202 -3.160 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.005 -2.380 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.203 -4.149 -6.892 1.00 0.00 H new ATOM 1201 N PHE A 78 2.322 -4.636 -5.185 1.00 0.00 N ATOM 1202 CA PHE A 78 3.464 -5.285 -5.810 1.00 0.00 C ATOM 1203 C PHE A 78 3.276 -6.788 -5.834 1.00 0.00 C ATOM 1204 O PHE A 78 2.498 -7.329 -5.049 1.00 0.00 O ATOM 1205 CB PHE A 78 4.760 -4.959 -5.073 1.00 0.00 C ATOM 1206 CG PHE A 78 5.286 -3.574 -5.325 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.792 -2.489 -4.627 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.289 -3.363 -6.256 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.287 -1.224 -4.854 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.788 -2.099 -6.487 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.286 -1.027 -5.784 1.00 0.00 C ATOM 0 H PHE A 78 2.070 -5.011 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 78 3.532 -4.907 -6.830 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.596 -5.083 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.521 -5.682 -5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.010 -2.634 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.686 -4.201 -6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.892 -0.384 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.570 -1.950 -7.217 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.674 -0.034 -5.960 1.00 0.00 H new ATOM 1221 N LYS A 79 3.960 -7.463 -6.747 1.00 0.00 N ATOM 1222 CA LYS A 79 4.024 -8.911 -6.704 1.00 0.00 C ATOM 1223 C LYS A 79 5.422 -9.383 -7.102 1.00 0.00 C ATOM 1224 O LYS A 79 5.933 -9.007 -8.159 1.00 0.00 O ATOM 1225 CB LYS A 79 2.944 -9.524 -7.600 1.00 0.00 C ATOM 1226 CG LYS A 79 2.765 -11.022 -7.413 1.00 0.00 C ATOM 1227 CD LYS A 79 1.438 -11.510 -7.982 1.00 0.00 C ATOM 1228 CE LYS A 79 1.338 -11.279 -9.481 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.026 -11.724 -10.020 1.00 0.00 N ATOM 0 H LYS A 79 4.472 -7.034 -7.518 1.00 0.00 H new ATOM 0 HA LYS A 79 3.832 -9.248 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.995 -9.027 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.195 -9.325 -8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.585 -11.549 -7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.816 -11.264 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.323 -12.573 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.618 -10.995 -7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.479 -10.220 -9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.140 -11.817 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.008 -11.582 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.113 -12.732 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.736 -11.169 -9.581 1.00 0.00 H new ATOM 1243 N ASN A 80 6.031 -10.180 -6.218 1.00 0.00 N ATOM 1244 CA ASN A 80 7.386 -10.742 -6.391 1.00 0.00 C ATOM 1245 C ASN A 80 8.429 -9.710 -6.842 1.00 0.00 C ATOM 1246 O ASN A 80 9.113 -9.896 -7.849 1.00 0.00 O ATOM 1247 CB ASN A 80 7.403 -11.979 -7.319 1.00 0.00 C ATOM 1248 CG ASN A 80 6.803 -11.763 -8.703 1.00 0.00 C ATOM 1249 OD1 ASN A 80 7.477 -11.300 -9.625 1.00 0.00 O ATOM 1250 ND2 ASN A 80 5.545 -12.139 -8.873 1.00 0.00 N ATOM 0 H ASN A 80 5.591 -10.462 -5.342 1.00 0.00 H new ATOM 0 HA ASN A 80 7.678 -11.067 -5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.435 -12.311 -7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.862 -12.788 -6.829 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.105 -12.049 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.016 -12.518 -8.088 1.00 0.00 H new ATOM 1257 N GLY A 81 8.562 -8.628 -6.079 1.00 0.00 N ATOM 1258 CA GLY A 81 9.614 -7.652 -6.336 1.00 0.00 C ATOM 1259 C GLY A 81 9.317 -6.775 -7.531 1.00 0.00 C ATOM 1260 O GLY A 81 10.136 -5.945 -7.924 1.00 0.00 O ATOM 0 H GLY A 81 7.960 -8.407 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.746 -7.025 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.557 -8.174 -6.499 1.00 0.00 H new ATOM 1264 N LYS A 82 8.149 -6.961 -8.110 1.00 0.00 N ATOM 1265 CA LYS A 82 7.716 -6.148 -9.221 1.00 0.00 C ATOM 1266 C LYS A 82 6.396 -5.517 -8.846 1.00 0.00 C ATOM 1267 O LYS A 82 5.735 -5.987 -7.931 1.00 0.00 O ATOM 1268 CB LYS A 82 7.557 -6.991 -10.489 1.00 0.00 C ATOM 1269 CG LYS A 82 8.735 -7.911 -10.775 1.00 0.00 C ATOM 1270 CD LYS A 82 8.633 -8.532 -12.160 1.00 0.00 C ATOM 1271 CE LYS A 82 7.357 -9.343 -12.326 1.00 0.00 C ATOM 1272 NZ LYS A 82 7.226 -9.887 -13.703 1.00 0.00 N ATOM 0 H LYS A 82 7.479 -7.675 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 82 8.462 -5.381 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.653 -7.593 -10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.415 -6.325 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.665 -7.349 -10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.773 -8.699 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.664 -7.745 -12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.496 -9.174 -12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.352 -10.164 -11.609 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.495 -8.716 -12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.345 -10.434 -13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.206 -9.103 -14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.036 -10.506 -13.910 1.00 0.00 H new ATOM 1286 N GLU A 83 6.014 -4.460 -9.525 1.00 0.00 N ATOM 1287 CA GLU A 83 4.748 -3.808 -9.250 1.00 0.00 C ATOM 1288 C GLU A 83 3.603 -4.702 -9.728 1.00 0.00 C ATOM 1289 O GLU A 83 3.834 -5.838 -10.156 1.00 0.00 O ATOM 1290 CB GLU A 83 4.725 -2.450 -9.966 1.00 0.00 C ATOM 1291 CG GLU A 83 3.638 -1.497 -9.496 1.00 0.00 C ATOM 1292 CD GLU A 83 3.802 -0.116 -10.089 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.534 0.706 -9.503 1.00 0.00 O ATOM 1294 OE2 GLU A 83 3.217 0.142 -11.163 1.00 0.00 O ATOM 0 H GLU A 83 6.560 -4.031 -10.272 1.00 0.00 H new ATOM 0 HA GLU A 83 4.627 -3.643 -8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.693 -1.968 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.600 -2.621 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.662 -1.896 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.660 -1.430 -8.408 1.00 0.00 H new ATOM 1301 N VAL A 84 2.382 -4.223 -9.558 1.00 0.00 N ATOM 1302 CA VAL A 84 1.213 -4.775 -10.231 1.00 0.00 C ATOM 1303 C VAL A 84 0.158 -3.691 -10.399 1.00 0.00 C ATOM 1304 O VAL A 84 -0.628 -3.724 -11.347 1.00 0.00 O ATOM 1305 CB VAL A 84 0.584 -5.984 -9.508 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.275 -7.285 -9.883 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.633 -5.781 -8.020 1.00 0.00 C ATOM 0 H VAL A 84 2.170 -3.435 -8.946 1.00 0.00 H new ATOM 0 HA VAL A 84 1.565 -5.137 -11.197 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.456 -6.057 -9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.804 -8.113 -9.354 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.190 -7.446 -10.958 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.328 -7.230 -9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.186 -6.641 -7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.670 -5.675 -7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.078 -4.880 -7.757 1.00 0.00 H new ATOM 1317 N ALA A 85 0.154 -2.727 -9.475 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.749 -1.585 -9.562 1.00 0.00 C ATOM 1319 C ALA A 85 -0.388 -0.504 -8.548 1.00 0.00 C ATOM 1320 O ALA A 85 0.160 -0.795 -7.493 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.190 -2.029 -9.368 1.00 0.00 C ATOM 0 H ALA A 85 0.767 -2.718 -8.660 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.641 -1.156 -10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.850 -1.164 -9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.456 -2.750 -10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.299 -2.492 -8.387 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.686 0.746 -8.886 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.469 1.867 -7.975 1.00 0.00 C ATOM 1329 C LYS A 86 -1.564 2.917 -8.158 1.00 0.00 C ATOM 1330 O LYS A 86 -1.827 3.366 -9.276 1.00 0.00 O ATOM 1331 CB LYS A 86 0.922 2.475 -8.197 1.00 0.00 C ATOM 1332 CG LYS A 86 1.154 3.031 -9.594 1.00 0.00 C ATOM 1333 CD LYS A 86 2.630 3.316 -9.852 1.00 0.00 C ATOM 1334 CE LYS A 86 3.216 4.292 -8.843 1.00 0.00 C ATOM 1335 NZ LYS A 86 2.557 5.621 -8.904 1.00 0.00 N ATOM 0 H LYS A 86 -1.081 1.010 -9.789 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.517 1.502 -6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.075 3.274 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.674 1.713 -7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.786 2.320 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.579 3.948 -9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.190 2.381 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.749 3.721 -10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.111 3.881 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.284 4.408 -9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.053 6.283 -8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.590 5.980 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.566 5.531 -8.602 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.219 3.289 -7.063 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.367 4.192 -7.119 1.00 0.00 C ATOM 1351 C VAL A 87 -3.243 5.294 -6.079 1.00 0.00 C ATOM 1352 O VAL A 87 -2.930 5.035 -4.923 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.700 3.437 -6.907 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.884 4.384 -7.042 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.830 2.280 -7.890 1.00 0.00 C ATOM 0 H VAL A 87 -1.975 2.979 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.373 4.634 -8.115 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.699 3.030 -5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.811 3.832 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.805 5.174 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.885 4.826 -8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.775 1.764 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.803 2.664 -8.910 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.005 1.583 -7.743 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.491 6.523 -6.495 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.434 7.658 -5.589 1.00 0.00 C ATOM 1367 C VAL A 88 -4.855 8.072 -5.166 1.00 0.00 C ATOM 1368 O VAL A 88 -5.314 9.193 -5.405 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.652 8.834 -6.235 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -3.284 9.258 -7.553 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -2.523 10.014 -5.276 1.00 0.00 C ATOM 0 H VAL A 88 -3.734 6.762 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.893 7.369 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.644 8.478 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.714 10.083 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.280 8.416 -8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.311 9.579 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.970 10.818 -5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.516 10.370 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.990 9.697 -4.379 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.567 7.139 -4.549 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.903 7.429 -4.075 1.00 0.00 C ATOM 1383 C GLY A 89 -7.630 6.191 -3.597 1.00 0.00 C ATOM 1384 O GLY A 89 -7.675 5.177 -4.298 1.00 0.00 O ATOM 0 H GLY A 89 -5.243 6.189 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.847 8.151 -3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.476 7.896 -4.876 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.182 6.274 -2.398 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.958 5.197 -1.818 1.00 0.00 C ATOM 1390 C ALA A 90 -10.232 4.931 -2.599 1.00 0.00 C ATOM 1391 O ALA A 90 -11.179 5.716 -2.547 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.307 5.549 -0.393 1.00 0.00 C ATOM 0 H ALA A 90 -8.102 7.096 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.353 4.291 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.891 4.742 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.392 5.691 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.891 6.469 -0.378 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.253 3.843 -3.341 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.457 3.449 -4.042 1.00 0.00 C ATOM 1400 C ASN A 91 -11.940 2.086 -3.563 1.00 0.00 C ATOM 1401 O ASN A 91 -11.553 1.060 -4.117 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.214 3.439 -5.545 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.312 4.167 -6.296 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.652 3.812 -7.422 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -12.871 5.200 -5.677 1.00 0.00 N ATOM 0 H ASN A 91 -9.456 3.220 -3.474 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.238 4.178 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.253 3.907 -5.761 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.154 2.409 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.611 5.730 -6.137 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.560 5.463 -4.742 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.793 2.077 -2.519 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.269 0.861 -1.847 1.00 0.00 C ATOM 1414 C PRO A 92 -13.487 -0.343 -2.761 1.00 0.00 C ATOM 1415 O PRO A 92 -12.836 -1.376 -2.599 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.592 1.322 -1.248 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.349 2.743 -0.877 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.349 3.285 -1.873 1.00 0.00 C ATOM 0 HA PRO A 92 -12.531 0.493 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.407 1.232 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.865 0.724 -0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.276 3.315 -0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -13.963 2.817 0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.826 3.942 -2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.571 3.867 -1.380 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.382 -0.208 -3.725 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.776 -1.340 -4.549 1.00 0.00 C ATOM 1428 C ALA A 93 -13.765 -1.614 -5.654 1.00 0.00 C ATOM 1429 O ALA A 93 -13.342 -2.757 -5.845 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.162 -1.111 -5.133 1.00 0.00 C ATOM 0 H ALA A 93 -14.848 0.669 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.804 -2.222 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.444 -1.966 -5.747 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.883 -0.992 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.154 -0.210 -5.747 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.360 -0.567 -6.355 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.459 -0.706 -7.492 1.00 0.00 C ATOM 1438 C ALA A 94 -11.094 -1.221 -7.066 1.00 0.00 C ATOM 1439 O ALA A 94 -10.418 -1.910 -7.828 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.310 0.620 -8.216 1.00 0.00 C ATOM 0 H ALA A 94 -13.641 0.393 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.898 -1.438 -8.170 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.634 0.498 -9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.285 0.950 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.904 1.365 -7.531 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.685 -0.901 -5.849 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.381 -1.331 -5.382 1.00 0.00 C ATOM 1448 C ILE A 95 -9.475 -2.720 -4.762 1.00 0.00 C ATOM 1449 O ILE A 95 -8.545 -3.509 -4.867 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.737 -0.337 -4.394 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.634 1.057 -5.022 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.357 -0.824 -3.979 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.880 1.084 -6.334 1.00 0.00 C ATOM 0 H ILE A 95 -11.227 -0.355 -5.179 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.728 -1.366 -6.254 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.371 -0.274 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.639 1.447 -5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.141 1.727 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.915 -0.113 -3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.444 -1.798 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.722 -0.911 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.850 2.105 -6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.863 0.725 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.383 0.441 -7.056 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.607 -3.033 -4.142 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.862 -4.405 -3.710 1.00 0.00 C ATOM 1467 C LYS A 96 -10.848 -5.324 -4.928 1.00 0.00 C ATOM 1468 O LYS A 96 -10.303 -6.428 -4.889 1.00 0.00 O ATOM 1469 CB LYS A 96 -12.191 -4.504 -2.944 1.00 0.00 C ATOM 1470 CG LYS A 96 -12.873 -5.862 -3.036 1.00 0.00 C ATOM 1471 CD LYS A 96 -14.304 -5.801 -2.524 1.00 0.00 C ATOM 1472 CE LYS A 96 -15.259 -5.249 -3.572 1.00 0.00 C ATOM 1473 NZ LYS A 96 -15.568 -6.253 -4.625 1.00 0.00 N ATOM 0 H LYS A 96 -11.352 -2.370 -3.929 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.076 -4.719 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.009 -4.273 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.872 -3.743 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.870 -6.203 -4.071 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.309 -6.594 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.627 -6.799 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.344 -5.176 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.184 -4.933 -3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.820 -4.364 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.582 -6.218 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.015 -6.041 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.323 -7.203 -4.281 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.418 -4.836 -6.023 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.360 -5.540 -7.293 1.00 0.00 C ATOM 1489 C GLN A 97 -9.938 -5.550 -7.837 1.00 0.00 C ATOM 1490 O GLN A 97 -9.535 -6.486 -8.539 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.316 -4.903 -8.305 1.00 0.00 C ATOM 1492 CG GLN A 97 -13.778 -5.190 -8.013 1.00 0.00 C ATOM 1493 CD GLN A 97 -14.091 -6.676 -7.998 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -14.971 -7.124 -7.266 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -13.386 -7.446 -8.813 1.00 0.00 N ATOM 0 H GLN A 97 -11.927 -3.952 -6.054 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.671 -6.571 -7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -12.159 -3.824 -8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.074 -5.268 -9.303 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.044 -4.757 -7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.397 -4.700 -8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.664 -7.035 -9.405 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.565 -8.450 -8.849 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.167 -4.525 -7.494 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.792 -4.455 -7.922 1.00 0.00 C ATOM 1506 C ALA A 98 -7.021 -5.572 -7.269 1.00 0.00 C ATOM 1507 O ALA A 98 -6.544 -6.461 -7.953 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.179 -3.107 -7.592 1.00 0.00 C ATOM 0 H ALA A 98 -9.477 -3.739 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.749 -4.567 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.142 -3.087 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.739 -2.319 -8.096 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.215 -2.945 -6.515 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.970 -5.555 -5.942 1.00 0.00 N ATOM 1515 CA ILE A 99 -6.196 -6.528 -5.172 1.00 0.00 C ATOM 1516 C ILE A 99 -6.508 -7.951 -5.636 1.00 0.00 C ATOM 1517 O ILE A 99 -5.638 -8.815 -5.675 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.491 -6.439 -3.652 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.626 -4.988 -3.188 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.395 -7.144 -2.872 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.572 -4.072 -3.741 1.00 0.00 C ATOM 0 H ILE A 99 -7.462 -4.869 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.146 -6.291 -5.343 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.444 -6.933 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.608 -4.614 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.583 -4.959 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.608 -7.078 -1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.353 -8.192 -3.170 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.437 -6.669 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.735 -3.061 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.587 -4.420 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.627 -4.069 -4.830 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.764 -8.170 -6.014 1.00 0.00 N ATOM 1534 CA ALA A 100 -8.216 -9.479 -6.467 1.00 0.00 C ATOM 1535 C ALA A 100 -7.761 -9.778 -7.900 1.00 0.00 C ATOM 1536 O ALA A 100 -7.689 -10.940 -8.303 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.732 -9.569 -6.366 1.00 0.00 C ATOM 0 H ALA A 100 -8.489 -7.453 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.763 -10.229 -5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.062 -10.551 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.037 -9.423 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.185 -8.798 -6.989 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.449 -8.734 -8.662 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.046 -8.886 -10.048 1.00 0.00 C ATOM 1545 C ALA A 101 -5.542 -9.055 -10.150 1.00 0.00 C ATOM 1546 O ALA A 101 -5.041 -9.792 -11.002 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.483 -7.675 -10.856 1.00 0.00 C ATOM 0 H ALA A 101 -7.469 -7.768 -8.336 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.527 -9.778 -10.450 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.175 -7.800 -11.894 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.568 -7.578 -10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.020 -6.778 -10.446 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.825 -8.364 -9.278 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.372 -8.369 -9.315 1.00 0.00 C ATOM 1555 C ASN A 102 -2.774 -9.511 -8.502 1.00 0.00 C ATOM 1556 O ASN A 102 -1.613 -9.872 -8.702 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.793 -7.016 -8.874 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.568 -6.303 -7.795 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -3.474 -6.621 -6.620 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.324 -5.295 -8.189 1.00 0.00 N ATOM 0 H ASN A 102 -5.227 -7.792 -8.535 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.089 -8.535 -10.354 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.773 -7.173 -8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -2.732 -6.364 -9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.852 -4.755 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.380 -5.056 -9.179 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.559 -10.089 -7.603 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.097 -11.230 -6.822 1.00 0.00 C ATOM 1569 C ALA A 103 -3.047 -12.486 -7.683 1.00 0.00 C ATOM 1570 O ALA A 103 -1.953 -12.832 -8.175 1.00 0.00 O ATOM 1571 CB ALA A 103 -3.991 -11.453 -5.610 1.00 0.00 C ATOM 1572 OXT ALA A 103 -4.107 -13.116 -7.876 1.00 0.00 O ATOM 0 H ALA A 103 -4.512 -9.790 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.089 -11.012 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.627 -12.309 -5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.975 -10.565 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.012 -11.644 -5.941 1.00 0.00 H new