USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=27 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 46 GLN : amide:sc= -0.402 K(o=-0.41,f=-12!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 141:sc= -0.0112 (180deg=-3.16!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= -1.79 F(o=-4.9!,f=-1.8) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0729) USER MOD Single : A 7 THR OG1 : rot -58:sc= 0.752 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 17 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0.966) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.242 USER MOD Single : A 28 THR OG1 : rot -70:sc= 1.14 USER MOD Single : A 30 CYS SG : rot -90:sc= -2.06! USER MOD Single : A 33 CYS SG : rot -80:sc= 0.999 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -165:sc= -1.08 (180deg=-1.53) USER MOD Single : A 39 MET CE :methyl -146:sc= -3.58! (180deg=-6.28!) USER MOD Single : A 42 LYS NZ :NH3+ 169:sc=-6.25e-05 (180deg=-0.166) USER MOD Single : A 44 SER OG : rot 170:sc= 0.0787 USER MOD Single : A 47 TYR OH : rot -173:sc= -1.29! USER MOD Single : A 49 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.8!) USER MOD Single : A 53 TYR OH : rot 128:sc= 0.0365 USER MOD Single : A 54 LYS NZ :NH3+ 132:sc= 1.26 (180deg=0.0458) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.13) USER MOD Single : A 67 ASN :FLIP amide:sc= -5.62! C(o=-7!,f=-5.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -133:sc= -3.21! (180deg=-4.11!) USER MOD Single : A 74 THR OG1 : rot 119:sc= 0.59 USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 1.28 (180deg=0.596) USER MOD Single : A 80 ASN : amide:sc= -2.9! C(o=-2.9!,f=-4.7!) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.105) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.15) USER MOD Single : A 91 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.1!) USER MOD Single : A 97 GLN : amide:sc= 0.417 K(o=0.42,f=-0.17) USER MOD Single : A 102 ASN : amide:sc= -0.803 K(o=-0.8,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.349 -3.837 9.389 1.00 0.00 N ATOM 21 CA VAL A 2 -2.348 -3.711 8.347 1.00 0.00 C ATOM 22 C VAL A 2 -0.979 -3.348 8.948 1.00 0.00 C ATOM 23 O VAL A 2 -0.856 -2.393 9.714 1.00 0.00 O ATOM 24 CB VAL A 2 -2.821 -2.669 7.313 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.719 -2.320 6.333 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.047 -3.192 6.580 1.00 0.00 C ATOM 0 HA VAL A 2 -2.224 -4.667 7.838 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.085 -1.754 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.087 -1.583 5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.868 -1.907 6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.408 -3.218 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.378 -2.453 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.796 -4.120 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.847 -3.378 7.296 1.00 0.00 H new ATOM 36 N THR A 3 0.038 -4.125 8.579 1.00 0.00 N ATOM 37 CA THR A 3 1.348 -4.096 9.236 1.00 0.00 C ATOM 38 C THR A 3 2.141 -2.814 8.949 1.00 0.00 C ATOM 39 O THR A 3 2.066 -2.239 7.867 1.00 0.00 O ATOM 40 CB THR A 3 2.179 -5.320 8.802 1.00 0.00 C ATOM 41 OG1 THR A 3 1.360 -6.498 8.841 1.00 0.00 O ATOM 42 CG2 THR A 3 3.386 -5.519 9.710 1.00 0.00 C ATOM 0 H THR A 3 -0.022 -4.796 7.813 1.00 0.00 H new ATOM 0 HA THR A 3 1.158 -4.121 10.309 1.00 0.00 H new ATOM 0 HB THR A 3 2.535 -5.143 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.890 -7.274 8.563 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.951 -6.390 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.023 -4.635 9.668 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.049 -5.675 10.735 1.00 0.00 H new ATOM 50 N GLN A 4 2.894 -2.381 9.953 1.00 0.00 N ATOM 51 CA GLN A 4 3.698 -1.166 9.895 1.00 0.00 C ATOM 52 C GLN A 4 5.089 -1.412 9.316 1.00 0.00 C ATOM 53 O GLN A 4 5.728 -2.421 9.610 1.00 0.00 O ATOM 54 CB GLN A 4 3.841 -0.602 11.310 1.00 0.00 C ATOM 55 CG GLN A 4 2.705 0.297 11.729 1.00 0.00 C ATOM 56 CD GLN A 4 2.770 1.612 11.012 1.00 0.00 C ATOM 57 OE1 GLN A 4 2.290 1.613 9.794 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 3.298 2.600 11.526 1.00 0.00 N flip ATOM 0 H GLN A 4 2.964 -2.872 10.844 1.00 0.00 H new ATOM 0 HA GLN A 4 3.188 -0.462 9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.914 -1.430 12.015 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.775 -0.044 11.375 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.753 -0.190 11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.746 0.463 12.806 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.657 2.548 12.479 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.376 3.469 10.998 1.00 0.00 H new ATOM 67 N PHE A 5 5.537 -0.482 8.482 1.00 0.00 N ATOM 68 CA PHE A 5 6.933 -0.421 8.051 1.00 0.00 C ATOM 69 C PHE A 5 7.641 0.683 8.821 1.00 0.00 C ATOM 70 O PHE A 5 7.021 1.689 9.168 1.00 0.00 O ATOM 71 CB PHE A 5 7.047 -0.089 6.562 1.00 0.00 C ATOM 72 CG PHE A 5 6.709 -1.204 5.619 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.988 -2.521 5.938 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.130 -0.923 4.393 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.694 -3.537 5.054 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.837 -1.933 3.504 1.00 0.00 C ATOM 77 CZ PHE A 5 6.119 -3.242 3.834 1.00 0.00 C ATOM 0 H PHE A 5 4.948 0.250 8.085 1.00 0.00 H new ATOM 0 HA PHE A 5 7.382 -1.397 8.238 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.393 0.756 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.067 0.238 6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.441 -2.756 6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.906 0.100 4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.913 -4.562 5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.387 -1.700 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.890 -4.036 3.138 1.00 0.00 H new ATOM 87 N LYS A 6 8.924 0.509 9.085 1.00 0.00 N ATOM 88 CA LYS A 6 9.712 1.586 9.653 1.00 0.00 C ATOM 89 C LYS A 6 10.993 1.796 8.852 1.00 0.00 C ATOM 90 O LYS A 6 11.807 2.664 9.175 1.00 0.00 O ATOM 91 CB LYS A 6 10.013 1.333 11.135 1.00 0.00 C ATOM 92 CG LYS A 6 10.860 0.104 11.418 1.00 0.00 C ATOM 93 CD LYS A 6 10.998 -0.129 12.915 1.00 0.00 C ATOM 94 CE LYS A 6 11.828 -1.366 13.223 1.00 0.00 C ATOM 95 NZ LYS A 6 13.242 -1.216 12.790 1.00 0.00 N ATOM 0 H LYS A 6 9.436 -0.357 8.917 1.00 0.00 H new ATOM 0 HA LYS A 6 9.125 2.503 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.521 2.207 11.541 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.069 1.236 11.671 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.407 -0.770 10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.847 0.228 10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.461 0.743 13.377 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.008 -0.237 13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.797 -1.565 14.294 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.387 -2.230 12.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.799 -2.022 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.286 -1.188 11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.632 -0.333 13.177 1.00 0.00 H new ATOM 109 N THR A 7 11.154 1.010 7.792 1.00 0.00 N ATOM 110 CA THR A 7 12.286 1.167 6.884 1.00 0.00 C ATOM 111 C THR A 7 11.863 0.927 5.435 1.00 0.00 C ATOM 112 O THR A 7 10.867 0.248 5.167 1.00 0.00 O ATOM 113 CB THR A 7 13.436 0.199 7.238 1.00 0.00 C ATOM 114 OG1 THR A 7 12.930 -1.131 7.382 1.00 0.00 O ATOM 115 CG2 THR A 7 14.143 0.619 8.516 1.00 0.00 C ATOM 0 H THR A 7 10.514 0.257 7.540 1.00 0.00 H new ATOM 0 HA THR A 7 12.640 2.192 6.995 1.00 0.00 H new ATOM 0 HB THR A 7 14.160 0.230 6.424 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.238 -1.144 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.946 -0.084 8.735 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.560 1.618 8.390 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.431 0.625 9.341 1.00 0.00 H new ATOM 123 N ALA A 8 12.624 1.487 4.501 1.00 0.00 N ATOM 124 CA ALA A 8 12.379 1.261 3.084 1.00 0.00 C ATOM 125 C ALA A 8 12.779 -0.154 2.708 1.00 0.00 C ATOM 126 O ALA A 8 12.216 -0.750 1.789 1.00 0.00 O ATOM 127 CB ALA A 8 13.132 2.265 2.232 1.00 0.00 C ATOM 0 H ALA A 8 13.415 2.100 4.701 1.00 0.00 H new ATOM 0 HA ALA A 8 11.314 1.393 2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.930 2.072 1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.806 3.274 2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.202 2.172 2.420 1.00 0.00 H new ATOM 133 N SER A 9 13.761 -0.681 3.429 1.00 0.00 N ATOM 134 CA SER A 9 14.162 -2.068 3.277 1.00 0.00 C ATOM 135 C SER A 9 12.970 -2.980 3.551 1.00 0.00 C ATOM 136 O SER A 9 12.751 -3.957 2.839 1.00 0.00 O ATOM 137 CB SER A 9 15.315 -2.383 4.229 1.00 0.00 C ATOM 138 OG SER A 9 16.371 -1.450 4.066 1.00 0.00 O ATOM 0 H SER A 9 14.295 -0.163 4.127 1.00 0.00 H new ATOM 0 HA SER A 9 14.503 -2.238 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.959 -2.360 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.683 -3.392 4.041 1.00 0.00 H new ATOM 0 HG SER A 9 17.099 -1.668 4.685 1.00 0.00 H new ATOM 144 N GLU A 10 12.202 -2.642 4.589 1.00 0.00 N ATOM 145 CA GLU A 10 10.948 -3.308 4.888 1.00 0.00 C ATOM 146 C GLU A 10 9.981 -3.271 3.714 1.00 0.00 C ATOM 147 O GLU A 10 9.409 -4.303 3.361 1.00 0.00 O ATOM 148 CB GLU A 10 10.311 -2.661 6.102 1.00 0.00 C ATOM 149 CG GLU A 10 10.768 -3.284 7.391 1.00 0.00 C ATOM 150 CD GLU A 10 10.208 -2.589 8.596 1.00 0.00 C ATOM 151 OE1 GLU A 10 10.728 -1.518 8.944 1.00 0.00 O ATOM 152 OE2 GLU A 10 9.250 -3.107 9.201 1.00 0.00 O ATOM 0 H GLU A 10 12.439 -1.896 5.243 1.00 0.00 H new ATOM 0 HA GLU A 10 11.169 -4.356 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.550 -1.598 6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.227 -2.743 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.470 -4.332 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.857 -3.261 7.436 1.00 0.00 H new ATOM 159 N PHE A 11 9.790 -2.092 3.116 1.00 0.00 N ATOM 160 CA PHE A 11 8.899 -1.981 1.963 1.00 0.00 C ATOM 161 C PHE A 11 9.337 -2.965 0.892 1.00 0.00 C ATOM 162 O PHE A 11 8.588 -3.860 0.509 1.00 0.00 O ATOM 163 CB PHE A 11 8.896 -0.549 1.404 1.00 0.00 C ATOM 164 CG PHE A 11 7.873 -0.307 0.318 1.00 0.00 C ATOM 165 CD1 PHE A 11 8.070 -0.783 -0.969 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.719 0.414 0.585 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.136 -0.550 -1.963 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.784 0.652 -0.409 1.00 0.00 C ATOM 169 CZ PHE A 11 5.993 0.168 -1.680 1.00 0.00 C ATOM 0 H PHE A 11 10.231 -1.219 3.405 1.00 0.00 H new ATOM 0 HA PHE A 11 7.883 -2.217 2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.712 0.147 2.222 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.887 -0.323 1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.964 -1.343 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.547 0.795 1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.302 -0.930 -2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.891 1.217 -0.186 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.263 0.350 -2.455 1.00 0.00 H new ATOM 179 N ASP A 12 10.579 -2.815 0.471 1.00 0.00 N ATOM 180 CA ASP A 12 11.169 -3.645 -0.575 1.00 0.00 C ATOM 181 C ASP A 12 11.128 -5.129 -0.203 1.00 0.00 C ATOM 182 O ASP A 12 10.975 -5.990 -1.069 1.00 0.00 O ATOM 183 CB ASP A 12 12.613 -3.196 -0.799 1.00 0.00 C ATOM 184 CG ASP A 12 13.297 -3.931 -1.927 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.177 -3.481 -3.086 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.974 -4.943 -1.655 1.00 0.00 O ATOM 0 H ASP A 12 11.215 -2.111 0.845 1.00 0.00 H new ATOM 0 HA ASP A 12 10.590 -3.524 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.625 -2.127 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.180 -3.346 0.120 1.00 0.00 H new ATOM 191 N SER A 13 11.254 -5.413 1.088 1.00 0.00 N ATOM 192 CA SER A 13 11.233 -6.782 1.583 1.00 0.00 C ATOM 193 C SER A 13 9.867 -7.416 1.345 1.00 0.00 C ATOM 194 O SER A 13 9.774 -8.518 0.801 1.00 0.00 O ATOM 195 CB SER A 13 11.576 -6.809 3.076 1.00 0.00 C ATOM 196 OG SER A 13 11.695 -8.136 3.557 1.00 0.00 O ATOM 0 H SER A 13 11.373 -4.707 1.815 1.00 0.00 H new ATOM 0 HA SER A 13 11.981 -7.359 1.039 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.511 -6.274 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.803 -6.285 3.638 1.00 0.00 H new ATOM 0 HG SER A 13 11.916 -8.119 4.512 1.00 0.00 H new ATOM 202 N ALA A 14 8.811 -6.711 1.740 1.00 0.00 N ATOM 203 CA ALA A 14 7.457 -7.192 1.535 1.00 0.00 C ATOM 204 C ALA A 14 7.159 -7.324 0.052 1.00 0.00 C ATOM 205 O ALA A 14 6.428 -8.217 -0.371 1.00 0.00 O ATOM 206 CB ALA A 14 6.446 -6.268 2.196 1.00 0.00 C ATOM 0 H ALA A 14 8.871 -5.805 2.204 1.00 0.00 H new ATOM 0 HA ALA A 14 7.374 -8.175 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.439 -6.650 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.642 -6.221 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.531 -5.269 1.767 1.00 0.00 H new ATOM 212 N ILE A 15 7.744 -6.427 -0.734 1.00 0.00 N ATOM 213 CA ILE A 15 7.576 -6.440 -2.179 1.00 0.00 C ATOM 214 C ILE A 15 8.140 -7.718 -2.777 1.00 0.00 C ATOM 215 O ILE A 15 7.530 -8.327 -3.652 1.00 0.00 O ATOM 216 CB ILE A 15 8.289 -5.247 -2.840 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.806 -3.927 -2.268 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.087 -5.245 -4.338 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.302 -3.835 -2.102 1.00 0.00 C ATOM 0 H ILE A 15 8.343 -5.677 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 15 6.505 -6.376 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 15 9.352 -5.358 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.278 -3.770 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.139 -3.118 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.603 -4.390 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.489 -6.166 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.022 -5.178 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.041 -2.861 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.821 -3.958 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.962 -4.620 -1.426 1.00 0.00 H new ATOM 231 N ALA A 16 9.290 -8.139 -2.263 1.00 0.00 N ATOM 232 CA ALA A 16 10.020 -9.277 -2.811 1.00 0.00 C ATOM 233 C ALA A 16 9.404 -10.601 -2.372 1.00 0.00 C ATOM 234 O ALA A 16 10.012 -11.661 -2.522 1.00 0.00 O ATOM 235 CB ALA A 16 11.483 -9.207 -2.400 1.00 0.00 C ATOM 0 H ALA A 16 9.741 -7.704 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 16 9.953 -9.228 -3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.019 -10.061 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.923 -8.284 -2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.557 -9.225 -1.313 1.00 0.00 H new ATOM 241 N GLN A 17 8.203 -10.532 -1.828 1.00 0.00 N ATOM 242 CA GLN A 17 7.485 -11.713 -1.391 1.00 0.00 C ATOM 243 C GLN A 17 6.640 -12.262 -2.541 1.00 0.00 C ATOM 244 O GLN A 17 6.139 -11.501 -3.371 1.00 0.00 O ATOM 245 CB GLN A 17 6.614 -11.353 -0.189 1.00 0.00 C ATOM 246 CG GLN A 17 5.886 -12.529 0.427 1.00 0.00 C ATOM 247 CD GLN A 17 5.123 -12.149 1.679 1.00 0.00 C ATOM 248 OE1 GLN A 17 4.910 -12.978 2.563 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.722 -10.887 1.782 1.00 0.00 N ATOM 0 H GLN A 17 7.700 -9.658 -1.677 1.00 0.00 H new ATOM 0 HA GLN A 17 8.189 -12.489 -1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.240 -10.889 0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.881 -10.607 -0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.193 -12.946 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.605 -13.312 0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.916 -10.227 1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.220 -10.578 2.614 1.00 0.00 H new ATOM 258 N ASP A 18 6.482 -13.581 -2.582 1.00 0.00 N ATOM 259 CA ASP A 18 5.817 -14.256 -3.701 1.00 0.00 C ATOM 260 C ASP A 18 4.293 -14.211 -3.578 1.00 0.00 C ATOM 261 O ASP A 18 3.614 -15.234 -3.672 1.00 0.00 O ATOM 262 CB ASP A 18 6.294 -15.712 -3.800 1.00 0.00 C ATOM 263 CG ASP A 18 6.034 -16.508 -2.532 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.700 -16.240 -1.509 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.164 -17.404 -2.548 1.00 0.00 O ATOM 0 H ASP A 18 6.807 -14.212 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 18 6.088 -13.720 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.792 -16.197 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.362 -15.725 -4.018 1.00 0.00 H new ATOM 270 N LYS A 19 3.755 -13.020 -3.391 1.00 0.00 N ATOM 271 CA LYS A 19 2.316 -12.834 -3.310 1.00 0.00 C ATOM 272 C LYS A 19 1.969 -11.412 -3.713 1.00 0.00 C ATOM 273 O LYS A 19 2.857 -10.616 -4.020 1.00 0.00 O ATOM 274 CB LYS A 19 1.803 -13.108 -1.891 1.00 0.00 C ATOM 275 CG LYS A 19 2.271 -12.082 -0.871 1.00 0.00 C ATOM 276 CD LYS A 19 1.597 -12.267 0.480 1.00 0.00 C ATOM 277 CE LYS A 19 2.002 -13.565 1.153 1.00 0.00 C ATOM 278 NZ LYS A 19 1.555 -13.605 2.569 1.00 0.00 N ATOM 0 H LYS A 19 4.296 -12.161 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 19 1.837 -13.541 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.713 -13.126 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.134 -14.098 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.351 -12.159 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.063 -11.079 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.852 -11.429 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.515 -12.251 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.572 -14.407 0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.085 -13.677 1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.028 -14.390 3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.799 -12.708 3.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.525 -13.745 2.604 1.00 0.00 H new ATOM 292 N LEU A 20 0.685 -11.098 -3.719 1.00 0.00 N ATOM 293 CA LEU A 20 0.243 -9.744 -3.977 1.00 0.00 C ATOM 294 C LEU A 20 0.469 -8.895 -2.732 1.00 0.00 C ATOM 295 O LEU A 20 -0.078 -9.177 -1.661 1.00 0.00 O ATOM 296 CB LEU A 20 -1.237 -9.741 -4.386 1.00 0.00 C ATOM 297 CG LEU A 20 -1.748 -8.467 -5.076 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.792 -7.288 -4.124 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.877 -8.134 -6.269 1.00 0.00 C ATOM 0 H LEU A 20 -0.068 -11.765 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 20 0.819 -9.319 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.409 -10.585 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.839 -9.912 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.767 -8.662 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.159 -6.408 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.459 -7.517 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.790 -7.091 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.249 -7.229 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.149 -7.973 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.903 -8.960 -6.980 1.00 0.00 H new ATOM 311 N VAL A 21 1.292 -7.871 -2.875 1.00 0.00 N ATOM 312 CA VAL A 21 1.581 -6.964 -1.780 1.00 0.00 C ATOM 313 C VAL A 21 0.806 -5.670 -1.965 1.00 0.00 C ATOM 314 O VAL A 21 0.908 -5.032 -3.012 1.00 0.00 O ATOM 315 CB VAL A 21 3.083 -6.616 -1.703 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.524 -6.461 -0.257 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.931 -7.646 -2.438 1.00 0.00 C ATOM 0 H VAL A 21 1.774 -7.647 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 21 1.287 -7.467 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 21 3.234 -5.660 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.586 -6.216 -0.225 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.952 -5.661 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.351 -7.395 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.983 -7.371 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.781 -8.628 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.637 -7.677 -3.487 1.00 0.00 H new ATOM 327 N VAL A 22 0.023 -5.291 -0.968 1.00 0.00 N ATOM 328 CA VAL A 22 -0.681 -4.022 -1.011 1.00 0.00 C ATOM 329 C VAL A 22 -0.134 -3.117 0.065 1.00 0.00 C ATOM 330 O VAL A 22 -0.317 -3.373 1.259 1.00 0.00 O ATOM 331 CB VAL A 22 -2.196 -4.168 -0.799 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.905 -2.854 -1.089 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.757 -5.284 -1.654 1.00 0.00 C ATOM 0 H VAL A 22 -0.140 -5.841 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.525 -3.605 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.370 -4.427 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.977 -2.977 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.527 -2.081 -0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.720 -2.561 -2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.831 -5.367 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.570 -5.066 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.274 -6.224 -1.387 1.00 0.00 H new ATOM 343 N VAL A 23 0.551 -2.074 -0.344 1.00 0.00 N ATOM 344 CA VAL A 23 1.158 -1.185 0.613 1.00 0.00 C ATOM 345 C VAL A 23 0.426 0.141 0.661 1.00 0.00 C ATOM 346 O VAL A 23 0.172 0.781 -0.362 1.00 0.00 O ATOM 347 CB VAL A 23 2.651 -0.960 0.340 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.290 -0.265 1.528 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.340 -2.283 0.066 1.00 0.00 C ATOM 0 H VAL A 23 0.700 -1.824 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 23 1.076 -1.670 1.586 1.00 0.00 H new ATOM 0 HB VAL A 23 2.761 -0.327 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.350 -0.107 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.804 0.697 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.175 -0.885 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.399 -2.109 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.231 -2.936 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.886 -2.756 -0.805 1.00 0.00 H new ATOM 359 N ALA A 24 0.090 0.520 1.870 1.00 0.00 N ATOM 360 CA ALA A 24 -0.696 1.704 2.144 1.00 0.00 C ATOM 361 C ALA A 24 0.199 2.877 2.506 1.00 0.00 C ATOM 362 O ALA A 24 0.681 2.966 3.636 1.00 0.00 O ATOM 363 CB ALA A 24 -1.622 1.417 3.308 1.00 0.00 C ATOM 0 H ALA A 24 0.359 0.006 2.709 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.265 1.961 1.251 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.220 2.302 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.281 0.587 3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.032 1.154 4.186 1.00 0.00 H new ATOM 369 N PHE A 25 0.434 3.770 1.571 1.00 0.00 N ATOM 370 CA PHE A 25 1.259 4.933 1.857 1.00 0.00 C ATOM 371 C PHE A 25 0.433 6.203 1.923 1.00 0.00 C ATOM 372 O PHE A 25 -0.154 6.632 0.939 1.00 0.00 O ATOM 373 CB PHE A 25 2.378 5.070 0.836 1.00 0.00 C ATOM 374 CG PHE A 25 3.657 4.476 1.327 1.00 0.00 C ATOM 375 CD1 PHE A 25 3.688 3.175 1.786 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.822 5.218 1.347 1.00 0.00 C ATOM 377 CE1 PHE A 25 4.855 2.620 2.257 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.996 4.667 1.815 1.00 0.00 C ATOM 379 CZ PHE A 25 6.011 3.365 2.271 1.00 0.00 C ATOM 0 H PHE A 25 0.074 3.720 0.618 1.00 0.00 H new ATOM 0 HA PHE A 25 1.707 4.781 2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.084 4.581 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.532 6.124 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.784 2.585 1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.813 6.238 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.864 1.601 2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.903 5.254 1.825 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.929 2.931 2.638 1.00 0.00 H new ATOM 389 N TYR A 26 0.397 6.801 3.096 1.00 0.00 N ATOM 390 CA TYR A 26 -0.362 8.019 3.308 1.00 0.00 C ATOM 391 C TYR A 26 0.424 8.967 4.199 1.00 0.00 C ATOM 392 O TYR A 26 1.497 8.623 4.682 1.00 0.00 O ATOM 393 CB TYR A 26 -1.727 7.695 3.925 1.00 0.00 C ATOM 394 CG TYR A 26 -1.654 6.853 5.179 1.00 0.00 C ATOM 395 CD1 TYR A 26 -1.638 5.466 5.106 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.601 7.442 6.433 1.00 0.00 C ATOM 397 CE1 TYR A 26 -1.569 4.692 6.244 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.533 6.676 7.576 1.00 0.00 C ATOM 399 CZ TYR A 26 -1.516 5.301 7.478 1.00 0.00 C ATOM 400 OH TYR A 26 -1.445 4.535 8.618 1.00 0.00 O ATOM 0 H TYR A 26 0.888 6.461 3.923 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.533 8.506 2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.240 8.629 4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.334 7.173 3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.680 4.985 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.613 8.519 6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.557 3.615 6.169 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.493 7.151 8.545 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.413 5.120 9.404 1.00 0.00 H new ATOM 410 N ALA A 27 -0.098 10.160 4.405 1.00 0.00 N ATOM 411 CA ALA A 27 0.585 11.147 5.221 1.00 0.00 C ATOM 412 C ALA A 27 -0.309 11.612 6.355 1.00 0.00 C ATOM 413 O ALA A 27 -1.469 11.956 6.139 1.00 0.00 O ATOM 414 CB ALA A 27 1.017 12.325 4.368 1.00 0.00 C ATOM 0 H ALA A 27 -0.990 10.470 4.020 1.00 0.00 H new ATOM 0 HA ALA A 27 1.473 10.685 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.528 13.058 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.693 11.979 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.140 12.785 3.912 1.00 0.00 H new ATOM 420 N THR A 28 0.245 11.617 7.557 1.00 0.00 N ATOM 421 CA THR A 28 -0.487 11.975 8.759 1.00 0.00 C ATOM 422 C THR A 28 -0.974 13.422 8.735 1.00 0.00 C ATOM 423 O THR A 28 -1.978 13.755 9.362 1.00 0.00 O ATOM 424 CB THR A 28 0.399 11.748 9.977 1.00 0.00 C ATOM 425 OG1 THR A 28 1.598 11.077 9.566 1.00 0.00 O ATOM 426 CG2 THR A 28 -0.313 10.896 11.006 1.00 0.00 C ATOM 0 H THR A 28 1.220 11.371 7.726 1.00 0.00 H new ATOM 0 HA THR A 28 -1.371 11.339 8.809 1.00 0.00 H new ATOM 0 HB THR A 28 0.636 12.714 10.422 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.386 10.155 9.312 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.338 10.746 11.868 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.227 11.398 11.324 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.563 9.930 10.568 1.00 0.00 H new ATOM 434 N TRP A 29 -0.266 14.278 8.003 1.00 0.00 N ATOM 435 CA TRP A 29 -0.666 15.676 7.874 1.00 0.00 C ATOM 436 C TRP A 29 -1.762 15.833 6.819 1.00 0.00 C ATOM 437 O TRP A 29 -2.355 16.905 6.674 1.00 0.00 O ATOM 438 CB TRP A 29 0.543 16.565 7.536 1.00 0.00 C ATOM 439 CG TRP A 29 1.323 16.138 6.321 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.540 15.516 6.307 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.951 16.315 4.946 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.942 15.295 5.012 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.985 15.776 4.159 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.156 16.877 4.305 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.941 15.782 2.767 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.202 16.881 2.928 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.842 16.337 2.168 1.00 0.00 C ATOM 0 H TRP A 29 0.582 14.030 7.493 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.067 16.000 8.834 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.194 17.586 7.385 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.215 16.581 8.394 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.103 15.239 7.186 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.813 14.845 4.731 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.964 17.302 4.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.746 15.364 2.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.057 17.310 2.426 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.779 16.356 1.090 1.00 0.00 H new ATOM 458 N CYS A 30 -2.029 14.758 6.090 1.00 0.00 N ATOM 459 CA CYS A 30 -3.022 14.771 5.027 1.00 0.00 C ATOM 460 C CYS A 30 -4.400 14.444 5.600 1.00 0.00 C ATOM 461 O CYS A 30 -4.502 13.857 6.678 1.00 0.00 O ATOM 462 CB CYS A 30 -2.634 13.760 3.940 1.00 0.00 C ATOM 463 SG CYS A 30 -3.753 13.695 2.522 1.00 0.00 S ATOM 0 H CYS A 30 -1.566 13.858 6.218 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.060 15.764 4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.633 14.000 3.583 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.583 12.768 4.389 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.685 12.816 2.745 1.00 0.00 H new ATOM 469 N GLY A 31 -5.446 14.824 4.886 1.00 0.00 N ATOM 470 CA GLY A 31 -6.798 14.599 5.365 1.00 0.00 C ATOM 471 C GLY A 31 -7.321 13.204 5.060 1.00 0.00 C ATOM 472 O GLY A 31 -7.524 12.405 5.978 1.00 0.00 O ATOM 0 H GLY A 31 -5.386 15.287 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.826 14.762 6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.463 15.335 4.914 1.00 0.00 H new ATOM 476 N PRO A 32 -7.539 12.875 3.770 1.00 0.00 N ATOM 477 CA PRO A 32 -8.130 11.590 3.352 1.00 0.00 C ATOM 478 C PRO A 32 -7.233 10.373 3.606 1.00 0.00 C ATOM 479 O PRO A 32 -7.522 9.274 3.135 1.00 0.00 O ATOM 480 CB PRO A 32 -8.361 11.772 1.849 1.00 0.00 C ATOM 481 CG PRO A 32 -7.395 12.827 1.435 1.00 0.00 C ATOM 482 CD PRO A 32 -7.260 13.749 2.613 1.00 0.00 C ATOM 0 HA PRO A 32 -9.032 11.378 3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.186 10.842 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.388 12.074 1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.432 12.391 1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.756 13.364 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.262 14.184 2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.966 14.578 2.557 1.00 0.00 H new ATOM 490 N CYS A 33 -6.154 10.563 4.357 1.00 0.00 N ATOM 491 CA CYS A 33 -5.271 9.460 4.723 1.00 0.00 C ATOM 492 C CYS A 33 -6.038 8.431 5.551 1.00 0.00 C ATOM 493 O CYS A 33 -5.830 7.211 5.436 1.00 0.00 O ATOM 494 CB CYS A 33 -4.077 9.990 5.518 1.00 0.00 C ATOM 495 SG CYS A 33 -4.532 10.897 7.014 1.00 0.00 S ATOM 0 H CYS A 33 -5.869 11.471 4.725 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.906 8.980 3.815 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.437 9.152 5.794 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.487 10.643 4.875 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.882 12.108 6.697 1.00 0.00 H new ATOM 501 N LYS A 34 -6.962 8.936 6.355 1.00 0.00 N ATOM 502 CA LYS A 34 -7.771 8.095 7.213 1.00 0.00 C ATOM 503 C LYS A 34 -8.717 7.225 6.397 1.00 0.00 C ATOM 504 O LYS A 34 -9.360 6.338 6.947 1.00 0.00 O ATOM 505 CB LYS A 34 -8.566 8.938 8.214 1.00 0.00 C ATOM 506 CG LYS A 34 -9.572 9.879 7.569 1.00 0.00 C ATOM 507 CD LYS A 34 -10.475 10.533 8.606 1.00 0.00 C ATOM 508 CE LYS A 34 -11.336 9.505 9.329 1.00 0.00 C ATOM 509 NZ LYS A 34 -12.270 10.138 10.294 1.00 0.00 N ATOM 0 H LYS A 34 -7.168 9.932 6.428 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.094 7.444 7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.093 8.272 8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.870 9.523 8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.042 10.650 7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.180 9.326 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.866 11.073 9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.116 11.268 8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.905 8.931 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.693 8.801 9.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.836 9.402 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.727 10.665 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.902 10.791 9.788 1.00 0.00 H new ATOM 523 N MET A 35 -8.810 7.464 5.084 1.00 0.00 N ATOM 524 CA MET A 35 -9.668 6.634 4.254 1.00 0.00 C ATOM 525 C MET A 35 -8.924 5.369 3.883 1.00 0.00 C ATOM 526 O MET A 35 -9.521 4.321 3.646 1.00 0.00 O ATOM 527 CB MET A 35 -10.113 7.347 2.982 1.00 0.00 C ATOM 528 CG MET A 35 -11.290 6.646 2.328 1.00 0.00 C ATOM 529 SD MET A 35 -11.811 7.392 0.776 1.00 0.00 S ATOM 530 CE MET A 35 -12.936 6.118 0.206 1.00 0.00 C ATOM 0 H MET A 35 -8.314 8.206 4.590 1.00 0.00 H new ATOM 0 HA MET A 35 -10.564 6.404 4.831 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.387 8.375 3.218 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.280 7.392 2.280 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.026 5.604 2.148 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.132 6.647 3.021 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.153 6.271 -0.851 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.477 5.139 0.345 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.863 6.169 0.778 1.00 0.00 H new ATOM 540 N ILE A 36 -7.607 5.477 3.847 1.00 0.00 N ATOM 541 CA ILE A 36 -6.764 4.338 3.554 1.00 0.00 C ATOM 542 C ILE A 36 -6.655 3.448 4.769 1.00 0.00 C ATOM 543 O ILE A 36 -6.449 2.244 4.650 1.00 0.00 O ATOM 544 CB ILE A 36 -5.374 4.796 3.055 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.369 4.780 1.533 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.243 3.949 3.615 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.477 5.614 0.946 1.00 0.00 C ATOM 0 H ILE A 36 -7.100 6.346 4.018 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.220 3.759 2.751 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.196 5.809 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.409 5.150 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.467 3.752 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.290 4.315 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.245 4.013 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.381 2.911 3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.429 5.569 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.440 5.229 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.366 6.648 1.272 1.00 0.00 H new ATOM 559 N ALA A 37 -6.848 4.042 5.934 1.00 0.00 N ATOM 560 CA ALA A 37 -6.910 3.270 7.163 1.00 0.00 C ATOM 561 C ALA A 37 -7.940 2.120 7.069 1.00 0.00 C ATOM 562 O ALA A 37 -7.544 0.956 7.092 1.00 0.00 O ATOM 563 CB ALA A 37 -7.173 4.178 8.358 1.00 0.00 C ATOM 0 H ALA A 37 -6.964 5.048 6.055 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.938 2.801 7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.216 3.579 9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.370 4.910 8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.122 4.696 8.220 1.00 0.00 H new ATOM 569 N PRO A 38 -9.266 2.384 6.924 1.00 0.00 N ATOM 570 CA PRO A 38 -10.258 1.306 6.943 1.00 0.00 C ATOM 571 C PRO A 38 -10.439 0.588 5.601 1.00 0.00 C ATOM 572 O PRO A 38 -10.756 -0.597 5.587 1.00 0.00 O ATOM 573 CB PRO A 38 -11.536 2.033 7.335 1.00 0.00 C ATOM 574 CG PRO A 38 -11.390 3.378 6.718 1.00 0.00 C ATOM 575 CD PRO A 38 -9.914 3.690 6.735 1.00 0.00 C ATOM 0 HA PRO A 38 -9.957 0.507 7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.420 1.516 6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.641 2.100 8.418 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.777 3.383 5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.953 4.126 7.277 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.597 4.160 5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.663 4.379 7.542 1.00 0.00 H new ATOM 583 N MET A 39 -10.239 1.289 4.480 1.00 0.00 N ATOM 584 CA MET A 39 -10.468 0.696 3.161 1.00 0.00 C ATOM 585 C MET A 39 -9.395 -0.345 2.871 1.00 0.00 C ATOM 586 O MET A 39 -9.654 -1.382 2.256 1.00 0.00 O ATOM 587 CB MET A 39 -10.490 1.810 2.090 1.00 0.00 C ATOM 588 CG MET A 39 -10.472 1.331 0.643 1.00 0.00 C ATOM 589 SD MET A 39 -8.819 0.889 0.064 1.00 0.00 S ATOM 590 CE MET A 39 -7.847 2.225 0.759 1.00 0.00 C ATOM 0 H MET A 39 -9.922 2.258 4.460 1.00 0.00 H new ATOM 0 HA MET A 39 -11.434 0.191 3.141 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.382 2.418 2.242 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.630 2.460 2.250 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.128 0.466 0.545 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.878 2.114 0.002 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.029 2.471 0.081 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.480 3.102 0.897 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.440 1.916 1.722 1.00 0.00 H new ATOM 600 N ILE A 40 -8.203 -0.081 3.363 1.00 0.00 N ATOM 601 CA ILE A 40 -7.083 -0.970 3.156 1.00 0.00 C ATOM 602 C ILE A 40 -7.088 -2.097 4.177 1.00 0.00 C ATOM 603 O ILE A 40 -6.724 -3.229 3.873 1.00 0.00 O ATOM 604 CB ILE A 40 -5.772 -0.173 3.182 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.274 0.025 1.758 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.704 -0.831 4.045 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.336 1.190 1.614 1.00 0.00 C ATOM 0 H ILE A 40 -7.985 0.750 3.913 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.173 -1.435 2.174 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.978 0.796 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.769 -0.883 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.129 0.172 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.798 -0.225 4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.065 -0.914 5.070 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.483 -1.825 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.019 1.275 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.845 2.106 1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.463 1.035 2.248 1.00 0.00 H new ATOM 619 N GLU A 41 -7.526 -1.810 5.385 1.00 0.00 N ATOM 620 CA GLU A 41 -7.761 -2.886 6.333 1.00 0.00 C ATOM 621 C GLU A 41 -8.910 -3.761 5.829 1.00 0.00 C ATOM 622 O GLU A 41 -9.016 -4.933 6.186 1.00 0.00 O ATOM 623 CB GLU A 41 -8.074 -2.352 7.736 1.00 0.00 C ATOM 624 CG GLU A 41 -6.881 -1.713 8.429 1.00 0.00 C ATOM 625 CD GLU A 41 -7.115 -1.491 9.910 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.913 -0.602 10.271 1.00 0.00 O ATOM 627 OE2 GLU A 41 -6.493 -2.206 10.726 1.00 0.00 O ATOM 0 H GLU A 41 -7.723 -0.870 5.730 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.850 -3.479 6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.877 -1.618 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.445 -3.171 8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.005 -2.348 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.658 -0.758 7.953 1.00 0.00 H new ATOM 634 N LYS A 42 -9.734 -3.184 4.956 1.00 0.00 N ATOM 635 CA LYS A 42 -10.918 -3.850 4.444 1.00 0.00 C ATOM 636 C LYS A 42 -10.578 -4.838 3.324 1.00 0.00 C ATOM 637 O LYS A 42 -11.207 -5.895 3.227 1.00 0.00 O ATOM 638 CB LYS A 42 -11.930 -2.807 3.953 1.00 0.00 C ATOM 639 CG LYS A 42 -13.329 -3.357 3.713 1.00 0.00 C ATOM 640 CD LYS A 42 -14.299 -2.241 3.352 1.00 0.00 C ATOM 641 CE LYS A 42 -15.751 -2.662 3.539 1.00 0.00 C ATOM 642 NZ LYS A 42 -16.173 -3.703 2.567 1.00 0.00 N ATOM 0 H LYS A 42 -9.595 -2.243 4.588 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.358 -4.425 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.989 -2.002 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.561 -2.368 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.301 -4.094 2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.679 -3.873 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.093 -1.368 3.971 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.139 -1.943 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.889 -3.039 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.395 -1.789 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.097 -4.087 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.248 -3.283 1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.470 -4.469 2.552 1.00 0.00 H new ATOM 656 N PHE A 43 -9.592 -4.511 2.477 1.00 0.00 N ATOM 657 CA PHE A 43 -9.224 -5.426 1.390 1.00 0.00 C ATOM 658 C PHE A 43 -8.799 -6.780 1.961 1.00 0.00 C ATOM 659 O PHE A 43 -9.260 -7.823 1.498 1.00 0.00 O ATOM 660 CB PHE A 43 -8.140 -4.839 0.434 1.00 0.00 C ATOM 661 CG PHE A 43 -6.696 -4.967 0.874 1.00 0.00 C ATOM 662 CD1 PHE A 43 -6.048 -6.196 0.868 1.00 0.00 C ATOM 663 CD2 PHE A 43 -5.985 -3.855 1.281 1.00 0.00 C ATOM 664 CE1 PHE A 43 -4.732 -6.310 1.267 1.00 0.00 C ATOM 665 CE2 PHE A 43 -4.667 -3.962 1.682 1.00 0.00 C ATOM 666 CZ PHE A 43 -4.041 -5.192 1.676 1.00 0.00 C ATOM 0 H PHE A 43 -9.050 -3.648 2.520 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.112 -5.567 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.244 -5.326 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.357 -3.781 0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.583 -7.077 0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.466 -2.888 1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.245 -7.274 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.127 -3.083 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.012 -5.277 1.991 1.00 0.00 H new ATOM 676 N SER A 44 -7.953 -6.779 2.991 1.00 0.00 N ATOM 677 CA SER A 44 -7.486 -8.029 3.553 1.00 0.00 C ATOM 678 C SER A 44 -8.477 -8.553 4.583 1.00 0.00 C ATOM 679 O SER A 44 -8.405 -9.709 5.000 1.00 0.00 O ATOM 680 CB SER A 44 -6.101 -7.865 4.154 1.00 0.00 C ATOM 681 OG SER A 44 -6.093 -6.888 5.186 1.00 0.00 O ATOM 0 H SER A 44 -7.587 -5.940 3.441 1.00 0.00 H new ATOM 0 HA SER A 44 -7.414 -8.764 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.761 -8.821 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.396 -7.577 3.374 1.00 0.00 H new ATOM 0 HG SER A 44 -5.238 -6.924 5.663 1.00 0.00 H new ATOM 687 N GLU A 45 -9.390 -7.685 5.008 1.00 0.00 N ATOM 688 CA GLU A 45 -10.493 -8.098 5.860 1.00 0.00 C ATOM 689 C GLU A 45 -11.326 -9.138 5.121 1.00 0.00 C ATOM 690 O GLU A 45 -11.901 -10.045 5.728 1.00 0.00 O ATOM 691 CB GLU A 45 -11.360 -6.898 6.232 1.00 0.00 C ATOM 692 CG GLU A 45 -12.283 -7.149 7.409 1.00 0.00 C ATOM 693 CD GLU A 45 -11.534 -7.245 8.721 1.00 0.00 C ATOM 694 OE1 GLU A 45 -11.221 -6.191 9.311 1.00 0.00 O ATOM 695 OE2 GLU A 45 -11.259 -8.374 9.177 1.00 0.00 O ATOM 0 H GLU A 45 -9.385 -6.692 4.775 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.097 -8.529 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.713 -6.052 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.959 -6.613 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.016 -6.344 7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.837 -8.073 7.242 1.00 0.00 H new ATOM 702 N GLN A 46 -11.367 -8.999 3.797 1.00 0.00 N ATOM 703 CA GLN A 46 -12.010 -9.973 2.939 1.00 0.00 C ATOM 704 C GLN A 46 -11.062 -11.129 2.676 1.00 0.00 C ATOM 705 O GLN A 46 -11.421 -12.297 2.844 1.00 0.00 O ATOM 706 CB GLN A 46 -12.406 -9.341 1.603 1.00 0.00 C ATOM 707 CG GLN A 46 -13.400 -8.201 1.719 1.00 0.00 C ATOM 708 CD GLN A 46 -13.739 -7.600 0.369 1.00 0.00 C ATOM 709 OE1 GLN A 46 -13.104 -6.651 -0.084 1.00 0.00 O ATOM 710 NE2 GLN A 46 -14.739 -8.158 -0.291 1.00 0.00 N ATOM 0 H GLN A 46 -10.956 -8.210 3.298 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.908 -10.332 3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.507 -8.974 1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.831 -10.113 0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.312 -8.563 2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.989 -7.427 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.243 -8.945 0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.006 -7.802 -1.209 1.00 0.00 H new ATOM 719 N TYR A 47 -9.841 -10.792 2.272 1.00 0.00 N ATOM 720 CA TYR A 47 -8.871 -11.793 1.881 1.00 0.00 C ATOM 721 C TYR A 47 -7.479 -11.541 2.476 1.00 0.00 C ATOM 722 O TYR A 47 -6.658 -10.823 1.915 1.00 0.00 O ATOM 723 CB TYR A 47 -8.823 -11.913 0.356 1.00 0.00 C ATOM 724 CG TYR A 47 -8.741 -10.611 -0.422 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.620 -9.794 -0.368 1.00 0.00 C ATOM 726 CD2 TYR A 47 -9.782 -10.232 -1.258 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.541 -8.639 -1.116 1.00 0.00 C ATOM 728 CE2 TYR A 47 -9.715 -9.075 -2.005 1.00 0.00 C ATOM 729 CZ TYR A 47 -8.591 -8.283 -1.931 1.00 0.00 C ATOM 730 OH TYR A 47 -8.510 -7.139 -2.685 1.00 0.00 O ATOM 0 H TYR A 47 -9.506 -9.831 2.209 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.200 -12.746 2.296 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.962 -12.526 0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.712 -12.452 0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.794 -10.068 0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.661 -10.855 -1.325 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.660 -8.017 -1.063 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.538 -8.792 -2.644 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.373 -6.971 -3.119 1.00 0.00 H new ATOM 740 N PRO A 48 -7.183 -12.134 3.636 1.00 0.00 N ATOM 741 CA PRO A 48 -5.873 -11.986 4.277 1.00 0.00 C ATOM 742 C PRO A 48 -4.759 -12.688 3.494 1.00 0.00 C ATOM 743 O PRO A 48 -3.596 -12.672 3.904 1.00 0.00 O ATOM 744 CB PRO A 48 -6.071 -12.630 5.646 1.00 0.00 C ATOM 745 CG PRO A 48 -7.169 -13.614 5.443 1.00 0.00 C ATOM 746 CD PRO A 48 -8.085 -12.999 4.421 1.00 0.00 C ATOM 0 HA PRO A 48 -5.558 -10.944 4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.159 -13.119 5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.338 -11.888 6.398 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.778 -14.570 5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.698 -13.808 6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.559 -13.757 3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.885 -12.426 4.890 1.00 0.00 H new ATOM 754 N GLN A 49 -5.130 -13.319 2.378 1.00 0.00 N ATOM 755 CA GLN A 49 -4.170 -13.998 1.507 1.00 0.00 C ATOM 756 C GLN A 49 -3.222 -13.009 0.828 1.00 0.00 C ATOM 757 O GLN A 49 -2.169 -13.393 0.319 1.00 0.00 O ATOM 758 CB GLN A 49 -4.902 -14.846 0.471 1.00 0.00 C ATOM 759 CG GLN A 49 -5.878 -14.050 -0.329 1.00 0.00 C ATOM 760 CD GLN A 49 -5.297 -13.511 -1.622 1.00 0.00 C ATOM 761 OE1 GLN A 49 -4.409 -14.120 -2.220 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.796 -12.371 -2.063 1.00 0.00 N ATOM 0 H GLN A 49 -6.096 -13.373 2.055 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.561 -14.653 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.175 -15.304 -0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.426 -15.658 0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.742 -14.673 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.238 -13.217 0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.531 -11.899 -1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.446 -11.963 -2.930 1.00 0.00 H new ATOM 771 N ALA A 50 -3.596 -11.736 0.828 1.00 0.00 N ATOM 772 CA ALA A 50 -2.729 -10.687 0.311 1.00 0.00 C ATOM 773 C ALA A 50 -2.058 -10.016 1.486 1.00 0.00 C ATOM 774 O ALA A 50 -2.613 -10.006 2.586 1.00 0.00 O ATOM 775 CB ALA A 50 -3.530 -9.669 -0.480 1.00 0.00 C ATOM 0 H ALA A 50 -4.494 -11.406 1.181 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.986 -11.119 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.862 -8.894 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.021 -10.164 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.282 -9.217 0.166 1.00 0.00 H new ATOM 781 N ASP A 51 -0.874 -9.466 1.295 1.00 0.00 N ATOM 782 CA ASP A 51 -0.169 -8.910 2.432 1.00 0.00 C ATOM 783 C ASP A 51 -0.487 -7.449 2.613 1.00 0.00 C ATOM 784 O ASP A 51 -0.583 -6.684 1.651 1.00 0.00 O ATOM 785 CB ASP A 51 1.340 -9.112 2.368 1.00 0.00 C ATOM 786 CG ASP A 51 1.829 -9.925 3.550 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.630 -9.484 4.701 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.394 -11.020 3.340 1.00 0.00 O ATOM 0 H ASP A 51 -0.394 -9.393 0.398 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.528 -9.466 3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.604 -9.618 1.440 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.840 -8.144 2.356 1.00 0.00 H new ATOM 793 N PHE A 52 -0.634 -7.085 3.867 1.00 0.00 N ATOM 794 CA PHE A 52 -1.089 -5.771 4.249 1.00 0.00 C ATOM 795 C PHE A 52 0.012 -4.999 4.954 1.00 0.00 C ATOM 796 O PHE A 52 0.448 -5.378 6.040 1.00 0.00 O ATOM 797 CB PHE A 52 -2.303 -5.912 5.172 1.00 0.00 C ATOM 798 CG PHE A 52 -2.309 -7.186 5.981 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.602 -7.277 7.170 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.021 -8.293 5.548 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.606 -8.445 7.909 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.030 -9.463 6.282 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.321 -9.540 7.464 1.00 0.00 C ATOM 0 H PHE A 52 -0.439 -7.700 4.657 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.366 -5.218 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.331 -5.061 5.852 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.211 -5.870 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.041 -6.424 7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.577 -8.240 4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.051 -8.502 8.834 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.591 -10.317 5.932 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.325 -10.454 8.039 1.00 0.00 H new ATOM 813 N TYR A 53 0.462 -3.918 4.342 1.00 0.00 N ATOM 814 CA TYR A 53 1.468 -3.071 4.965 1.00 0.00 C ATOM 815 C TYR A 53 1.147 -1.605 4.739 1.00 0.00 C ATOM 816 O TYR A 53 0.570 -1.248 3.721 1.00 0.00 O ATOM 817 CB TYR A 53 2.865 -3.401 4.432 1.00 0.00 C ATOM 818 CG TYR A 53 3.317 -4.814 4.723 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.911 -5.134 5.934 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.151 -5.826 3.784 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.326 -6.421 6.207 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.563 -7.118 4.050 1.00 0.00 C ATOM 823 CZ TYR A 53 4.149 -7.408 5.264 1.00 0.00 C ATOM 824 OH TYR A 53 4.557 -8.693 5.541 1.00 0.00 O ATOM 0 H TYR A 53 0.151 -3.606 3.422 1.00 0.00 H new ATOM 0 HA TYR A 53 1.457 -3.266 6.037 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.878 -3.241 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.582 -2.704 4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.051 -4.362 6.677 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.693 -5.599 2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.787 -6.653 7.156 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.427 -7.895 3.312 1.00 0.00 H new ATOM 0 HH TYR A 53 3.816 -9.314 5.378 1.00 0.00 H new ATOM 834 N LYS A 54 1.508 -0.767 5.703 1.00 0.00 N ATOM 835 CA LYS A 54 1.163 0.645 5.658 1.00 0.00 C ATOM 836 C LYS A 54 2.273 1.496 6.276 1.00 0.00 C ATOM 837 O LYS A 54 3.033 1.009 7.119 1.00 0.00 O ATOM 838 CB LYS A 54 -0.164 0.870 6.392 1.00 0.00 C ATOM 839 CG LYS A 54 -0.080 0.778 7.911 1.00 0.00 C ATOM 840 CD LYS A 54 -1.378 1.232 8.567 1.00 0.00 C ATOM 841 CE LYS A 54 -1.236 1.371 10.078 1.00 0.00 C ATOM 842 NZ LYS A 54 -1.275 0.061 10.783 1.00 0.00 N ATOM 0 H LYS A 54 2.041 -1.044 6.527 1.00 0.00 H new ATOM 0 HA LYS A 54 1.052 0.950 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.549 1.853 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.888 0.136 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.138 -0.249 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.745 1.393 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.684 2.188 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.168 0.516 8.341 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.296 1.873 10.305 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.036 2.006 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.487 0.007 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.176 -0.032 11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.189 -0.709 10.089 1.00 0.00 H new ATOM 856 N LEU A 55 2.376 2.754 5.845 1.00 0.00 N ATOM 857 CA LEU A 55 3.401 3.656 6.345 1.00 0.00 C ATOM 858 C LEU A 55 3.008 5.117 6.091 1.00 0.00 C ATOM 859 O LEU A 55 2.349 5.430 5.095 1.00 0.00 O ATOM 860 CB LEU A 55 4.733 3.303 5.667 1.00 0.00 C ATOM 861 CG LEU A 55 5.930 4.203 5.985 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.223 3.419 5.844 1.00 0.00 C ATOM 863 CD2 LEU A 55 5.947 5.395 5.048 1.00 0.00 C ATOM 0 H LEU A 55 1.757 3.168 5.148 1.00 0.00 H new ATOM 0 HA LEU A 55 3.507 3.540 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.994 2.281 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.578 3.313 4.588 1.00 0.00 H new ATOM 0 HG LEU A 55 5.840 4.558 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.069 4.068 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.215 2.577 6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.315 3.049 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.802 6.029 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.024 5.047 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.027 5.967 5.170 1.00 0.00 H new ATOM 875 N ASP A 56 3.408 6.001 7.005 1.00 0.00 N ATOM 876 CA ASP A 56 3.182 7.437 6.860 1.00 0.00 C ATOM 877 C ASP A 56 4.381 8.104 6.197 1.00 0.00 C ATOM 878 O ASP A 56 5.496 8.037 6.719 1.00 0.00 O ATOM 879 CB ASP A 56 2.957 8.081 8.231 1.00 0.00 C ATOM 880 CG ASP A 56 1.565 7.863 8.775 1.00 0.00 C ATOM 881 OD1 ASP A 56 1.306 6.787 9.343 1.00 0.00 O ATOM 882 OD2 ASP A 56 0.733 8.783 8.657 1.00 0.00 O ATOM 0 H ASP A 56 3.896 5.742 7.863 1.00 0.00 H new ATOM 0 HA ASP A 56 2.298 7.576 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.682 7.677 8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.146 9.152 8.157 1.00 0.00 H new ATOM 887 N VAL A 57 4.159 8.771 5.061 1.00 0.00 N ATOM 888 CA VAL A 57 5.246 9.428 4.337 1.00 0.00 C ATOM 889 C VAL A 57 5.769 10.616 5.143 1.00 0.00 C ATOM 890 O VAL A 57 6.852 11.139 4.880 1.00 0.00 O ATOM 891 CB VAL A 57 4.805 9.912 2.935 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.823 8.935 2.305 1.00 0.00 C ATOM 893 CG2 VAL A 57 4.207 11.308 2.995 1.00 0.00 C ATOM 0 H VAL A 57 3.241 8.869 4.626 1.00 0.00 H new ATOM 0 HA VAL A 57 6.037 8.690 4.203 1.00 0.00 H new ATOM 0 HB VAL A 57 5.695 9.955 2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.529 9.299 1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.296 7.958 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.940 8.848 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.907 11.619 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.335 11.303 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.949 12.005 3.384 1.00 0.00 H new ATOM 903 N ASP A 58 4.972 11.042 6.117 1.00 0.00 N ATOM 904 CA ASP A 58 5.372 12.093 7.041 1.00 0.00 C ATOM 905 C ASP A 58 6.532 11.608 7.895 1.00 0.00 C ATOM 906 O ASP A 58 7.481 12.345 8.166 1.00 0.00 O ATOM 907 CB ASP A 58 4.192 12.489 7.932 1.00 0.00 C ATOM 908 CG ASP A 58 4.589 13.453 9.035 1.00 0.00 C ATOM 909 OD1 ASP A 58 4.665 14.665 8.768 1.00 0.00 O ATOM 910 OD2 ASP A 58 4.816 12.999 10.177 1.00 0.00 O ATOM 0 H ASP A 58 4.037 10.671 6.286 1.00 0.00 H new ATOM 0 HA ASP A 58 5.688 12.967 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.416 12.945 7.318 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.761 11.592 8.377 1.00 0.00 H new ATOM 915 N GLU A 59 6.453 10.349 8.292 1.00 0.00 N ATOM 916 CA GLU A 59 7.480 9.733 9.113 1.00 0.00 C ATOM 917 C GLU A 59 8.678 9.327 8.258 1.00 0.00 C ATOM 918 O GLU A 59 9.828 9.525 8.652 1.00 0.00 O ATOM 919 CB GLU A 59 6.905 8.507 9.828 1.00 0.00 C ATOM 920 CG GLU A 59 7.886 7.819 10.763 1.00 0.00 C ATOM 921 CD GLU A 59 8.241 8.664 11.968 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.540 8.561 12.996 1.00 0.00 O ATOM 923 OE2 GLU A 59 9.227 9.423 11.899 1.00 0.00 O ATOM 0 H GLU A 59 5.679 9.728 8.055 1.00 0.00 H new ATOM 0 HA GLU A 59 7.816 10.457 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.027 8.811 10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.567 7.789 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.458 6.875 11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.796 7.578 10.214 1.00 0.00 H new ATOM 930 N LEU A 60 8.402 8.769 7.084 1.00 0.00 N ATOM 931 CA LEU A 60 9.459 8.253 6.219 1.00 0.00 C ATOM 932 C LEU A 60 9.232 8.631 4.755 1.00 0.00 C ATOM 933 O LEU A 60 8.707 7.841 3.957 1.00 0.00 O ATOM 934 CB LEU A 60 9.546 6.737 6.375 1.00 0.00 C ATOM 935 CG LEU A 60 9.991 6.256 7.756 1.00 0.00 C ATOM 936 CD1 LEU A 60 9.696 4.780 7.929 1.00 0.00 C ATOM 937 CD2 LEU A 60 11.474 6.525 7.961 1.00 0.00 C ATOM 0 H LEU A 60 7.459 8.662 6.710 1.00 0.00 H new ATOM 0 HA LEU A 60 10.402 8.707 6.523 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.569 6.307 6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.241 6.349 5.630 1.00 0.00 H new ATOM 0 HG LEU A 60 9.429 6.810 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.020 4.458 8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.625 4.608 7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.230 4.211 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.774 6.176 8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.048 5.996 7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.664 7.595 7.881 1.00 0.00 H new ATOM 949 N GLY A 61 9.656 9.837 4.404 1.00 0.00 N ATOM 950 CA GLY A 61 9.487 10.326 3.050 1.00 0.00 C ATOM 951 C GLY A 61 10.419 9.647 2.068 1.00 0.00 C ATOM 952 O GLY A 61 10.030 9.347 0.939 1.00 0.00 O ATOM 0 H GLY A 61 10.117 10.490 5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.455 10.168 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.665 11.401 3.031 1.00 0.00 H new ATOM 956 N ASP A 62 11.647 9.382 2.505 1.00 0.00 N ATOM 957 CA ASP A 62 12.645 8.743 1.647 1.00 0.00 C ATOM 958 C ASP A 62 12.202 7.339 1.275 1.00 0.00 C ATOM 959 O ASP A 62 12.572 6.815 0.224 1.00 0.00 O ATOM 960 CB ASP A 62 14.018 8.701 2.328 1.00 0.00 C ATOM 961 CG ASP A 62 14.106 7.654 3.425 1.00 0.00 C ATOM 962 OD1 ASP A 62 13.559 7.886 4.521 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.729 6.595 3.190 1.00 0.00 O ATOM 0 H ASP A 62 11.976 9.599 3.446 1.00 0.00 H new ATOM 0 HA ASP A 62 12.736 9.339 0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.783 8.499 1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.238 9.681 2.751 1.00 0.00 H new ATOM 968 N VAL A 63 11.402 6.742 2.141 1.00 0.00 N ATOM 969 CA VAL A 63 10.806 5.450 1.857 1.00 0.00 C ATOM 970 C VAL A 63 9.808 5.589 0.724 1.00 0.00 C ATOM 971 O VAL A 63 9.935 4.916 -0.288 1.00 0.00 O ATOM 972 CB VAL A 63 10.101 4.856 3.087 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.393 3.559 2.726 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.091 4.612 4.214 1.00 0.00 C ATOM 0 H VAL A 63 11.150 7.133 3.049 1.00 0.00 H new ATOM 0 HA VAL A 63 11.610 4.771 1.574 1.00 0.00 H new ATOM 0 HB VAL A 63 9.359 5.578 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.900 3.155 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.649 3.753 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.121 2.838 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.568 4.192 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.859 3.914 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.557 5.555 4.499 1.00 0.00 H new ATOM 984 N ALA A 64 8.833 6.486 0.890 1.00 0.00 N ATOM 985 CA ALA A 64 7.837 6.741 -0.143 1.00 0.00 C ATOM 986 C ALA A 64 8.497 6.983 -1.495 1.00 0.00 C ATOM 987 O ALA A 64 8.048 6.470 -2.523 1.00 0.00 O ATOM 988 CB ALA A 64 6.983 7.937 0.242 1.00 0.00 C ATOM 0 H ALA A 64 8.715 7.047 1.734 1.00 0.00 H new ATOM 0 HA ALA A 64 7.203 5.859 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.242 8.120 -0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.477 7.734 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.617 8.816 0.353 1.00 0.00 H new ATOM 994 N GLN A 65 9.588 7.728 -1.475 1.00 0.00 N ATOM 995 CA GLN A 65 10.305 8.073 -2.697 1.00 0.00 C ATOM 996 C GLN A 65 10.984 6.851 -3.303 1.00 0.00 C ATOM 997 O GLN A 65 11.112 6.744 -4.521 1.00 0.00 O ATOM 998 CB GLN A 65 11.326 9.169 -2.414 1.00 0.00 C ATOM 999 CG GLN A 65 10.692 10.461 -1.934 1.00 0.00 C ATOM 1000 CD GLN A 65 11.700 11.572 -1.756 1.00 0.00 C ATOM 1001 OE1 GLN A 65 12.261 11.757 -0.675 1.00 0.00 O ATOM 1002 NE2 GLN A 65 11.953 12.309 -2.822 1.00 0.00 N ATOM 0 H GLN A 65 10.001 8.109 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 65 9.581 8.444 -3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.031 8.815 -1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.899 9.367 -3.320 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.932 10.776 -2.649 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.183 10.282 -0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.466 12.122 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.636 13.065 -2.769 1.00 0.00 H new ATOM 1011 N LYS A 66 11.398 5.923 -2.449 1.00 0.00 N ATOM 1012 CA LYS A 66 11.985 4.672 -2.881 1.00 0.00 C ATOM 1013 C LYS A 66 10.960 3.846 -3.663 1.00 0.00 C ATOM 1014 O LYS A 66 11.313 3.047 -4.531 1.00 0.00 O ATOM 1015 CB LYS A 66 12.487 3.916 -1.635 1.00 0.00 C ATOM 1016 CG LYS A 66 12.171 2.429 -1.604 1.00 0.00 C ATOM 1017 CD LYS A 66 13.058 1.607 -2.533 1.00 0.00 C ATOM 1018 CE LYS A 66 12.664 0.136 -2.506 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.507 -0.695 -3.408 1.00 0.00 N ATOM 0 H LYS A 66 11.334 6.022 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 66 12.825 4.858 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.567 4.042 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.054 4.381 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.285 2.061 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.128 2.280 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.978 1.990 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.101 1.713 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.747 -0.241 -1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.618 0.038 -2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.317 -1.702 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.283 -0.469 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.511 -0.495 -3.226 1.00 0.00 H new ATOM 1033 N ASN A 67 9.689 4.083 -3.380 1.00 0.00 N ATOM 1034 CA ASN A 67 8.627 3.232 -3.871 1.00 0.00 C ATOM 1035 C ASN A 67 7.909 3.873 -5.034 1.00 0.00 C ATOM 1036 O ASN A 67 7.129 3.212 -5.718 1.00 0.00 O ATOM 1037 CB ASN A 67 7.616 3.012 -2.772 1.00 0.00 C ATOM 1038 CG ASN A 67 8.243 2.722 -1.437 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.730 3.381 -0.421 1.00 0.00 O flip ATOM 1040 ND2 ASN A 67 9.204 1.968 -1.327 1.00 0.00 N flip ATOM 0 H ASN A 67 9.370 4.865 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 67 9.073 2.291 -4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.986 3.897 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.965 2.183 -3.048 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.565 1.479 -2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.642 1.830 -0.416 1.00 0.00 H new ATOM 1047 N GLU A 68 8.173 5.165 -5.226 1.00 0.00 N ATOM 1048 CA GLU A 68 7.536 5.966 -6.268 1.00 0.00 C ATOM 1049 C GLU A 68 6.141 6.425 -5.821 1.00 0.00 C ATOM 1050 O GLU A 68 5.241 6.642 -6.632 1.00 0.00 O ATOM 1051 CB GLU A 68 7.481 5.184 -7.592 1.00 0.00 C ATOM 1052 CG GLU A 68 6.968 5.969 -8.792 1.00 0.00 C ATOM 1053 CD GLU A 68 7.752 7.236 -9.055 1.00 0.00 C ATOM 1054 OE1 GLU A 68 8.981 7.151 -9.258 1.00 0.00 O ATOM 1055 OE2 GLU A 68 7.142 8.325 -9.059 1.00 0.00 O ATOM 0 H GLU A 68 8.840 5.688 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 68 8.136 6.860 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.482 4.817 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.845 4.310 -7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.008 5.334 -9.677 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.921 6.224 -8.630 1.00 0.00 H new ATOM 1062 N VAL A 69 5.963 6.573 -4.514 1.00 0.00 N ATOM 1063 CA VAL A 69 4.758 7.197 -3.991 1.00 0.00 C ATOM 1064 C VAL A 69 5.076 8.597 -3.478 1.00 0.00 C ATOM 1065 O VAL A 69 5.867 8.773 -2.554 1.00 0.00 O ATOM 1066 CB VAL A 69 4.046 6.351 -2.897 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.022 5.605 -2.001 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.131 7.226 -2.053 1.00 0.00 C ATOM 0 H VAL A 69 6.631 6.272 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 69 4.052 7.264 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 69 3.452 5.603 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.468 5.032 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.626 4.928 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.673 6.320 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.642 6.615 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.719 8.006 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.376 7.684 -2.691 1.00 0.00 H new ATOM 1078 N SER A 70 4.476 9.590 -4.114 1.00 0.00 N ATOM 1079 CA SER A 70 4.706 10.977 -3.755 1.00 0.00 C ATOM 1080 C SER A 70 3.409 11.619 -3.274 1.00 0.00 C ATOM 1081 O SER A 70 3.419 12.514 -2.427 1.00 0.00 O ATOM 1082 CB SER A 70 5.268 11.733 -4.961 1.00 0.00 C ATOM 1083 OG SER A 70 5.711 13.032 -4.604 1.00 0.00 O ATOM 0 H SER A 70 3.822 9.458 -4.886 1.00 0.00 H new ATOM 0 HA SER A 70 5.431 11.023 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.097 11.170 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.502 11.809 -5.733 1.00 0.00 H new ATOM 0 HG SER A 70 6.065 13.486 -5.397 1.00 0.00 H new ATOM 1089 N ALA A 71 2.292 11.151 -3.816 1.00 0.00 N ATOM 1090 CA ALA A 71 0.984 11.657 -3.435 1.00 0.00 C ATOM 1091 C ALA A 71 0.423 10.843 -2.278 1.00 0.00 C ATOM 1092 O ALA A 71 0.936 9.770 -1.959 1.00 0.00 O ATOM 1093 CB ALA A 71 0.034 11.622 -4.622 1.00 0.00 C ATOM 0 H ALA A 71 2.268 10.418 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 71 1.091 12.693 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.941 12.004 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.433 12.241 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.072 10.596 -4.973 1.00 0.00 H new ATOM 1099 N MET A 72 -0.622 11.350 -1.647 1.00 0.00 N ATOM 1100 CA MET A 72 -1.230 10.662 -0.524 1.00 0.00 C ATOM 1101 C MET A 72 -2.718 10.967 -0.438 1.00 0.00 C ATOM 1102 O MET A 72 -3.150 12.083 -0.721 1.00 0.00 O ATOM 1103 CB MET A 72 -0.547 11.044 0.796 1.00 0.00 C ATOM 1104 CG MET A 72 -0.541 12.539 1.093 1.00 0.00 C ATOM 1105 SD MET A 72 0.682 13.449 0.129 1.00 0.00 S ATOM 1106 CE MET A 72 2.193 12.650 0.665 1.00 0.00 C ATOM 0 H MET A 72 -1.066 12.235 -1.894 1.00 0.00 H new ATOM 0 HA MET A 72 -1.098 9.593 -0.689 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.048 10.526 1.613 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.482 10.686 0.775 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.531 12.947 0.890 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.345 12.691 2.154 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.938 13.407 0.910 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.990 12.042 1.547 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.572 12.014 -0.135 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.521 9.971 -0.046 1.00 0.00 N ATOM 1117 CA PRO A 73 -3.026 8.622 0.215 1.00 0.00 C ATOM 1118 C PRO A 73 -2.823 7.799 -1.064 1.00 0.00 C ATOM 1119 O PRO A 73 -3.525 7.986 -2.058 1.00 0.00 O ATOM 1120 CB PRO A 73 -4.112 8.016 1.094 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.372 8.741 0.741 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.968 10.095 0.209 1.00 0.00 C ATOM 0 HA PRO A 73 -2.041 8.633 0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.212 6.946 0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.873 8.138 2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.939 8.187 -0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.014 8.846 1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.512 10.343 -0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.178 10.885 0.930 1.00 0.00 H new ATOM 1130 N THR A 74 -1.858 6.890 -1.016 1.00 0.00 N ATOM 1131 CA THR A 74 -1.466 6.087 -2.167 1.00 0.00 C ATOM 1132 C THR A 74 -1.402 4.608 -1.811 1.00 0.00 C ATOM 1133 O THR A 74 -0.931 4.228 -0.740 1.00 0.00 O ATOM 1134 CB THR A 74 -0.088 6.538 -2.709 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.206 7.811 -3.355 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.518 5.521 -3.675 1.00 0.00 C ATOM 0 H THR A 74 -1.322 6.688 -0.172 1.00 0.00 H new ATOM 0 HA THR A 74 -2.224 6.234 -2.937 1.00 0.00 H new ATOM 0 HB THR A 74 0.584 6.618 -1.854 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.357 8.466 -2.892 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.484 5.884 -4.027 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.653 4.568 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.150 5.384 -4.525 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.896 3.786 -2.714 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.781 2.353 -2.593 1.00 0.00 C ATOM 1146 C LEU A 75 -0.798 1.834 -3.627 1.00 0.00 C ATOM 1147 O LEU A 75 -0.903 2.172 -4.807 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.121 1.686 -2.841 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.265 2.089 -1.919 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.158 3.142 -2.574 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.058 0.856 -1.550 1.00 0.00 C ATOM 0 H LEU A 75 -2.388 4.096 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.438 2.123 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.421 1.896 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.984 0.607 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.855 2.537 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.965 3.410 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.567 4.029 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.580 2.740 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.879 1.136 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.459 0.397 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.408 0.145 -1.040 1.00 0.00 H new ATOM 1163 N LEU A 76 0.145 1.022 -3.197 1.00 0.00 N ATOM 1164 CA LEU A 76 1.085 0.412 -4.118 1.00 0.00 C ATOM 1165 C LEU A 76 0.985 -1.105 -4.067 1.00 0.00 C ATOM 1166 O LEU A 76 1.240 -1.726 -3.036 1.00 0.00 O ATOM 1167 CB LEU A 76 2.511 0.875 -3.818 1.00 0.00 C ATOM 1168 CG LEU A 76 3.091 1.855 -4.843 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.439 2.387 -4.381 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.224 1.181 -6.201 1.00 0.00 C ATOM 0 H LEU A 76 0.282 0.769 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 76 0.829 0.732 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.527 1.346 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.159 0.000 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 76 2.406 2.698 -4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.831 3.081 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.319 2.905 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.135 1.557 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.637 1.889 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.888 0.320 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.242 0.850 -6.541 1.00 0.00 H new ATOM 1182 N LEU A 77 0.582 -1.681 -5.189 1.00 0.00 N ATOM 1183 CA LEU A 77 0.448 -3.122 -5.330 1.00 0.00 C ATOM 1184 C LEU A 77 1.681 -3.665 -6.034 1.00 0.00 C ATOM 1185 O LEU A 77 2.063 -3.172 -7.101 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.802 -3.479 -6.155 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.179 -3.333 -5.479 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.332 -1.995 -4.766 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.262 -3.480 -6.532 1.00 0.00 C ATOM 0 H LEU A 77 0.338 -1.159 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 77 0.348 -3.564 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.801 -2.856 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.700 -4.513 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.270 -4.113 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.318 -1.939 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.566 -1.903 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.221 -1.184 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.241 -3.378 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.140 -2.706 -7.290 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.184 -4.461 -7.000 1.00 0.00 H new ATOM 1201 N PHE A 78 2.301 -4.671 -5.449 1.00 0.00 N ATOM 1202 CA PHE A 78 3.482 -5.284 -6.037 1.00 0.00 C ATOM 1203 C PHE A 78 3.350 -6.803 -6.067 1.00 0.00 C ATOM 1204 O PHE A 78 2.580 -7.375 -5.296 1.00 0.00 O ATOM 1205 CB PHE A 78 4.730 -4.905 -5.243 1.00 0.00 C ATOM 1206 CG PHE A 78 5.221 -3.505 -5.488 1.00 0.00 C ATOM 1207 CD1 PHE A 78 6.138 -3.248 -6.492 1.00 0.00 C ATOM 1208 CD2 PHE A 78 4.783 -2.455 -4.705 1.00 0.00 C ATOM 1209 CE1 PHE A 78 6.605 -1.969 -6.715 1.00 0.00 C ATOM 1210 CE2 PHE A 78 5.250 -1.176 -4.922 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.161 -0.932 -5.928 1.00 0.00 C ATOM 0 H PHE A 78 2.007 -5.084 -4.564 1.00 0.00 H new ATOM 0 HA PHE A 78 3.574 -4.915 -7.059 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.519 -5.022 -4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.528 -5.605 -5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.493 -4.060 -7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.069 -2.637 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.317 -1.783 -7.505 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.901 -0.363 -4.302 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.525 0.071 -6.097 1.00 0.00 H new ATOM 1221 N LYS A 79 4.070 -7.452 -6.977 1.00 0.00 N ATOM 1222 CA LYS A 79 4.216 -8.899 -6.926 1.00 0.00 C ATOM 1223 C LYS A 79 5.680 -9.288 -7.160 1.00 0.00 C ATOM 1224 O LYS A 79 6.279 -8.877 -8.153 1.00 0.00 O ATOM 1225 CB LYS A 79 3.313 -9.569 -7.963 1.00 0.00 C ATOM 1226 CG LYS A 79 3.217 -11.077 -7.791 1.00 0.00 C ATOM 1227 CD LYS A 79 2.364 -11.721 -8.871 1.00 0.00 C ATOM 1228 CE LYS A 79 0.908 -11.299 -8.765 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.067 -11.962 -9.792 1.00 0.00 N ATOM 0 H LYS A 79 4.557 -7.002 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 79 3.914 -9.245 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.314 -9.138 -7.897 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.691 -9.347 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.218 -11.509 -7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.794 -11.304 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.752 -11.447 -9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.435 -12.806 -8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.530 -11.543 -7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.834 -10.217 -8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.926 -11.961 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.149 -11.448 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.388 -12.943 -9.923 1.00 0.00 H new ATOM 1243 N ASN A 80 6.240 -10.061 -6.220 1.00 0.00 N ATOM 1244 CA ASN A 80 7.628 -10.566 -6.282 1.00 0.00 C ATOM 1245 C ASN A 80 8.648 -9.512 -6.730 1.00 0.00 C ATOM 1246 O ASN A 80 9.376 -9.705 -7.709 1.00 0.00 O ATOM 1247 CB ASN A 80 7.762 -11.839 -7.141 1.00 0.00 C ATOM 1248 CG ASN A 80 7.047 -11.784 -8.481 1.00 0.00 C ATOM 1249 OD1 ASN A 80 5.913 -12.247 -8.612 1.00 0.00 O ATOM 1250 ND2 ASN A 80 7.704 -11.226 -9.483 1.00 0.00 N ATOM 0 H ASN A 80 5.740 -10.360 -5.383 1.00 0.00 H new ATOM 0 HA ASN A 80 7.867 -10.825 -5.251 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.820 -12.031 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.375 -12.685 -6.573 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.273 -11.167 -10.406 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.642 -10.854 -9.334 1.00 0.00 H new ATOM 1257 N GLY A 81 8.693 -8.399 -6.008 1.00 0.00 N ATOM 1258 CA GLY A 81 9.696 -7.370 -6.257 1.00 0.00 C ATOM 1259 C GLY A 81 9.361 -6.508 -7.451 1.00 0.00 C ATOM 1260 O GLY A 81 10.080 -5.560 -7.768 1.00 0.00 O ATOM 0 H GLY A 81 8.048 -8.186 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.791 -6.739 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.665 -7.843 -6.416 1.00 0.00 H new ATOM 1264 N LYS A 82 8.258 -6.822 -8.101 1.00 0.00 N ATOM 1265 CA LYS A 82 7.832 -6.104 -9.278 1.00 0.00 C ATOM 1266 C LYS A 82 6.483 -5.483 -8.995 1.00 0.00 C ATOM 1267 O LYS A 82 5.798 -5.907 -8.077 1.00 0.00 O ATOM 1268 CB LYS A 82 7.752 -7.059 -10.470 1.00 0.00 C ATOM 1269 CG LYS A 82 9.053 -7.800 -10.733 1.00 0.00 C ATOM 1270 CD LYS A 82 8.933 -8.749 -11.913 1.00 0.00 C ATOM 1271 CE LYS A 82 10.293 -9.289 -12.330 1.00 0.00 C ATOM 1272 NZ LYS A 82 11.017 -9.930 -11.199 1.00 0.00 N ATOM 0 H LYS A 82 7.635 -7.581 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 82 8.548 -5.320 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.958 -7.784 -10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.476 -6.495 -11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.849 -7.080 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.338 -8.361 -9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.276 -9.578 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.472 -8.231 -12.754 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.163 -10.015 -13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.897 -8.475 -12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.836 -10.457 -11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.344 -9.198 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.378 -10.584 -10.704 1.00 0.00 H new ATOM 1286 N GLU A 83 6.102 -4.480 -9.756 1.00 0.00 N ATOM 1287 CA GLU A 83 4.837 -3.802 -9.534 1.00 0.00 C ATOM 1288 C GLU A 83 3.680 -4.694 -9.979 1.00 0.00 C ATOM 1289 O GLU A 83 3.893 -5.839 -10.385 1.00 0.00 O ATOM 1290 CB GLU A 83 4.840 -2.486 -10.317 1.00 0.00 C ATOM 1291 CG GLU A 83 3.757 -1.502 -9.905 1.00 0.00 C ATOM 1292 CD GLU A 83 3.953 -0.147 -10.554 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.657 0.704 -9.971 1.00 0.00 O ATOM 1294 OE2 GLU A 83 3.414 0.065 -11.663 1.00 0.00 O ATOM 0 H GLU A 83 6.648 -4.113 -10.535 1.00 0.00 H new ATOM 0 HA GLU A 83 4.709 -3.589 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.812 -2.008 -10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.725 -2.709 -11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.780 -1.900 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.761 -1.390 -8.821 1.00 0.00 H new ATOM 1301 N VAL A 84 2.463 -4.190 -9.809 1.00 0.00 N ATOM 1302 CA VAL A 84 1.285 -4.719 -10.480 1.00 0.00 C ATOM 1303 C VAL A 84 0.243 -3.618 -10.630 1.00 0.00 C ATOM 1304 O VAL A 84 -0.495 -3.593 -11.613 1.00 0.00 O ATOM 1305 CB VAL A 84 0.648 -5.941 -9.786 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.301 -7.242 -10.224 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.733 -5.803 -8.291 1.00 0.00 C ATOM 0 H VAL A 84 2.266 -3.398 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 84 1.629 -5.071 -11.452 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.400 -5.974 -10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.824 -8.078 -9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.186 -7.362 -11.301 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.361 -7.220 -9.972 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.279 -6.674 -7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.778 -5.732 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.203 -4.903 -7.978 1.00 0.00 H new ATOM 1317 N ALA A 85 0.201 -2.690 -9.665 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.723 -1.561 -9.737 1.00 0.00 C ATOM 1319 C ALA A 85 -0.420 -0.508 -8.677 1.00 0.00 C ATOM 1320 O ALA A 85 0.214 -0.795 -7.668 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.162 -2.044 -9.612 1.00 0.00 C ATOM 0 H ALA A 85 0.792 -2.702 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.589 -1.090 -10.711 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.838 -1.191 -9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.385 -2.737 -10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.294 -2.550 -8.656 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.861 0.721 -8.931 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.716 1.814 -7.977 1.00 0.00 C ATOM 1329 C LYS A 86 -1.858 2.815 -8.139 1.00 0.00 C ATOM 1330 O LYS A 86 -2.189 3.217 -9.255 1.00 0.00 O ATOM 1331 CB LYS A 86 0.637 2.527 -8.132 1.00 0.00 C ATOM 1332 CG LYS A 86 0.863 3.219 -9.474 1.00 0.00 C ATOM 1333 CD LYS A 86 1.224 2.234 -10.572 1.00 0.00 C ATOM 1334 CE LYS A 86 1.633 2.947 -11.848 1.00 0.00 C ATOM 1335 NZ LYS A 86 2.021 1.987 -12.912 1.00 0.00 N ATOM 0 H LYS A 86 -1.326 0.985 -9.799 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.754 1.384 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.730 3.269 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.432 1.797 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.038 3.762 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.660 3.955 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.039 1.594 -10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.372 1.585 -10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.808 3.566 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.468 3.616 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.406 2.508 -13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.743 1.335 -12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.186 1.445 -13.212 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.473 3.195 -7.025 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.608 4.112 -7.051 1.00 0.00 C ATOM 1351 C VAL A 87 -3.432 5.200 -6.002 1.00 0.00 C ATOM 1352 O VAL A 87 -3.117 4.912 -4.849 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.950 3.379 -6.819 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -6.118 4.351 -6.901 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -5.131 2.246 -7.820 1.00 0.00 C ATOM 0 H VAL A 87 -2.205 2.883 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.638 4.561 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.928 2.950 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.051 3.813 -6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.003 5.123 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.137 4.814 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.082 1.746 -7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.123 2.650 -8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.317 1.529 -7.709 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.642 6.446 -6.397 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.467 7.574 -5.492 1.00 0.00 C ATOM 1367 C VAL A 88 -4.803 8.041 -4.910 1.00 0.00 C ATOM 1368 O VAL A 88 -5.131 9.231 -4.942 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.755 8.754 -6.195 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.305 8.402 -6.484 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.471 9.137 -7.485 1.00 0.00 C ATOM 0 H VAL A 88 -3.934 6.703 -7.340 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.838 7.228 -4.672 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.783 9.612 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.818 9.242 -6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.790 8.184 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.265 7.527 -7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.949 9.969 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.482 8.283 -8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.495 9.433 -7.258 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.570 7.103 -4.365 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.848 7.447 -3.788 1.00 0.00 C ATOM 1383 C GLY A 89 -7.659 6.224 -3.433 1.00 0.00 C ATOM 1384 O GLY A 89 -7.741 5.278 -4.216 1.00 0.00 O ATOM 0 H GLY A 89 -5.327 6.114 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.691 8.049 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.409 8.062 -4.492 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.245 6.236 -2.248 1.00 0.00 N ATOM 1389 CA ALA A 90 -9.079 5.142 -1.797 1.00 0.00 C ATOM 1390 C ALA A 90 -10.322 5.010 -2.645 1.00 0.00 C ATOM 1391 O ALA A 90 -11.185 5.889 -2.656 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.463 5.345 -0.357 1.00 0.00 C ATOM 0 H ALA A 90 -8.155 7.000 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.504 4.221 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.090 4.517 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.563 5.386 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.014 6.280 -0.256 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.393 3.926 -3.375 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.575 3.610 -4.135 1.00 0.00 C ATOM 1400 C ASN A 91 -12.164 2.313 -3.607 1.00 0.00 C ATOM 1401 O ASN A 91 -11.807 1.238 -4.076 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.223 3.499 -5.613 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.173 4.295 -6.487 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.433 3.930 -7.633 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -12.689 5.397 -5.961 1.00 0.00 N ATOM 0 H ASN A 91 -9.640 3.243 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.318 4.401 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.204 3.853 -5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.247 2.451 -5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.325 5.975 -6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.450 5.667 -5.007 1.00 0.00 H new ATOM 1412 N PRO A 92 -13.071 2.422 -2.617 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.605 1.298 -1.839 1.00 0.00 C ATOM 1414 C PRO A 92 -13.646 -0.041 -2.576 1.00 0.00 C ATOM 1415 O PRO A 92 -12.891 -0.957 -2.254 1.00 0.00 O ATOM 1416 CB PRO A 92 -15.011 1.783 -1.516 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.865 3.259 -1.337 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.669 3.691 -2.160 1.00 0.00 C ATOM 0 HA PRO A 92 -12.974 1.074 -0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.707 1.548 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.397 1.310 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.766 3.778 -1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.719 3.507 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.968 4.316 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.965 4.272 -1.565 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.503 -0.150 -3.575 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.685 -1.410 -4.273 1.00 0.00 C ATOM 1428 C ALA A 93 -13.647 -1.605 -5.367 1.00 0.00 C ATOM 1429 O ALA A 93 -13.129 -2.704 -5.537 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.089 -1.497 -4.850 1.00 0.00 C ATOM 0 H ALA A 93 -15.082 0.615 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.549 -2.212 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.210 -2.447 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.819 -1.429 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.246 -0.677 -5.551 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.330 -0.539 -6.089 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.408 -0.633 -7.219 1.00 0.00 C ATOM 1438 C ALA A 94 -11.005 -1.023 -6.768 1.00 0.00 C ATOM 1439 O ALA A 94 -10.271 -1.678 -7.506 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.365 0.673 -7.990 1.00 0.00 C ATOM 0 H ALA A 94 -13.694 0.398 -5.916 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.781 -1.418 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.672 0.579 -8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.361 0.905 -8.368 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.031 1.474 -7.330 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.640 -0.628 -5.558 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.336 -0.973 -5.011 1.00 0.00 C ATOM 1448 C ILE A 95 -9.310 -2.432 -4.598 1.00 0.00 C ATOM 1449 O ILE A 95 -8.431 -3.190 -5.005 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.961 -0.099 -3.797 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.686 1.340 -4.229 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.749 -0.672 -3.086 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.556 1.471 -5.224 1.00 0.00 C ATOM 0 H ILE A 95 -11.226 -0.070 -4.937 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.604 -0.791 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.805 -0.096 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.593 1.758 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.452 1.936 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.497 -0.043 -2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.973 -1.681 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.904 -0.704 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.420 2.521 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.637 1.084 -4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.795 0.903 -6.123 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.300 -2.825 -3.811 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.402 -4.194 -3.333 1.00 0.00 C ATOM 1467 C LYS A 96 -10.623 -5.150 -4.501 1.00 0.00 C ATOM 1468 O LYS A 96 -10.322 -6.337 -4.415 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.535 -4.305 -2.314 1.00 0.00 C ATOM 1470 CG LYS A 96 -11.344 -3.394 -1.110 1.00 0.00 C ATOM 1471 CD LYS A 96 -12.365 -3.647 -0.006 1.00 0.00 C ATOM 1472 CE LYS A 96 -13.797 -3.368 -0.448 1.00 0.00 C ATOM 1473 NZ LYS A 96 -14.370 -4.471 -1.267 1.00 0.00 N ATOM 0 H LYS A 96 -11.048 -2.211 -3.489 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.468 -4.471 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.479 -4.061 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.610 -5.338 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.340 -3.536 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.415 -2.355 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.287 -4.683 0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.127 -3.020 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.421 -3.212 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.822 -2.443 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.368 -4.612 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.304 -4.225 -2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.839 -5.347 -1.089 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.149 -4.620 -5.592 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.297 -5.389 -6.819 1.00 0.00 C ATOM 1489 C GLN A 97 -9.990 -5.391 -7.609 1.00 0.00 C ATOM 1490 O GLN A 97 -9.710 -6.328 -8.359 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.435 -4.817 -7.672 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.727 -5.618 -8.933 1.00 0.00 C ATOM 1493 CD GLN A 97 -13.067 -7.066 -8.636 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -14.226 -7.411 -8.409 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.059 -7.924 -8.641 1.00 0.00 N ATOM 0 H GLN A 97 -11.482 -3.658 -5.655 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.543 -6.418 -6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.340 -4.769 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.185 -3.794 -7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.556 -5.156 -9.469 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.860 -5.580 -9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.112 -7.597 -8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.229 -8.912 -8.452 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.174 -4.362 -7.411 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.913 -4.250 -8.121 1.00 0.00 C ATOM 1506 C ALA A 98 -6.953 -5.276 -7.582 1.00 0.00 C ATOM 1507 O ALA A 98 -6.417 -6.092 -8.315 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.331 -2.855 -7.981 1.00 0.00 C ATOM 0 H ALA A 98 -9.366 -3.596 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.085 -4.431 -9.182 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.387 -2.799 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.029 -2.126 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.159 -2.637 -6.927 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.780 -5.246 -6.282 1.00 0.00 N ATOM 1515 CA ILE A 99 -5.912 -6.175 -5.585 1.00 0.00 C ATOM 1516 C ILE A 99 -6.210 -7.624 -5.976 1.00 0.00 C ATOM 1517 O ILE A 99 -5.296 -8.402 -6.243 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.074 -5.987 -4.080 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -5.749 -4.539 -3.744 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.169 -6.945 -3.331 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -6.556 -4.004 -2.602 1.00 0.00 C ATOM 0 H ILE A 99 -7.240 -4.572 -5.670 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.882 -5.965 -5.872 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.098 -6.206 -3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.689 -4.458 -3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.923 -3.920 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.294 -6.800 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.430 -7.971 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.131 -6.754 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.276 -2.968 -2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.616 -4.054 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.364 -4.600 -1.710 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.494 -7.965 -6.049 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.910 -9.302 -6.460 1.00 0.00 C ATOM 1535 C ALA A 100 -7.532 -9.570 -7.919 1.00 0.00 C ATOM 1536 O ALA A 100 -7.220 -10.699 -8.295 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.408 -9.474 -6.259 1.00 0.00 C ATOM 0 H ALA A 100 -8.264 -7.333 -5.829 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.387 -10.028 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.704 -10.476 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.652 -9.334 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.942 -8.736 -6.857 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.557 -8.519 -8.731 1.00 0.00 N ATOM 1544 CA ALA A 101 -7.218 -8.620 -10.147 1.00 0.00 C ATOM 1545 C ALA A 101 -5.716 -8.803 -10.348 1.00 0.00 C ATOM 1546 O ALA A 101 -5.281 -9.525 -11.247 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.684 -7.373 -10.887 1.00 0.00 C ATOM 0 H ALA A 101 -7.811 -7.578 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.727 -9.496 -10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.426 -7.459 -11.943 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.764 -7.271 -10.784 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.195 -6.495 -10.464 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.930 -8.137 -9.515 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.475 -8.164 -9.638 1.00 0.00 C ATOM 1555 C ASN A 102 -2.895 -9.405 -8.976 1.00 0.00 C ATOM 1556 O ASN A 102 -1.751 -9.778 -9.235 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.863 -6.896 -9.037 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.314 -5.643 -9.763 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.746 -5.259 -10.784 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.320 -4.982 -9.221 1.00 0.00 N ATOM 0 H ASN A 102 -5.275 -7.568 -8.742 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.225 -8.200 -10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.140 -6.824 -7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.776 -6.965 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.653 -4.119 -9.650 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.764 -5.335 -8.373 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.685 -10.036 -8.118 1.00 0.00 N ATOM 1568 CA ALA A 103 -3.280 -11.280 -7.481 1.00 0.00 C ATOM 1569 C ALA A 103 -3.413 -12.444 -8.457 1.00 0.00 C ATOM 1570 O ALA A 103 -2.402 -12.801 -9.098 1.00 0.00 O ATOM 1571 CB ALA A 103 -4.110 -11.534 -6.230 1.00 0.00 C ATOM 1572 OXT ALA A 103 -4.529 -12.985 -8.596 1.00 0.00 O ATOM 0 H ALA A 103 -4.611 -9.706 -7.847 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.234 -11.194 -7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.793 -12.468 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.968 -10.714 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.164 -11.602 -6.500 1.00 0.00 H new