USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 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 Single : A 1 ALA N :NH3+ 141:sc= 0.0629 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.073 USER MOD Single : A 3 MET CE :methyl -172:sc= -2.38 (180deg=-2.64!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.198 K(o=-0.2,f=-3.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0503) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -94:sc= 0.846 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 150:sc= -1.81 (180deg=-2.45!) USER MOD Single : A 51 GLN : amide:sc=-0.00519 K(o=-0.0052,f=-1.6!) USER MOD Single : A 52 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.8!) USER MOD Single : A 54 THR OG1 : rot -37:sc= -0.0646! USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.0647 (180deg=-0.88) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 81 MET CE :methyl -141:sc= -0.293 (180deg=-1.66!) USER MOD Single : A 82 MET CE :methyl -176:sc= -0.193 (180deg=-0.228) USER MOD Single : A 85 GLN : amide:sc= -0.683 K(o=-0.68,f=-0.16) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.905 -7.162 -13.813 1.00 0.00 N ATOM 2 CA ALA A 1 -14.465 -7.079 -12.434 1.00 0.00 C ATOM 3 C ALA A 1 -13.999 -5.782 -11.771 1.00 0.00 C ATOM 4 O ALA A 1 -12.953 -5.251 -12.089 1.00 0.00 O ATOM 5 CB ALA A 1 -13.979 -8.276 -11.613 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.625 -8.143 -14.015 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.626 -6.859 -14.499 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.074 -6.542 -13.888 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.554 -7.090 -12.483 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.388 -8.216 -10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.312 -9.200 -12.085 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.890 -8.266 -11.564 1.00 0.00 H new ATOM 13 N SER A 2 -14.766 -5.268 -10.849 1.00 0.00 N ATOM 14 CA SER A 2 -14.367 -4.006 -10.165 1.00 0.00 C ATOM 15 C SER A 2 -13.075 -4.242 -9.378 1.00 0.00 C ATOM 16 O SER A 2 -12.215 -4.993 -9.794 1.00 0.00 O ATOM 17 CB SER A 2 -15.480 -3.573 -9.210 1.00 0.00 C ATOM 18 OG SER A 2 -16.736 -3.984 -9.735 1.00 0.00 O ATOM 0 H SER A 2 -15.652 -5.668 -10.540 1.00 0.00 H new ATOM 0 HA SER A 2 -14.202 -3.223 -10.905 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.322 -4.014 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.463 -2.491 -9.081 1.00 0.00 H new ATOM 0 HG SER A 2 -17.452 -3.709 -9.124 1.00 0.00 H new ATOM 24 N MET A 3 -12.927 -3.610 -8.245 1.00 0.00 N ATOM 25 CA MET A 3 -11.688 -3.804 -7.442 1.00 0.00 C ATOM 26 C MET A 3 -12.058 -4.300 -6.042 1.00 0.00 C ATOM 27 O MET A 3 -11.324 -4.110 -5.093 1.00 0.00 O ATOM 28 CB MET A 3 -10.937 -2.477 -7.332 1.00 0.00 C ATOM 29 CG MET A 3 -11.907 -1.376 -6.901 1.00 0.00 C ATOM 30 SD MET A 3 -11.041 -0.188 -5.848 1.00 0.00 S ATOM 31 CE MET A 3 -10.796 -1.284 -4.430 1.00 0.00 C ATOM 0 H MET A 3 -13.610 -2.969 -7.842 1.00 0.00 H new ATOM 0 HA MET A 3 -11.051 -4.541 -7.931 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.126 -2.565 -6.609 1.00 0.00 H new ATOM 0 HB3 MET A 3 -10.484 -2.223 -8.290 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.314 -0.872 -7.777 1.00 0.00 H new ATOM 0 HG3 MET A 3 -12.750 -1.809 -6.362 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.398 -0.712 -3.592 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.749 -1.729 -4.145 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.093 -2.073 -4.697 1.00 0.00 H new ATOM 41 N THR A 4 -13.188 -4.938 -5.907 1.00 0.00 N ATOM 42 CA THR A 4 -13.600 -5.449 -4.568 1.00 0.00 C ATOM 43 C THR A 4 -12.844 -6.745 -4.270 1.00 0.00 C ATOM 44 O THR A 4 -11.832 -6.743 -3.598 1.00 0.00 O ATOM 45 CB THR A 4 -15.107 -5.719 -4.565 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.807 -4.484 -4.524 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.479 -6.556 -3.340 1.00 0.00 C ATOM 0 H THR A 4 -13.844 -5.128 -6.665 1.00 0.00 H new ATOM 0 HA THR A 4 -13.367 -4.707 -3.804 1.00 0.00 H new ATOM 0 HB THR A 4 -15.378 -6.264 -5.469 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.772 -4.655 -4.524 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.552 -6.746 -3.341 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.943 -7.504 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.208 -6.015 -2.434 1.00 0.00 H new ATOM 55 N ASP A 5 -13.325 -7.852 -4.767 1.00 0.00 N ATOM 56 CA ASP A 5 -12.627 -9.142 -4.514 1.00 0.00 C ATOM 57 C ASP A 5 -11.172 -9.027 -4.972 1.00 0.00 C ATOM 58 O ASP A 5 -10.322 -9.801 -4.579 1.00 0.00 O ATOM 59 CB ASP A 5 -13.321 -10.261 -5.294 1.00 0.00 C ATOM 60 CG ASP A 5 -13.249 -11.562 -4.491 1.00 0.00 C ATOM 61 OD1 ASP A 5 -14.010 -11.694 -3.547 1.00 0.00 O ATOM 62 OD2 ASP A 5 -12.435 -12.402 -4.836 1.00 0.00 O ATOM 0 H ASP A 5 -14.169 -7.918 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.658 -9.371 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.361 -9.996 -5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.843 -10.393 -6.265 1.00 0.00 H new ATOM 67 N GLN A 6 -10.881 -8.064 -5.802 1.00 0.00 N ATOM 68 CA GLN A 6 -9.484 -7.894 -6.287 1.00 0.00 C ATOM 69 C GLN A 6 -8.513 -8.053 -5.115 1.00 0.00 C ATOM 70 O GLN A 6 -7.430 -8.585 -5.261 1.00 0.00 O ATOM 71 CB GLN A 6 -9.325 -6.498 -6.898 1.00 0.00 C ATOM 72 CG GLN A 6 -8.271 -6.540 -8.005 1.00 0.00 C ATOM 73 CD GLN A 6 -8.150 -5.159 -8.650 1.00 0.00 C ATOM 74 OE1 GLN A 6 -8.545 -4.968 -9.784 1.00 0.00 O ATOM 75 NE2 GLN A 6 -7.618 -4.179 -7.972 1.00 0.00 N ATOM 0 H GLN A 6 -11.552 -7.387 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.266 -8.649 -7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.278 -6.156 -7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.031 -5.784 -6.128 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.309 -6.846 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.547 -7.280 -8.756 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.286 -4.338 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.534 -3.254 -8.393 1.00 0.00 H new ATOM 84 N GLN A 7 -8.891 -7.596 -3.951 1.00 0.00 N ATOM 85 CA GLN A 7 -7.986 -7.723 -2.772 1.00 0.00 C ATOM 86 C GLN A 7 -8.182 -9.092 -2.119 1.00 0.00 C ATOM 87 O GLN A 7 -7.259 -9.671 -1.582 1.00 0.00 O ATOM 88 CB GLN A 7 -8.309 -6.622 -1.759 1.00 0.00 C ATOM 89 CG GLN A 7 -9.823 -6.551 -1.545 1.00 0.00 C ATOM 90 CD GLN A 7 -10.118 -6.019 -0.141 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.243 -5.978 0.702 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.321 -5.607 0.149 1.00 0.00 N ATOM 0 H GLN A 7 -9.785 -7.141 -3.766 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.951 -7.624 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.807 -6.825 -0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.937 -5.663 -2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.276 -5.901 -2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.265 -7.539 -1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.056 -5.641 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.527 -5.251 1.082 1.00 0.00 H new ATOM 101 N ALA A 8 -9.376 -9.617 -2.162 1.00 0.00 N ATOM 102 CA ALA A 8 -9.624 -10.950 -1.544 1.00 0.00 C ATOM 103 C ALA A 8 -8.605 -11.955 -2.085 1.00 0.00 C ATOM 104 O ALA A 8 -8.195 -12.870 -1.399 1.00 0.00 O ATOM 105 CB ALA A 8 -11.039 -11.418 -1.891 1.00 0.00 C ATOM 0 H ALA A 8 -10.189 -9.181 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.524 -10.876 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.221 -12.393 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.764 -10.700 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.142 -11.495 -2.973 1.00 0.00 H new ATOM 111 N GLU A 9 -8.195 -11.790 -3.313 1.00 0.00 N ATOM 112 CA GLU A 9 -7.202 -12.731 -3.903 1.00 0.00 C ATOM 113 C GLU A 9 -5.822 -12.467 -3.295 1.00 0.00 C ATOM 114 O GLU A 9 -5.040 -13.374 -3.090 1.00 0.00 O ATOM 115 CB GLU A 9 -7.140 -12.517 -5.417 1.00 0.00 C ATOM 116 CG GLU A 9 -6.996 -13.868 -6.120 1.00 0.00 C ATOM 117 CD GLU A 9 -6.410 -13.655 -7.517 1.00 0.00 C ATOM 118 OE1 GLU A 9 -5.738 -12.657 -7.710 1.00 0.00 O ATOM 119 OE2 GLU A 9 -6.645 -14.495 -8.370 1.00 0.00 O ATOM 0 H GLU A 9 -8.506 -11.043 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.501 -13.757 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.042 -12.011 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.298 -11.873 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.349 -14.525 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.967 -14.358 -6.192 1.00 0.00 H new ATOM 126 N ALA A 10 -5.516 -11.231 -3.007 1.00 0.00 N ATOM 127 CA ALA A 10 -4.185 -10.910 -2.417 1.00 0.00 C ATOM 128 C ALA A 10 -4.092 -11.501 -1.007 1.00 0.00 C ATOM 129 O ALA A 10 -3.170 -12.227 -0.688 1.00 0.00 O ATOM 130 CB ALA A 10 -4.012 -9.392 -2.345 1.00 0.00 C ATOM 0 H ALA A 10 -6.130 -10.430 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.400 -11.337 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.039 -9.157 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.076 -8.971 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.798 -8.965 -1.722 1.00 0.00 H new ATOM 136 N ARG A 11 -5.035 -11.195 -0.159 1.00 0.00 N ATOM 137 CA ARG A 11 -4.995 -11.740 1.227 1.00 0.00 C ATOM 138 C ARG A 11 -4.748 -13.248 1.175 1.00 0.00 C ATOM 139 O ARG A 11 -4.015 -13.793 1.977 1.00 0.00 O ATOM 140 CB ARG A 11 -6.329 -11.466 1.925 1.00 0.00 C ATOM 141 CG ARG A 11 -6.069 -10.982 3.352 1.00 0.00 C ATOM 142 CD ARG A 11 -7.272 -10.181 3.848 1.00 0.00 C ATOM 143 NE ARG A 11 -8.359 -11.115 4.257 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.208 -11.867 5.313 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.223 -11.332 6.503 1.00 0.00 N ATOM 146 NH2 ARG A 11 -8.041 -13.154 5.177 1.00 0.00 N ATOM 0 H ARG A 11 -5.831 -10.592 -0.366 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.190 -11.258 1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.893 -10.715 1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.935 -12.372 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.890 -11.833 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.171 -10.364 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.982 -9.553 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.628 -9.515 3.062 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.220 -11.166 3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.353 -10.326 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.105 -11.920 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.029 -13.571 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.923 -13.743 6.001 1.00 0.00 H new ATOM 160 N ALA A 12 -5.354 -13.926 0.239 1.00 0.00 N ATOM 161 CA ALA A 12 -5.153 -15.399 0.136 1.00 0.00 C ATOM 162 C ALA A 12 -3.671 -15.724 0.326 1.00 0.00 C ATOM 163 O ALA A 12 -3.310 -16.603 1.082 1.00 0.00 O ATOM 164 CB ALA A 12 -5.607 -15.878 -1.245 1.00 0.00 C ATOM 0 H ALA A 12 -5.980 -13.523 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.737 -15.902 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.461 -16.955 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.663 -15.644 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.021 -15.376 -2.015 1.00 0.00 H new ATOM 170 N PHE A 13 -2.810 -15.017 -0.352 1.00 0.00 N ATOM 171 CA PHE A 13 -1.352 -15.281 -0.209 1.00 0.00 C ATOM 172 C PHE A 13 -0.852 -14.655 1.093 1.00 0.00 C ATOM 173 O PHE A 13 -0.020 -15.211 1.783 1.00 0.00 O ATOM 174 CB PHE A 13 -0.599 -14.663 -1.391 1.00 0.00 C ATOM 175 CG PHE A 13 -1.456 -14.741 -2.631 1.00 0.00 C ATOM 176 CD1 PHE A 13 -1.696 -15.979 -3.239 1.00 0.00 C ATOM 177 CD2 PHE A 13 -2.007 -13.575 -3.176 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.489 -16.051 -4.391 1.00 0.00 C ATOM 179 CE2 PHE A 13 -2.800 -13.647 -4.328 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.040 -14.886 -4.936 1.00 0.00 C ATOM 0 H PHE A 13 -3.054 -14.267 -0.999 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.177 -16.357 -0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.349 -13.625 -1.174 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.341 -15.190 -1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.270 -16.878 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.820 -12.620 -2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.675 -17.006 -4.859 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.226 -12.748 -4.747 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.650 -14.942 -5.825 1.00 0.00 H new ATOM 190 N LEU A 14 -1.355 -13.501 1.436 1.00 0.00 N ATOM 191 CA LEU A 14 -0.910 -12.840 2.694 1.00 0.00 C ATOM 192 C LEU A 14 -1.692 -13.417 3.876 1.00 0.00 C ATOM 193 O LEU A 14 -2.566 -12.777 4.427 1.00 0.00 O ATOM 194 CB LEU A 14 -1.165 -11.333 2.602 1.00 0.00 C ATOM 195 CG LEU A 14 -0.913 -10.857 1.170 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.980 -9.329 1.119 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.473 -11.318 0.714 1.00 0.00 C ATOM 0 H LEU A 14 -2.054 -12.988 0.899 1.00 0.00 H new ATOM 0 HA LEU A 14 0.156 -13.018 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.191 -11.109 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.512 -10.800 3.293 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.673 -11.278 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.800 -8.991 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.966 -8.997 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.221 -8.909 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.652 -10.979 -0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.232 -10.898 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.524 -12.406 0.749 1.00 0.00 H new ATOM 209 N SER A 15 -1.385 -14.623 4.272 1.00 0.00 N ATOM 210 CA SER A 15 -2.109 -15.239 5.419 1.00 0.00 C ATOM 211 C SER A 15 -2.227 -14.218 6.552 1.00 0.00 C ATOM 212 O SER A 15 -1.559 -13.203 6.555 1.00 0.00 O ATOM 213 CB SER A 15 -1.333 -16.461 5.912 1.00 0.00 C ATOM 214 OG SER A 15 -1.639 -17.578 5.089 1.00 0.00 O ATOM 0 H SER A 15 -0.664 -15.208 3.850 1.00 0.00 H new ATOM 0 HA SER A 15 -3.105 -15.545 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.262 -16.260 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.593 -16.677 6.948 1.00 0.00 H new ATOM 0 HG SER A 15 -1.141 -18.362 5.403 1.00 0.00 H new ATOM 220 N GLU A 16 -3.069 -14.474 7.514 1.00 0.00 N ATOM 221 CA GLU A 16 -3.224 -13.514 8.644 1.00 0.00 C ATOM 222 C GLU A 16 -1.842 -13.121 9.173 1.00 0.00 C ATOM 223 O GLU A 16 -1.670 -12.079 9.775 1.00 0.00 O ATOM 224 CB GLU A 16 -4.031 -14.169 9.767 1.00 0.00 C ATOM 225 CG GLU A 16 -5.238 -13.294 10.108 1.00 0.00 C ATOM 226 CD GLU A 16 -5.498 -13.351 11.615 1.00 0.00 C ATOM 227 OE1 GLU A 16 -4.903 -14.192 12.268 1.00 0.00 O ATOM 228 OE2 GLU A 16 -6.289 -12.552 12.091 1.00 0.00 O ATOM 0 H GLU A 16 -3.657 -15.306 7.567 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.747 -12.624 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.363 -15.161 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.405 -14.302 10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.054 -12.265 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.117 -13.639 9.563 1.00 0.00 H new ATOM 235 N GLU A 17 -0.856 -13.948 8.958 1.00 0.00 N ATOM 236 CA GLU A 17 0.511 -13.623 9.453 1.00 0.00 C ATOM 237 C GLU A 17 1.152 -12.575 8.540 1.00 0.00 C ATOM 238 O GLU A 17 1.750 -11.622 8.998 1.00 0.00 O ATOM 239 CB GLU A 17 1.366 -14.892 9.457 1.00 0.00 C ATOM 240 CG GLU A 17 0.844 -15.853 10.528 1.00 0.00 C ATOM 241 CD GLU A 17 0.420 -17.169 9.872 1.00 0.00 C ATOM 242 OE1 GLU A 17 1.056 -17.557 8.906 1.00 0.00 O ATOM 243 OE2 GLU A 17 -0.533 -17.764 10.346 1.00 0.00 O ATOM 0 H GLU A 17 -0.938 -14.835 8.461 1.00 0.00 H new ATOM 0 HA GLU A 17 0.445 -13.226 10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.333 -15.369 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.408 -14.641 9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.618 -16.039 11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.002 -15.406 11.051 1.00 0.00 H new ATOM 250 N MET A 18 1.033 -12.743 7.252 1.00 0.00 N ATOM 251 CA MET A 18 1.639 -11.755 6.314 1.00 0.00 C ATOM 252 C MET A 18 1.203 -10.343 6.709 1.00 0.00 C ATOM 253 O MET A 18 1.980 -9.410 6.671 1.00 0.00 O ATOM 254 CB MET A 18 1.170 -12.051 4.888 1.00 0.00 C ATOM 255 CG MET A 18 2.101 -13.083 4.248 1.00 0.00 C ATOM 256 SD MET A 18 3.092 -12.286 2.961 1.00 0.00 S ATOM 257 CE MET A 18 4.245 -13.652 2.688 1.00 0.00 C ATOM 0 H MET A 18 0.543 -13.520 6.808 1.00 0.00 H new ATOM 0 HA MET A 18 2.725 -11.828 6.363 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.147 -12.427 4.901 1.00 0.00 H new ATOM 0 HB3 MET A 18 1.165 -11.135 4.298 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.752 -13.520 5.005 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.518 -13.899 3.820 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.962 -13.374 1.916 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.776 -13.871 3.615 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.693 -14.536 2.369 1.00 0.00 H new ATOM 267 N ILE A 19 -0.034 -10.178 7.085 1.00 0.00 N ATOM 268 CA ILE A 19 -0.520 -8.826 7.482 1.00 0.00 C ATOM 269 C ILE A 19 -0.022 -8.500 8.889 1.00 0.00 C ATOM 270 O ILE A 19 0.164 -7.352 9.242 1.00 0.00 O ATOM 271 CB ILE A 19 -2.049 -8.813 7.469 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.546 -9.186 6.070 1.00 0.00 C ATOM 273 CG2 ILE A 19 -2.551 -7.417 7.835 1.00 0.00 C ATOM 274 CD1 ILE A 19 -2.965 -10.656 6.053 1.00 0.00 C ATOM 0 H ILE A 19 -0.731 -10.921 7.135 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.142 -8.082 6.781 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.427 -9.534 8.194 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.389 -8.553 5.791 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.760 -9.012 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.641 -7.408 7.826 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.195 -7.152 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.176 -6.694 7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.319 -10.922 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.111 -11.281 6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.765 -10.815 6.777 1.00 0.00 H new ATOM 286 N ALA A 20 0.194 -9.501 9.696 1.00 0.00 N ATOM 287 CA ALA A 20 0.679 -9.253 11.082 1.00 0.00 C ATOM 288 C ALA A 20 2.170 -8.907 11.048 1.00 0.00 C ATOM 289 O ALA A 20 2.731 -8.442 12.020 1.00 0.00 O ATOM 290 CB ALA A 20 0.467 -10.510 11.925 1.00 0.00 C ATOM 0 H ALA A 20 0.055 -10.482 9.455 1.00 0.00 H new ATOM 0 HA ALA A 20 0.124 -8.422 11.519 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.821 -10.331 12.940 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.594 -10.757 11.949 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.023 -11.339 11.488 1.00 0.00 H new ATOM 296 N GLU A 21 2.815 -9.131 9.936 1.00 0.00 N ATOM 297 CA GLU A 21 4.268 -8.816 9.843 1.00 0.00 C ATOM 298 C GLU A 21 4.444 -7.373 9.365 1.00 0.00 C ATOM 299 O GLU A 21 5.102 -6.575 10.002 1.00 0.00 O ATOM 300 CB GLU A 21 4.932 -9.772 8.849 1.00 0.00 C ATOM 301 CG GLU A 21 6.086 -10.506 9.536 1.00 0.00 C ATOM 302 CD GLU A 21 6.120 -11.960 9.063 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.993 -12.177 7.869 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.273 -12.832 9.902 1.00 0.00 O ATOM 0 H GLU A 21 2.399 -9.518 9.089 1.00 0.00 H new ATOM 0 HA GLU A 21 4.732 -8.932 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.202 -10.490 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.302 -9.217 7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.032 -10.015 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.962 -10.467 10.618 1.00 0.00 H new ATOM 311 N PHE A 22 3.860 -7.033 8.248 1.00 0.00 N ATOM 312 CA PHE A 22 3.993 -5.642 7.730 1.00 0.00 C ATOM 313 C PHE A 22 3.210 -4.683 8.631 1.00 0.00 C ATOM 314 O PHE A 22 3.318 -3.479 8.512 1.00 0.00 O ATOM 315 CB PHE A 22 3.434 -5.573 6.308 1.00 0.00 C ATOM 316 CG PHE A 22 4.347 -6.327 5.373 1.00 0.00 C ATOM 317 CD1 PHE A 22 5.655 -5.878 5.159 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.885 -7.475 4.719 1.00 0.00 C ATOM 319 CE1 PHE A 22 6.501 -6.577 4.291 1.00 0.00 C ATOM 320 CE2 PHE A 22 4.731 -8.175 3.852 1.00 0.00 C ATOM 321 CZ PHE A 22 6.041 -7.726 3.638 1.00 0.00 C ATOM 0 H PHE A 22 3.297 -7.659 7.672 1.00 0.00 H new ATOM 0 HA PHE A 22 5.045 -5.357 7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.432 -6.000 6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.347 -4.534 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.011 -4.992 5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.875 -7.821 4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.510 -6.229 4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.375 -9.061 3.348 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.695 -8.266 2.970 1.00 0.00 H new ATOM 331 N LYS A 23 2.423 -5.206 9.530 1.00 0.00 N ATOM 332 CA LYS A 23 1.635 -4.322 10.435 1.00 0.00 C ATOM 333 C LYS A 23 2.582 -3.372 11.170 1.00 0.00 C ATOM 334 O LYS A 23 2.212 -2.278 11.544 1.00 0.00 O ATOM 335 CB LYS A 23 0.880 -5.178 11.454 1.00 0.00 C ATOM 336 CG LYS A 23 -0.610 -5.188 11.109 1.00 0.00 C ATOM 337 CD LYS A 23 -1.384 -4.395 12.164 1.00 0.00 C ATOM 338 CE LYS A 23 -2.468 -5.284 12.776 1.00 0.00 C ATOM 339 NZ LYS A 23 -3.512 -5.569 11.753 1.00 0.00 N ATOM 0 H LYS A 23 2.291 -6.207 9.677 1.00 0.00 H new ATOM 0 HA LYS A 23 0.922 -3.743 9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.271 -6.195 11.451 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.029 -4.782 12.459 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.769 -4.752 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.978 -6.213 11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.705 -4.044 12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.835 -3.512 11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.030 -6.216 13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.914 -4.790 13.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.361 -5.949 12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.756 -4.691 11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.150 -6.267 11.072 1.00 0.00 H new ATOM 353 N ALA A 24 3.802 -3.783 11.381 1.00 0.00 N ATOM 354 CA ALA A 24 4.770 -2.904 12.094 1.00 0.00 C ATOM 355 C ALA A 24 5.108 -1.696 11.216 1.00 0.00 C ATOM 356 O ALA A 24 5.224 -0.585 11.693 1.00 0.00 O ATOM 357 CB ALA A 24 6.047 -3.692 12.393 1.00 0.00 C ATOM 0 H ALA A 24 4.170 -4.689 11.091 1.00 0.00 H new ATOM 0 HA ALA A 24 4.328 -2.559 13.029 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.757 -3.050 12.915 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.806 -4.551 13.019 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.489 -4.037 11.458 1.00 0.00 H new ATOM 363 N ALA A 25 5.266 -1.904 9.938 1.00 0.00 N ATOM 364 CA ALA A 25 5.596 -0.766 9.034 1.00 0.00 C ATOM 365 C ALA A 25 4.362 0.122 8.860 1.00 0.00 C ATOM 366 O ALA A 25 4.469 1.319 8.682 1.00 0.00 O ATOM 367 CB ALA A 25 6.032 -1.306 7.670 1.00 0.00 C ATOM 0 H ALA A 25 5.181 -2.812 9.481 1.00 0.00 H new ATOM 0 HA ALA A 25 6.407 -0.181 9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.273 -0.473 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.911 -1.938 7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.222 -1.892 7.235 1.00 0.00 H new ATOM 373 N PHE A 26 3.192 -0.453 8.912 1.00 0.00 N ATOM 374 CA PHE A 26 1.954 0.359 8.750 1.00 0.00 C ATOM 375 C PHE A 26 1.666 1.117 10.049 1.00 0.00 C ATOM 376 O PHE A 26 0.984 2.122 10.053 1.00 0.00 O ATOM 377 CB PHE A 26 0.776 -0.561 8.426 1.00 0.00 C ATOM 378 CG PHE A 26 0.042 -0.035 7.215 1.00 0.00 C ATOM 379 CD1 PHE A 26 -0.121 1.344 7.038 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.474 -0.928 6.268 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.800 1.831 5.915 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.154 -0.441 5.145 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.317 0.939 4.968 1.00 0.00 C ATOM 0 H PHE A 26 3.040 -1.451 9.060 1.00 0.00 H new ATOM 0 HA PHE A 26 2.093 1.071 7.936 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.133 -1.573 8.236 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.099 -0.616 9.279 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.277 2.033 7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.348 -1.992 6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.925 2.895 5.779 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.553 -1.130 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.841 1.315 4.102 1.00 0.00 H new ATOM 393 N ASP A 27 2.180 0.643 11.151 1.00 0.00 N ATOM 394 CA ASP A 27 1.931 1.337 12.446 1.00 0.00 C ATOM 395 C ASP A 27 2.824 2.577 12.539 1.00 0.00 C ATOM 396 O ASP A 27 2.534 3.508 13.262 1.00 0.00 O ATOM 397 CB ASP A 27 2.253 0.390 13.604 1.00 0.00 C ATOM 398 CG ASP A 27 2.056 1.123 14.932 1.00 0.00 C ATOM 399 OD1 ASP A 27 0.913 1.348 15.298 1.00 0.00 O ATOM 400 OD2 ASP A 27 3.049 1.449 15.560 1.00 0.00 O ATOM 0 H ASP A 27 2.761 -0.193 11.211 1.00 0.00 H new ATOM 0 HA ASP A 27 0.884 1.636 12.502 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.607 -0.487 13.561 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.280 0.034 13.522 1.00 0.00 H new ATOM 405 N MET A 28 3.908 2.595 11.813 1.00 0.00 N ATOM 406 CA MET A 28 4.816 3.775 11.863 1.00 0.00 C ATOM 407 C MET A 28 4.154 4.958 11.155 1.00 0.00 C ATOM 408 O MET A 28 4.463 6.104 11.417 1.00 0.00 O ATOM 409 CB MET A 28 6.135 3.435 11.165 1.00 0.00 C ATOM 410 CG MET A 28 7.303 3.952 12.006 1.00 0.00 C ATOM 411 SD MET A 28 8.603 4.577 10.913 1.00 0.00 S ATOM 412 CE MET A 28 9.967 3.615 11.611 1.00 0.00 C ATOM 0 H MET A 28 4.204 1.845 11.188 1.00 0.00 H new ATOM 0 HA MET A 28 5.013 4.038 12.902 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.220 2.357 11.029 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.160 3.885 10.172 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.962 4.744 12.673 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.695 3.152 12.634 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.888 3.848 11.076 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.087 3.865 12.665 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.750 2.551 11.513 1.00 0.00 H new ATOM 422 N PHE A 29 3.243 4.690 10.261 1.00 0.00 N ATOM 423 CA PHE A 29 2.559 5.798 9.539 1.00 0.00 C ATOM 424 C PHE A 29 1.366 6.279 10.365 1.00 0.00 C ATOM 425 O PHE A 29 1.357 7.379 10.881 1.00 0.00 O ATOM 426 CB PHE A 29 2.067 5.292 8.181 1.00 0.00 C ATOM 427 CG PHE A 29 3.092 4.353 7.594 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.455 4.570 7.832 1.00 0.00 C ATOM 429 CD2 PHE A 29 2.683 3.265 6.816 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.408 3.699 7.292 1.00 0.00 C ATOM 431 CE2 PHE A 29 3.636 2.392 6.275 1.00 0.00 C ATOM 432 CZ PHE A 29 4.999 2.610 6.513 1.00 0.00 C ATOM 0 H PHE A 29 2.943 3.751 9.999 1.00 0.00 H new ATOM 0 HA PHE A 29 3.256 6.623 9.389 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.112 4.779 8.296 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.899 6.132 7.507 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.771 5.410 8.433 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.632 3.098 6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.459 3.867 7.476 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.320 1.552 5.675 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.734 1.938 6.096 1.00 0.00 H new ATOM 442 N ASP A 30 0.360 5.460 10.495 1.00 0.00 N ATOM 443 CA ASP A 30 -0.834 5.864 11.287 1.00 0.00 C ATOM 444 C ASP A 30 -0.433 6.064 12.750 1.00 0.00 C ATOM 445 O ASP A 30 0.484 5.439 13.245 1.00 0.00 O ATOM 446 CB ASP A 30 -1.896 4.767 11.197 1.00 0.00 C ATOM 447 CG ASP A 30 -1.268 3.419 11.556 1.00 0.00 C ATOM 448 OD1 ASP A 30 -0.285 3.419 12.280 1.00 0.00 O ATOM 449 OD2 ASP A 30 -1.779 2.409 11.100 1.00 0.00 O ATOM 0 H ASP A 30 0.313 4.527 10.086 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.236 6.796 10.890 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.721 4.988 11.874 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.312 4.730 10.190 1.00 0.00 H new ATOM 454 N ALA A 31 -1.115 6.932 13.448 1.00 0.00 N ATOM 455 CA ALA A 31 -0.775 7.170 14.878 1.00 0.00 C ATOM 456 C ALA A 31 -2.060 7.213 15.706 1.00 0.00 C ATOM 457 O ALA A 31 -2.176 6.559 16.724 1.00 0.00 O ATOM 458 CB ALA A 31 -0.034 8.502 15.011 1.00 0.00 C ATOM 0 H ALA A 31 -1.893 7.486 13.089 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.137 6.364 15.240 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.215 8.677 16.058 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.882 8.470 14.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.670 9.310 14.650 1.00 0.00 H new ATOM 464 N ASP A 32 -3.027 7.977 15.279 1.00 0.00 N ATOM 465 CA ASP A 32 -4.305 8.059 16.040 1.00 0.00 C ATOM 466 C ASP A 32 -5.121 6.786 15.804 1.00 0.00 C ATOM 467 O ASP A 32 -6.059 6.497 16.521 1.00 0.00 O ATOM 468 CB ASP A 32 -5.104 9.274 15.565 1.00 0.00 C ATOM 469 CG ASP A 32 -6.348 9.440 16.438 1.00 0.00 C ATOM 470 OD1 ASP A 32 -6.189 9.680 17.623 1.00 0.00 O ATOM 471 OD2 ASP A 32 -7.441 9.322 15.906 1.00 0.00 O ATOM 0 H ASP A 32 -2.987 8.549 14.435 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.090 8.160 17.104 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.487 10.171 15.618 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.393 9.147 14.522 1.00 0.00 H new ATOM 476 N GLY A 33 -4.770 6.023 14.806 1.00 0.00 N ATOM 477 CA GLY A 33 -5.524 4.768 14.524 1.00 0.00 C ATOM 478 C GLY A 33 -6.304 4.921 13.217 1.00 0.00 C ATOM 479 O GLY A 33 -7.488 5.198 13.218 1.00 0.00 O ATOM 0 H GLY A 33 -3.993 6.214 14.173 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.835 3.926 14.452 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.208 4.551 15.344 1.00 0.00 H new ATOM 483 N GLY A 34 -5.652 4.743 12.099 1.00 0.00 N ATOM 484 CA GLY A 34 -6.360 4.880 10.794 1.00 0.00 C ATOM 485 C GLY A 34 -6.053 3.669 9.910 1.00 0.00 C ATOM 486 O GLY A 34 -6.936 3.083 9.317 1.00 0.00 O ATOM 0 H GLY A 34 -4.661 4.509 12.033 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.435 4.959 10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.046 5.796 10.294 1.00 0.00 H new ATOM 490 N GLY A 35 -4.809 3.286 9.820 1.00 0.00 N ATOM 491 CA GLY A 35 -4.451 2.112 8.974 1.00 0.00 C ATOM 492 C GLY A 35 -4.389 2.532 7.504 1.00 0.00 C ATOM 493 O GLY A 35 -4.969 1.901 6.644 1.00 0.00 O ATOM 0 H GLY A 35 -4.026 3.734 10.295 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.489 1.707 9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.188 1.320 9.105 1.00 0.00 H new ATOM 497 N ASP A 36 -3.687 3.593 7.208 1.00 0.00 N ATOM 498 CA ASP A 36 -3.588 4.047 5.792 1.00 0.00 C ATOM 499 C ASP A 36 -2.395 4.992 5.640 1.00 0.00 C ATOM 500 O ASP A 36 -1.588 5.135 6.538 1.00 0.00 O ATOM 501 CB ASP A 36 -4.874 4.778 5.396 1.00 0.00 C ATOM 502 CG ASP A 36 -5.360 5.631 6.569 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.812 6.703 6.764 1.00 0.00 O ATOM 504 OD2 ASP A 36 -6.275 5.198 7.252 1.00 0.00 O ATOM 0 H ASP A 36 -3.179 4.163 7.884 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.450 3.182 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.693 5.408 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.642 4.058 5.114 1.00 0.00 H new ATOM 509 N ILE A 37 -2.274 5.635 4.512 1.00 0.00 N ATOM 510 CA ILE A 37 -1.130 6.567 4.306 1.00 0.00 C ATOM 511 C ILE A 37 -1.404 7.450 3.088 1.00 0.00 C ATOM 512 O ILE A 37 -1.932 7.002 2.089 1.00 0.00 O ATOM 513 CB ILE A 37 0.151 5.764 4.072 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.187 4.456 3.351 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.809 5.448 5.415 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.780 4.250 2.184 1.00 0.00 C ATOM 0 H ILE A 37 -2.917 5.556 3.724 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.010 7.192 5.191 1.00 0.00 H new ATOM 0 HB ILE A 37 0.837 6.350 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.119 3.618 4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.213 4.485 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.722 4.876 5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.053 6.378 5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.122 4.864 6.028 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.539 3.319 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.690 5.082 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.801 4.202 2.562 1.00 0.00 H new ATOM 528 N SER A 38 -1.047 8.704 3.159 1.00 0.00 N ATOM 529 CA SER A 38 -1.284 9.613 2.004 1.00 0.00 C ATOM 530 C SER A 38 -0.057 9.602 1.091 1.00 0.00 C ATOM 531 O SER A 38 0.880 8.859 1.305 1.00 0.00 O ATOM 532 CB SER A 38 -1.529 11.034 2.512 1.00 0.00 C ATOM 533 OG SER A 38 -1.793 10.995 3.908 1.00 0.00 O ATOM 0 H SER A 38 -0.601 9.137 3.968 1.00 0.00 H new ATOM 0 HA SER A 38 -2.157 9.273 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.659 11.659 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.371 11.481 1.983 1.00 0.00 H new ATOM 0 HG SER A 38 -1.949 11.905 4.237 1.00 0.00 H new ATOM 539 N THR A 39 -0.052 10.420 0.074 1.00 0.00 N ATOM 540 CA THR A 39 1.117 10.452 -0.848 1.00 0.00 C ATOM 541 C THR A 39 2.324 11.057 -0.124 1.00 0.00 C ATOM 542 O THR A 39 3.422 11.080 -0.641 1.00 0.00 O ATOM 543 CB THR A 39 0.782 11.305 -2.076 1.00 0.00 C ATOM 544 OG1 THR A 39 1.089 12.665 -1.802 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.704 11.172 -2.406 1.00 0.00 C ATOM 0 H THR A 39 -0.806 11.067 -0.158 1.00 0.00 H new ATOM 0 HA THR A 39 1.353 9.436 -1.165 1.00 0.00 H new ATOM 0 HB THR A 39 1.370 10.962 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.877 13.213 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.939 11.780 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.938 10.128 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.297 11.513 -1.557 1.00 0.00 H new ATOM 553 N LYS A 40 2.127 11.551 1.069 1.00 0.00 N ATOM 554 CA LYS A 40 3.261 12.158 1.821 1.00 0.00 C ATOM 555 C LYS A 40 3.953 11.091 2.674 1.00 0.00 C ATOM 556 O LYS A 40 5.165 11.000 2.705 1.00 0.00 O ATOM 557 CB LYS A 40 2.731 13.269 2.729 1.00 0.00 C ATOM 558 CG LYS A 40 3.805 14.344 2.904 1.00 0.00 C ATOM 559 CD LYS A 40 5.026 13.740 3.600 1.00 0.00 C ATOM 560 CE LYS A 40 5.561 14.724 4.640 1.00 0.00 C ATOM 561 NZ LYS A 40 6.670 15.524 4.044 1.00 0.00 N ATOM 0 H LYS A 40 1.230 11.560 1.554 1.00 0.00 H new ATOM 0 HA LYS A 40 3.979 12.572 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.831 13.707 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.452 12.858 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.090 14.749 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.412 15.173 3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.756 12.799 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.800 13.513 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.762 15.385 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.918 14.184 5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.034 16.194 4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.435 14.887 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.315 16.050 3.220 1.00 0.00 H new ATOM 575 N GLU A 41 3.198 10.289 3.376 1.00 0.00 N ATOM 576 CA GLU A 41 3.821 9.241 4.234 1.00 0.00 C ATOM 577 C GLU A 41 4.028 7.956 3.428 1.00 0.00 C ATOM 578 O GLU A 41 4.696 7.041 3.867 1.00 0.00 O ATOM 579 CB GLU A 41 2.905 8.947 5.424 1.00 0.00 C ATOM 580 CG GLU A 41 2.721 10.219 6.256 1.00 0.00 C ATOM 581 CD GLU A 41 3.702 10.206 7.429 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.414 9.225 7.569 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.722 11.175 8.168 1.00 0.00 O ATOM 0 H GLU A 41 2.178 10.314 3.392 1.00 0.00 H new ATOM 0 HA GLU A 41 4.787 9.601 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.938 8.588 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.334 8.156 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.890 11.100 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.697 10.280 6.625 1.00 0.00 H new ATOM 590 N LEU A 42 3.459 7.873 2.257 1.00 0.00 N ATOM 591 CA LEU A 42 3.627 6.639 1.438 1.00 0.00 C ATOM 592 C LEU A 42 4.974 6.681 0.710 1.00 0.00 C ATOM 593 O LEU A 42 5.461 5.676 0.234 1.00 0.00 O ATOM 594 CB LEU A 42 2.489 6.547 0.412 1.00 0.00 C ATOM 595 CG LEU A 42 2.866 5.563 -0.700 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.598 4.941 -1.288 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.623 6.307 -1.803 1.00 0.00 C ATOM 0 H LEU A 42 2.887 8.603 1.833 1.00 0.00 H new ATOM 0 HA LEU A 42 3.599 5.766 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.572 6.221 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.291 7.531 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 42 3.498 4.777 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.869 4.241 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.056 4.411 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.965 5.727 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.892 5.608 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.989 7.093 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.528 6.750 -1.388 1.00 0.00 H new ATOM 609 N GLY A 43 5.577 7.833 0.610 1.00 0.00 N ATOM 610 CA GLY A 43 6.882 7.923 -0.101 1.00 0.00 C ATOM 611 C GLY A 43 8.012 8.185 0.894 1.00 0.00 C ATOM 612 O GLY A 43 9.126 7.743 0.708 1.00 0.00 O ATOM 0 H GLY A 43 5.224 8.712 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.073 6.997 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.847 8.723 -0.840 1.00 0.00 H new ATOM 616 N THR A 44 7.744 8.910 1.944 1.00 0.00 N ATOM 617 CA THR A 44 8.819 9.202 2.932 1.00 0.00 C ATOM 618 C THR A 44 9.115 7.955 3.769 1.00 0.00 C ATOM 619 O THR A 44 10.037 7.936 4.561 1.00 0.00 O ATOM 620 CB THR A 44 8.376 10.344 3.848 1.00 0.00 C ATOM 621 OG1 THR A 44 7.038 10.117 4.271 1.00 0.00 O ATOM 622 CG2 THR A 44 8.457 11.668 3.086 1.00 0.00 C ATOM 0 H THR A 44 6.831 9.311 2.160 1.00 0.00 H new ATOM 0 HA THR A 44 9.724 9.494 2.399 1.00 0.00 H new ATOM 0 HB THR A 44 9.029 10.389 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.421 10.585 3.670 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.142 12.483 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.484 11.839 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.804 11.627 2.214 1.00 0.00 H new ATOM 630 N VAL A 45 8.352 6.910 3.601 1.00 0.00 N ATOM 631 CA VAL A 45 8.617 5.675 4.393 1.00 0.00 C ATOM 632 C VAL A 45 9.930 5.046 3.906 1.00 0.00 C ATOM 633 O VAL A 45 10.925 5.053 4.605 1.00 0.00 O ATOM 634 CB VAL A 45 7.447 4.684 4.241 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.932 4.668 2.796 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.911 3.276 4.631 1.00 0.00 C ATOM 0 H VAL A 45 7.564 6.857 2.956 1.00 0.00 H new ATOM 0 HA VAL A 45 8.708 5.926 5.450 1.00 0.00 H new ATOM 0 HB VAL A 45 6.637 5.003 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.106 3.961 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.586 5.665 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.737 4.366 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.082 2.577 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.731 2.970 3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.251 3.279 5.667 1.00 0.00 H new ATOM 646 N MET A 46 9.951 4.519 2.712 1.00 0.00 N ATOM 647 CA MET A 46 11.203 3.913 2.185 1.00 0.00 C ATOM 648 C MET A 46 11.996 4.983 1.440 1.00 0.00 C ATOM 649 O MET A 46 13.203 4.908 1.323 1.00 0.00 O ATOM 650 CB MET A 46 10.853 2.768 1.234 1.00 0.00 C ATOM 651 CG MET A 46 10.077 3.314 0.034 1.00 0.00 C ATOM 652 SD MET A 46 8.305 3.051 0.293 1.00 0.00 S ATOM 653 CE MET A 46 8.196 1.433 -0.513 1.00 0.00 C ATOM 0 H MET A 46 9.152 4.483 2.079 1.00 0.00 H new ATOM 0 HA MET A 46 11.802 3.522 3.007 1.00 0.00 H new ATOM 0 HB2 MET A 46 11.763 2.272 0.896 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.257 2.019 1.755 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.283 4.377 -0.093 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.400 2.815 -0.880 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.168 1.073 -0.469 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.505 1.524 -1.554 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.850 0.727 -0.001 1.00 0.00 H new ATOM 663 N ARG A 47 11.328 5.990 0.947 1.00 0.00 N ATOM 664 CA ARG A 47 12.048 7.071 0.225 1.00 0.00 C ATOM 665 C ARG A 47 12.445 8.159 1.224 1.00 0.00 C ATOM 666 O ARG A 47 12.548 9.320 0.888 1.00 0.00 O ATOM 667 CB ARG A 47 11.144 7.666 -0.858 1.00 0.00 C ATOM 668 CG ARG A 47 11.897 7.691 -2.190 1.00 0.00 C ATOM 669 CD ARG A 47 12.358 6.276 -2.545 1.00 0.00 C ATOM 670 NE ARG A 47 12.210 6.059 -4.011 1.00 0.00 N ATOM 671 CZ ARG A 47 11.676 4.954 -4.458 1.00 0.00 C ATOM 672 NH1 ARG A 47 10.385 4.872 -4.621 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.436 3.931 -4.741 1.00 0.00 N ATOM 0 H ARG A 47 10.317 6.109 1.014 1.00 0.00 H new ATOM 0 HA ARG A 47 12.941 6.663 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.234 7.074 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.840 8.675 -0.580 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.252 8.082 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.756 8.358 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.398 6.136 -2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.768 5.541 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 47 12.526 6.774 -4.666 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.791 5.671 -4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.969 4.009 -4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.446 3.995 -4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.020 3.068 -5.090 1.00 0.00 H new ATOM 687 N MET A 48 12.677 7.787 2.455 1.00 0.00 N ATOM 688 CA MET A 48 13.074 8.792 3.481 1.00 0.00 C ATOM 689 C MET A 48 14.249 9.617 2.954 1.00 0.00 C ATOM 690 O MET A 48 14.520 10.702 3.431 1.00 0.00 O ATOM 691 CB MET A 48 13.495 8.070 4.762 1.00 0.00 C ATOM 692 CG MET A 48 12.729 8.648 5.952 1.00 0.00 C ATOM 693 SD MET A 48 13.061 10.423 6.078 1.00 0.00 S ATOM 694 CE MET A 48 11.397 10.994 5.656 1.00 0.00 C ATOM 0 H MET A 48 12.608 6.827 2.794 1.00 0.00 H new ATOM 0 HA MET A 48 12.231 9.450 3.693 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.295 7.002 4.672 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.568 8.181 4.918 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.660 8.475 5.829 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.030 8.145 6.871 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.200 11.942 6.157 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.322 11.131 4.577 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.665 10.254 5.980 1.00 0.00 H new ATOM 704 N LEU A 49 14.949 9.110 1.976 1.00 0.00 N ATOM 705 CA LEU A 49 16.108 9.859 1.417 1.00 0.00 C ATOM 706 C LEU A 49 15.736 11.338 1.270 1.00 0.00 C ATOM 707 O LEU A 49 16.388 12.207 1.812 1.00 0.00 O ATOM 708 CB LEU A 49 16.486 9.284 0.043 1.00 0.00 C ATOM 709 CG LEU A 49 16.533 7.739 0.065 1.00 0.00 C ATOM 710 CD1 LEU A 49 16.847 7.206 1.471 1.00 0.00 C ATOM 711 CD2 LEU A 49 15.185 7.181 -0.396 1.00 0.00 C ATOM 0 H LEU A 49 14.767 8.206 1.539 1.00 0.00 H new ATOM 0 HA LEU A 49 16.959 9.762 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.763 9.616 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.458 9.674 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 49 17.327 7.416 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.872 6.116 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.816 7.585 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.076 7.538 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.218 6.092 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 49 14.399 7.530 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.977 7.523 -1.410 1.00 0.00 H new ATOM 723 N GLY A 50 14.688 11.632 0.548 1.00 0.00 N ATOM 724 CA GLY A 50 14.277 13.058 0.380 1.00 0.00 C ATOM 725 C GLY A 50 14.648 13.549 -1.022 1.00 0.00 C ATOM 726 O GLY A 50 14.949 14.710 -1.222 1.00 0.00 O ATOM 0 H GLY A 50 14.100 10.950 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.203 13.156 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.766 13.677 1.132 1.00 0.00 H new ATOM 730 N GLN A 51 14.629 12.680 -1.993 1.00 0.00 N ATOM 731 CA GLN A 51 14.978 13.100 -3.381 1.00 0.00 C ATOM 732 C GLN A 51 13.970 12.498 -4.365 1.00 0.00 C ATOM 733 O GLN A 51 13.458 13.171 -5.237 1.00 0.00 O ATOM 734 CB GLN A 51 16.380 12.591 -3.721 1.00 0.00 C ATOM 735 CG GLN A 51 16.405 11.067 -3.587 1.00 0.00 C ATOM 736 CD GLN A 51 17.840 10.560 -3.743 1.00 0.00 C ATOM 737 OE1 GLN A 51 18.765 11.341 -3.838 1.00 0.00 O ATOM 738 NE2 GLN A 51 18.064 9.275 -3.776 1.00 0.00 N ATOM 0 H GLN A 51 14.387 11.695 -1.887 1.00 0.00 H new ATOM 0 HA GLN A 51 14.952 14.187 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 51 16.651 12.884 -4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 51 17.115 13.039 -3.053 1.00 0.00 H new ATOM 0 HG2 GLN A 51 16.008 10.771 -2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.765 10.615 -4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 51 17.287 8.620 -3.696 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.017 8.926 -3.882 1.00 0.00 H new ATOM 747 N ASN A 52 13.685 11.233 -4.224 1.00 0.00 N ATOM 748 CA ASN A 52 12.714 10.566 -5.136 1.00 0.00 C ATOM 749 C ASN A 52 11.256 10.879 -4.756 1.00 0.00 C ATOM 750 O ASN A 52 10.406 10.901 -5.624 1.00 0.00 O ATOM 751 CB ASN A 52 12.935 9.053 -5.084 1.00 0.00 C ATOM 752 CG ASN A 52 13.464 8.569 -6.436 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.180 9.158 -7.459 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.227 7.511 -6.482 1.00 0.00 N ATOM 0 H ASN A 52 14.087 10.627 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 52 12.885 10.947 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.644 8.805 -4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.000 8.546 -4.844 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.585 7.179 -7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.465 7.016 -5.622 1.00 0.00 H new ATOM 761 N PRO A 53 10.981 11.096 -3.489 1.00 0.00 N ATOM 762 CA PRO A 53 9.614 11.381 -3.041 1.00 0.00 C ATOM 763 C PRO A 53 9.235 12.832 -3.341 1.00 0.00 C ATOM 764 O PRO A 53 10.057 13.726 -3.309 1.00 0.00 O ATOM 765 CB PRO A 53 9.668 11.116 -1.540 1.00 0.00 C ATOM 766 CG PRO A 53 11.144 11.244 -1.118 1.00 0.00 C ATOM 767 CD PRO A 53 11.976 11.084 -2.398 1.00 0.00 C ATOM 0 HA PRO A 53 8.862 10.774 -3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.048 11.831 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.285 10.122 -1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.332 12.211 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.406 10.480 -0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.695 11.895 -2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.544 10.154 -2.389 1.00 0.00 H new ATOM 775 N THR A 54 7.990 13.063 -3.642 1.00 0.00 N ATOM 776 CA THR A 54 7.525 14.438 -3.959 1.00 0.00 C ATOM 777 C THR A 54 6.005 14.490 -3.794 1.00 0.00 C ATOM 778 O THR A 54 5.339 13.474 -3.814 1.00 0.00 O ATOM 779 CB THR A 54 7.894 14.772 -5.406 1.00 0.00 C ATOM 780 OG1 THR A 54 9.180 14.241 -5.699 1.00 0.00 O ATOM 781 CG2 THR A 54 7.912 16.288 -5.600 1.00 0.00 C ATOM 0 H THR A 54 7.265 12.347 -3.682 1.00 0.00 H new ATOM 0 HA THR A 54 7.996 15.159 -3.290 1.00 0.00 H new ATOM 0 HB THR A 54 7.155 14.334 -6.077 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.757 14.327 -4.911 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.175 16.520 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.926 16.695 -5.377 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.648 16.732 -4.929 1.00 0.00 H new ATOM 789 N LYS A 55 5.449 15.656 -3.635 1.00 0.00 N ATOM 790 CA LYS A 55 3.974 15.750 -3.475 1.00 0.00 C ATOM 791 C LYS A 55 3.294 15.106 -4.685 1.00 0.00 C ATOM 792 O LYS A 55 2.294 14.426 -4.560 1.00 0.00 O ATOM 793 CB LYS A 55 3.568 17.222 -3.382 1.00 0.00 C ATOM 794 CG LYS A 55 2.116 17.326 -2.914 1.00 0.00 C ATOM 795 CD LYS A 55 1.339 18.223 -3.877 1.00 0.00 C ATOM 796 CE LYS A 55 -0.158 17.926 -3.758 1.00 0.00 C ATOM 797 NZ LYS A 55 -0.499 17.658 -2.333 1.00 0.00 N ATOM 0 H LYS A 55 5.949 16.544 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 55 3.668 15.231 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.223 17.747 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.683 17.703 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.662 16.336 -2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.075 17.735 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.532 19.271 -3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.674 18.052 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.738 18.771 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.419 17.065 -4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.515 17.824 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.271 16.670 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.050 18.293 -1.719 1.00 0.00 H new ATOM 811 N GLU A 56 3.827 15.319 -5.856 1.00 0.00 N ATOM 812 CA GLU A 56 3.212 14.723 -7.077 1.00 0.00 C ATOM 813 C GLU A 56 3.831 13.351 -7.361 1.00 0.00 C ATOM 814 O GLU A 56 3.297 12.566 -8.119 1.00 0.00 O ATOM 815 CB GLU A 56 3.461 15.646 -8.270 1.00 0.00 C ATOM 816 CG GLU A 56 4.966 15.750 -8.531 1.00 0.00 C ATOM 817 CD GLU A 56 5.215 16.632 -9.756 1.00 0.00 C ATOM 818 OE1 GLU A 56 4.255 17.180 -10.273 1.00 0.00 O ATOM 819 OE2 GLU A 56 6.362 16.745 -10.157 1.00 0.00 O ATOM 0 H GLU A 56 4.662 15.880 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 56 2.140 14.605 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.954 15.260 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.047 16.634 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.468 16.170 -7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.387 14.758 -8.693 1.00 0.00 H new ATOM 826 N GLU A 57 4.959 13.058 -6.772 1.00 0.00 N ATOM 827 CA GLU A 57 5.611 11.741 -7.029 1.00 0.00 C ATOM 828 C GLU A 57 4.776 10.610 -6.419 1.00 0.00 C ATOM 829 O GLU A 57 4.547 9.592 -7.044 1.00 0.00 O ATOM 830 CB GLU A 57 7.007 11.731 -6.404 1.00 0.00 C ATOM 831 CG GLU A 57 7.764 10.485 -6.868 1.00 0.00 C ATOM 832 CD GLU A 57 8.861 10.889 -7.853 1.00 0.00 C ATOM 833 OE1 GLU A 57 9.425 11.956 -7.676 1.00 0.00 O ATOM 834 OE2 GLU A 57 9.118 10.126 -8.770 1.00 0.00 O ATOM 0 H GLU A 57 5.456 13.671 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 57 5.687 11.589 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.553 12.630 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.931 11.739 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.201 9.973 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.076 9.784 -7.341 1.00 0.00 H new ATOM 841 N LEU A 58 4.324 10.770 -5.205 1.00 0.00 N ATOM 842 CA LEU A 58 3.512 9.694 -4.565 1.00 0.00 C ATOM 843 C LEU A 58 2.069 9.770 -5.068 1.00 0.00 C ATOM 844 O LEU A 58 1.257 8.913 -4.780 1.00 0.00 O ATOM 845 CB LEU A 58 3.531 9.873 -3.043 1.00 0.00 C ATOM 846 CG LEU A 58 4.948 9.648 -2.500 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.603 8.458 -3.206 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.785 10.904 -2.741 1.00 0.00 C ATOM 0 H LEU A 58 4.481 11.597 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 58 3.935 8.723 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.189 10.875 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.840 9.170 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 58 4.891 9.438 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.608 8.309 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.009 7.561 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.659 8.656 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.793 10.749 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.832 11.110 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.327 11.750 -2.228 1.00 0.00 H new ATOM 860 N ASP A 59 1.741 10.788 -5.815 1.00 0.00 N ATOM 861 CA ASP A 59 0.349 10.913 -6.333 1.00 0.00 C ATOM 862 C ASP A 59 0.163 9.983 -7.535 1.00 0.00 C ATOM 863 O ASP A 59 -0.934 9.568 -7.846 1.00 0.00 O ATOM 864 CB ASP A 59 0.091 12.360 -6.761 1.00 0.00 C ATOM 865 CG ASP A 59 -1.391 12.534 -7.097 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.886 11.778 -7.916 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.008 13.419 -6.527 1.00 0.00 O ATOM 0 H ASP A 59 2.376 11.538 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.355 10.635 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.377 13.044 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.703 12.609 -7.628 1.00 0.00 H new ATOM 872 N ALA A 60 1.229 9.654 -8.215 1.00 0.00 N ATOM 873 CA ALA A 60 1.110 8.751 -9.395 1.00 0.00 C ATOM 874 C ALA A 60 0.771 7.337 -8.922 1.00 0.00 C ATOM 875 O ALA A 60 -0.178 6.730 -9.378 1.00 0.00 O ATOM 876 CB ALA A 60 2.436 8.731 -10.158 1.00 0.00 C ATOM 0 H ALA A 60 2.175 9.971 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 60 0.319 9.113 -10.052 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.349 8.071 -11.021 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.677 9.739 -10.495 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.228 8.369 -9.502 1.00 0.00 H new ATOM 882 N ILE A 61 1.534 6.810 -8.005 1.00 0.00 N ATOM 883 CA ILE A 61 1.246 5.436 -7.500 1.00 0.00 C ATOM 884 C ILE A 61 -0.078 5.459 -6.739 1.00 0.00 C ATOM 885 O ILE A 61 -0.783 4.473 -6.667 1.00 0.00 O ATOM 886 CB ILE A 61 2.362 4.975 -6.557 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.685 5.620 -6.963 1.00 0.00 C ATOM 888 CG2 ILE A 61 2.502 3.457 -6.633 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.005 6.747 -5.988 1.00 0.00 C ATOM 0 H ILE A 61 2.342 7.268 -7.584 1.00 0.00 H new ATOM 0 HA ILE A 61 1.187 4.746 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 61 2.111 5.272 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.484 4.878 -6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.619 6.008 -7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.296 3.131 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.563 2.990 -6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.747 3.165 -7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.949 7.214 -6.269 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.209 7.491 -6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.087 6.343 -4.979 1.00 0.00 H new ATOM 901 N ILE A 62 -0.419 6.582 -6.170 1.00 0.00 N ATOM 902 CA ILE A 62 -1.696 6.676 -5.413 1.00 0.00 C ATOM 903 C ILE A 62 -2.864 6.717 -6.405 1.00 0.00 C ATOM 904 O ILE A 62 -3.989 6.410 -6.069 1.00 0.00 O ATOM 905 CB ILE A 62 -1.681 7.946 -4.547 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.008 7.635 -3.209 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.110 8.437 -4.284 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.931 6.747 -2.372 1.00 0.00 C ATOM 0 H ILE A 62 0.133 7.439 -6.197 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.813 5.809 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.131 8.724 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.055 7.133 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.791 8.560 -2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.078 9.337 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.598 8.662 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.671 7.661 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.454 6.524 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.873 7.266 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.125 5.817 -2.907 1.00 0.00 H new ATOM 920 N GLU A 63 -2.606 7.097 -7.627 1.00 0.00 N ATOM 921 CA GLU A 63 -3.700 7.158 -8.635 1.00 0.00 C ATOM 922 C GLU A 63 -4.062 5.741 -9.081 1.00 0.00 C ATOM 923 O GLU A 63 -5.162 5.481 -9.525 1.00 0.00 O ATOM 924 CB GLU A 63 -3.232 7.968 -9.845 1.00 0.00 C ATOM 925 CG GLU A 63 -4.363 8.049 -10.872 1.00 0.00 C ATOM 926 CD GLU A 63 -3.772 8.264 -12.267 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.233 9.332 -12.501 1.00 0.00 O ATOM 928 OE2 GLU A 63 -3.870 7.357 -13.075 1.00 0.00 O ATOM 0 H GLU A 63 -1.684 7.368 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.575 7.635 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.937 8.970 -9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.354 7.501 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.952 7.132 -10.853 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.038 8.867 -10.621 1.00 0.00 H new ATOM 935 N GLU A 64 -3.141 4.822 -8.970 1.00 0.00 N ATOM 936 CA GLU A 64 -3.429 3.422 -9.392 1.00 0.00 C ATOM 937 C GLU A 64 -4.065 2.650 -8.232 1.00 0.00 C ATOM 938 O GLU A 64 -4.060 1.435 -8.209 1.00 0.00 O ATOM 939 CB GLU A 64 -2.125 2.736 -9.805 1.00 0.00 C ATOM 940 CG GLU A 64 -1.073 2.935 -8.711 1.00 0.00 C ATOM 941 CD GLU A 64 0.093 1.972 -8.942 1.00 0.00 C ATOM 942 OE1 GLU A 64 0.541 1.876 -10.073 1.00 0.00 O ATOM 943 OE2 GLU A 64 0.519 1.347 -7.985 1.00 0.00 O ATOM 0 H GLU A 64 -2.202 4.981 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.119 3.436 -10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.298 1.672 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.767 3.150 -10.748 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.715 3.965 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.515 2.759 -7.730 1.00 0.00 H new ATOM 950 N VAL A 65 -4.612 3.342 -7.269 1.00 0.00 N ATOM 951 CA VAL A 65 -5.244 2.637 -6.117 1.00 0.00 C ATOM 952 C VAL A 65 -6.353 3.511 -5.519 1.00 0.00 C ATOM 953 O VAL A 65 -7.509 3.138 -5.504 1.00 0.00 O ATOM 954 CB VAL A 65 -4.189 2.339 -5.044 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.383 1.106 -5.451 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.241 3.535 -4.888 1.00 0.00 C ATOM 0 H VAL A 65 -4.649 4.361 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.674 1.699 -6.468 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.692 2.155 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.633 0.894 -4.689 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.052 0.251 -5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.889 1.293 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.497 3.312 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.740 3.729 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.812 4.415 -4.593 1.00 0.00 H new ATOM 966 N ASP A 66 -6.011 4.668 -5.020 1.00 0.00 N ATOM 967 CA ASP A 66 -7.047 5.557 -4.421 1.00 0.00 C ATOM 968 C ASP A 66 -7.865 6.216 -5.533 1.00 0.00 C ATOM 969 O ASP A 66 -7.592 7.326 -5.945 1.00 0.00 O ATOM 970 CB ASP A 66 -6.365 6.637 -3.578 1.00 0.00 C ATOM 971 CG ASP A 66 -7.427 7.507 -2.904 1.00 0.00 C ATOM 972 OD1 ASP A 66 -8.169 8.160 -3.619 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.482 7.506 -1.685 1.00 0.00 O ATOM 0 H ASP A 66 -5.060 5.036 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.710 4.966 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.726 6.176 -2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.722 7.252 -4.207 1.00 0.00 H new ATOM 978 N GLU A 67 -8.873 5.542 -6.018 1.00 0.00 N ATOM 979 CA GLU A 67 -9.714 6.127 -7.098 1.00 0.00 C ATOM 980 C GLU A 67 -10.729 7.090 -6.480 1.00 0.00 C ATOM 981 O GLU A 67 -11.169 8.032 -7.107 1.00 0.00 O ATOM 982 CB GLU A 67 -10.451 5.003 -7.832 1.00 0.00 C ATOM 983 CG GLU A 67 -11.426 5.606 -8.846 1.00 0.00 C ATOM 984 CD GLU A 67 -10.883 5.405 -10.261 1.00 0.00 C ATOM 985 OE1 GLU A 67 -10.201 4.415 -10.479 1.00 0.00 O ATOM 986 OE2 GLU A 67 -11.156 6.243 -11.104 1.00 0.00 O ATOM 0 H GLU A 67 -9.150 4.609 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.084 6.667 -7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.736 4.356 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.991 4.381 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.404 5.134 -8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.564 6.669 -8.646 1.00 0.00 H new ATOM 993 N ASP A 68 -11.104 6.859 -5.250 1.00 0.00 N ATOM 994 CA ASP A 68 -12.088 7.760 -4.589 1.00 0.00 C ATOM 995 C ASP A 68 -11.731 9.217 -4.891 1.00 0.00 C ATOM 996 O ASP A 68 -12.594 10.050 -5.087 1.00 0.00 O ATOM 997 CB ASP A 68 -12.058 7.527 -3.076 1.00 0.00 C ATOM 998 CG ASP A 68 -13.236 8.252 -2.423 1.00 0.00 C ATOM 999 OD1 ASP A 68 -14.182 8.560 -3.130 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -13.174 8.487 -1.228 1.00 0.00 O ATOM 0 H ASP A 68 -10.770 6.085 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.087 7.547 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.110 6.460 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.118 7.890 -2.660 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.464 9.532 -4.935 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.056 10.936 -5.228 1.00 0.00 C ATOM 1007 C GLY A 69 -9.563 11.610 -3.946 1.00 0.00 C ATOM 1008 O GLY A 69 -9.517 12.820 -3.848 1.00 0.00 O ATOM 0 H GLY A 69 -9.696 8.879 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.268 10.946 -5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.899 11.491 -5.641 1.00 0.00 H new ATOM 1012 N SER A 70 -9.195 10.838 -2.960 1.00 0.00 N ATOM 1013 CA SER A 70 -8.707 11.438 -1.686 1.00 0.00 C ATOM 1014 C SER A 70 -7.196 11.661 -1.771 1.00 0.00 C ATOM 1015 O SER A 70 -6.711 12.766 -1.617 1.00 0.00 O ATOM 1016 CB SER A 70 -9.012 10.487 -0.528 1.00 0.00 C ATOM 1017 OG SER A 70 -8.769 11.156 0.702 1.00 0.00 O ATOM 0 H SER A 70 -9.211 9.818 -2.982 1.00 0.00 H new ATOM 0 HA SER A 70 -9.207 12.392 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.049 10.156 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.389 9.595 -0.600 1.00 0.00 H new ATOM 0 HG SER A 70 -8.965 10.551 1.448 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.448 10.621 -2.013 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.967 10.768 -2.103 1.00 0.00 C ATOM 1025 C GLY A 71 -4.299 9.862 -1.066 1.00 0.00 C ATOM 1026 O GLY A 71 -3.174 10.085 -0.666 1.00 0.00 O ATOM 0 H GLY A 71 -6.798 9.673 -2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.625 10.506 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.683 11.806 -1.931 1.00 0.00 H new ATOM 1030 N THR A 72 -4.986 8.842 -0.626 1.00 0.00 N ATOM 1031 CA THR A 72 -4.393 7.921 0.388 1.00 0.00 C ATOM 1032 C THR A 72 -4.883 6.496 0.124 1.00 0.00 C ATOM 1033 O THR A 72 -5.746 6.270 -0.701 1.00 0.00 O ATOM 1034 CB THR A 72 -4.817 8.355 1.798 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.047 7.202 2.596 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.097 9.192 1.728 1.00 0.00 C ATOM 0 H THR A 72 -5.932 8.606 -0.925 1.00 0.00 H new ATOM 0 HA THR A 72 -3.306 7.956 0.315 1.00 0.00 H new ATOM 0 HB THR A 72 -4.023 8.957 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.316 7.476 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.389 9.495 2.734 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.919 10.079 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.895 8.599 1.281 1.00 0.00 H new ATOM 1044 N ILE A 73 -4.338 5.531 0.813 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.774 4.122 0.595 1.00 0.00 C ATOM 1046 C ILE A 73 -4.904 3.406 1.940 1.00 0.00 C ATOM 1047 O ILE A 73 -4.249 3.750 2.904 1.00 0.00 O ATOM 1048 CB ILE A 73 -3.739 3.393 -0.267 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.347 3.977 -0.006 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -4.092 3.564 -1.746 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.283 3.049 -0.596 1.00 0.00 C ATOM 0 H ILE A 73 -3.610 5.657 1.517 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.739 4.121 0.089 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.741 2.333 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.268 4.968 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.186 4.096 1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.355 3.045 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.080 3.145 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.093 4.624 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.293 3.466 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.357 2.067 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.440 2.952 -1.670 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.742 2.407 2.010 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.912 1.662 3.290 1.00 0.00 C ATOM 1065 C ASP A 74 -5.389 0.233 3.115 1.00 0.00 C ATOM 1066 O ASP A 74 -4.952 -0.150 2.049 1.00 0.00 O ATOM 1067 CB ASP A 74 -7.395 1.625 3.666 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.852 3.025 4.078 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.714 3.353 5.245 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.333 3.746 3.218 1.00 0.00 O ATOM 0 H ASP A 74 -6.316 2.075 1.235 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.353 2.160 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.986 1.272 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.556 0.923 4.484 1.00 0.00 H new ATOM 1075 N PHE A 75 -5.428 -0.558 4.152 1.00 0.00 N ATOM 1076 CA PHE A 75 -4.931 -1.959 4.040 1.00 0.00 C ATOM 1077 C PHE A 75 -5.505 -2.610 2.780 1.00 0.00 C ATOM 1078 O PHE A 75 -4.943 -3.542 2.240 1.00 0.00 O ATOM 1079 CB PHE A 75 -5.370 -2.757 5.272 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.196 -2.931 6.204 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -3.830 -1.893 7.069 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.475 -4.131 6.207 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -2.743 -2.054 7.935 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -2.388 -4.293 7.074 1.00 0.00 C ATOM 1085 CZ PHE A 75 -2.022 -3.253 7.938 1.00 0.00 C ATOM 0 H PHE A 75 -5.782 -0.295 5.072 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.843 -1.952 3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.181 -2.239 5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.755 -3.731 4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.387 -0.968 7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.758 -4.932 5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.460 -1.252 8.601 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.832 -5.219 7.077 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.183 -3.377 8.607 1.00 0.00 H new ATOM 1095 N GLU A 76 -6.623 -2.130 2.309 1.00 0.00 N ATOM 1096 CA GLU A 76 -7.235 -2.723 1.086 1.00 0.00 C ATOM 1097 C GLU A 76 -6.222 -2.705 -0.063 1.00 0.00 C ATOM 1098 O GLU A 76 -5.506 -3.660 -0.287 1.00 0.00 O ATOM 1099 CB GLU A 76 -8.469 -1.909 0.688 1.00 0.00 C ATOM 1100 CG GLU A 76 -9.733 -2.715 0.993 1.00 0.00 C ATOM 1101 CD GLU A 76 -10.773 -1.807 1.652 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -11.220 -0.881 0.997 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -11.103 -2.054 2.800 1.00 0.00 O ATOM 0 H GLU A 76 -7.140 -1.352 2.719 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.526 -3.753 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.486 -0.965 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.429 -1.663 -0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.136 -3.140 0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.494 -3.550 1.652 1.00 0.00 H new ATOM 1110 N GLU A 77 -6.164 -1.626 -0.796 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.205 -1.545 -1.937 1.00 0.00 C ATOM 1112 C GLU A 77 -3.770 -1.691 -1.424 1.00 0.00 C ATOM 1113 O GLU A 77 -2.965 -2.396 -1.997 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.358 -0.191 -2.633 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.818 0.014 -3.040 1.00 0.00 C ATOM 1116 CD GLU A 77 -7.148 -0.891 -4.229 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.598 -0.659 -5.294 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.942 -1.800 -4.054 1.00 0.00 O ATOM 0 H GLU A 77 -6.740 -0.796 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.418 -2.349 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.040 0.610 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.715 -0.148 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.476 -0.215 -2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.990 1.057 -3.305 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.443 -1.023 -0.354 1.00 0.00 N ATOM 1126 CA PHE A 78 -2.058 -1.117 0.188 1.00 0.00 C ATOM 1127 C PHE A 78 -1.585 -2.573 0.162 1.00 0.00 C ATOM 1128 O PHE A 78 -0.407 -2.850 0.051 1.00 0.00 O ATOM 1129 CB PHE A 78 -2.044 -0.604 1.629 1.00 0.00 C ATOM 1130 CG PHE A 78 -0.679 -0.830 2.233 1.00 0.00 C ATOM 1131 CD1 PHE A 78 -0.286 -2.119 2.612 1.00 0.00 C ATOM 1132 CD2 PHE A 78 0.193 0.250 2.415 1.00 0.00 C ATOM 1133 CE1 PHE A 78 0.979 -2.329 3.172 1.00 0.00 C ATOM 1134 CE2 PHE A 78 1.459 0.041 2.976 1.00 0.00 C ATOM 1135 CZ PHE A 78 1.852 -1.249 3.354 1.00 0.00 C ATOM 0 H PHE A 78 -4.074 -0.416 0.169 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.390 -0.513 -0.426 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.291 0.457 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.803 -1.120 2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.959 -2.952 2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.111 1.244 2.123 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.282 -3.324 3.464 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.132 0.874 3.117 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.829 -1.411 3.786 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.490 -3.507 0.272 1.00 0.00 N ATOM 1146 CA LEU A 79 -2.084 -4.941 0.261 1.00 0.00 C ATOM 1147 C LEU A 79 -2.100 -5.484 -1.172 1.00 0.00 C ATOM 1148 O LEU A 79 -1.290 -6.313 -1.536 1.00 0.00 O ATOM 1149 CB LEU A 79 -3.057 -5.749 1.124 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.698 -5.567 2.600 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -3.614 -6.437 3.463 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.242 -5.985 2.823 1.00 0.00 C ATOM 0 H LEU A 79 -3.491 -3.339 0.369 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.074 -5.029 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.080 -5.419 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.010 -6.804 0.854 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.826 -4.521 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.356 -6.306 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.651 -6.142 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.488 -7.484 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.983 -5.856 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.117 -7.031 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.588 -5.365 2.210 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.018 -5.034 -1.985 1.00 0.00 N ATOM 1165 CA VAL A 80 -3.081 -5.543 -3.386 1.00 0.00 C ATOM 1166 C VAL A 80 -1.920 -4.967 -4.206 1.00 0.00 C ATOM 1167 O VAL A 80 -1.652 -5.407 -5.307 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.421 -5.143 -4.018 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -5.539 -5.308 -2.988 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.370 -3.681 -4.476 1.00 0.00 C ATOM 0 H VAL A 80 -3.724 -4.339 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.999 -6.630 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.613 -5.783 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.491 -5.024 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.586 -6.348 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.338 -4.670 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.325 -3.406 -4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.172 -3.038 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.576 -3.558 -5.212 1.00 0.00 H new ATOM 1180 N MET A 81 -1.229 -3.991 -3.683 1.00 0.00 N ATOM 1181 CA MET A 81 -0.091 -3.399 -4.443 1.00 0.00 C ATOM 1182 C MET A 81 1.185 -4.197 -4.162 1.00 0.00 C ATOM 1183 O MET A 81 2.107 -4.209 -4.952 1.00 0.00 O ATOM 1184 CB MET A 81 0.116 -1.946 -4.012 1.00 0.00 C ATOM 1185 CG MET A 81 1.063 -1.252 -4.993 1.00 0.00 C ATOM 1186 SD MET A 81 2.607 -0.833 -4.146 1.00 0.00 S ATOM 1187 CE MET A 81 1.887 0.246 -2.886 1.00 0.00 C ATOM 0 H MET A 81 -1.402 -3.579 -2.766 1.00 0.00 H new ATOM 0 HA MET A 81 -0.316 -3.434 -5.509 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.841 -1.424 -3.983 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.529 -1.910 -3.004 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.267 -1.905 -5.842 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.597 -0.350 -5.389 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.545 1.098 -2.718 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.913 0.601 -3.224 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.768 -0.310 -1.956 1.00 0.00 H new ATOM 1197 N MET A 82 1.246 -4.862 -3.041 1.00 0.00 N ATOM 1198 CA MET A 82 2.465 -5.653 -2.714 1.00 0.00 C ATOM 1199 C MET A 82 2.411 -7.000 -3.441 1.00 0.00 C ATOM 1200 O MET A 82 3.327 -7.367 -4.151 1.00 0.00 O ATOM 1201 CB MET A 82 2.531 -5.889 -1.204 1.00 0.00 C ATOM 1202 CG MET A 82 3.762 -5.181 -0.632 1.00 0.00 C ATOM 1203 SD MET A 82 3.341 -4.426 0.960 1.00 0.00 S ATOM 1204 CE MET A 82 4.902 -4.789 1.799 1.00 0.00 C ATOM 0 H MET A 82 0.506 -4.892 -2.339 1.00 0.00 H new ATOM 0 HA MET A 82 3.350 -5.104 -3.034 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.627 -5.513 -0.726 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.582 -6.957 -0.994 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.577 -5.893 -0.504 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.111 -4.418 -1.327 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.839 -4.469 2.839 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.095 -5.861 1.761 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.714 -4.256 1.304 1.00 0.00 H new ATOM 1214 N VAL A 83 1.347 -7.737 -3.273 1.00 0.00 N ATOM 1215 CA VAL A 83 1.242 -9.056 -3.958 1.00 0.00 C ATOM 1216 C VAL A 83 1.668 -8.907 -5.419 1.00 0.00 C ATOM 1217 O VAL A 83 2.375 -9.736 -5.957 1.00 0.00 O ATOM 1218 CB VAL A 83 -0.206 -9.551 -3.897 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.293 -10.953 -4.503 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.665 -9.598 -2.438 1.00 0.00 C ATOM 0 H VAL A 83 0.548 -7.483 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 83 1.893 -9.775 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.846 -8.872 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.324 -11.305 -4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.036 -10.921 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.347 -11.633 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.696 -9.950 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.024 -10.278 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.603 -8.600 -2.005 1.00 0.00 H new ATOM 1230 N ARG A 84 1.246 -7.855 -6.067 1.00 0.00 N ATOM 1231 CA ARG A 84 1.631 -7.655 -7.493 1.00 0.00 C ATOM 1232 C ARG A 84 3.152 -7.742 -7.626 1.00 0.00 C ATOM 1233 O ARG A 84 3.691 -8.744 -8.051 1.00 0.00 O ATOM 1234 CB ARG A 84 1.156 -6.277 -7.962 1.00 0.00 C ATOM 1235 CG ARG A 84 -0.213 -6.408 -8.632 1.00 0.00 C ATOM 1236 CD ARG A 84 -0.846 -5.023 -8.773 1.00 0.00 C ATOM 1237 NE ARG A 84 -0.187 -4.285 -9.888 1.00 0.00 N ATOM 1238 CZ ARG A 84 -0.810 -3.303 -10.480 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.255 -2.296 -9.779 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -0.989 -3.326 -11.772 1.00 0.00 N ATOM 0 H ARG A 84 0.652 -7.126 -5.671 1.00 0.00 H new ATOM 0 HA ARG A 84 1.167 -8.427 -8.107 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.094 -5.595 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.876 -5.852 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.107 -6.873 -9.612 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.859 -7.056 -8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.914 -5.118 -8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.740 -4.467 -7.842 1.00 0.00 H new ATOM 0 HE ARG A 84 0.752 -4.548 -10.188 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.116 -2.277 -8.769 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.742 -1.528 -10.241 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.642 -4.112 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.476 -2.558 -12.233 1.00 0.00 H new ATOM 1254 N GLN A 85 3.847 -6.699 -7.264 1.00 0.00 N ATOM 1255 CA GLN A 85 5.333 -6.721 -7.371 1.00 0.00 C ATOM 1256 C GLN A 85 5.923 -7.374 -6.119 1.00 0.00 C ATOM 1257 O GLN A 85 6.119 -6.733 -5.105 1.00 0.00 O ATOM 1258 CB GLN A 85 5.856 -5.288 -7.495 1.00 0.00 C ATOM 1259 CG GLN A 85 7.384 -5.303 -7.552 1.00 0.00 C ATOM 1260 CD GLN A 85 7.858 -4.467 -8.743 1.00 0.00 C ATOM 1261 OE1 GLN A 85 8.863 -4.771 -9.352 1.00 0.00 O ATOM 1262 NE2 GLN A 85 7.170 -3.418 -9.102 1.00 0.00 N ATOM 0 H GLN A 85 3.450 -5.833 -6.899 1.00 0.00 H new ATOM 0 HA GLN A 85 5.627 -7.292 -8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.453 -4.819 -8.393 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.519 -4.693 -6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.797 -4.903 -6.626 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.745 -6.327 -7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.325 -3.162 -8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.477 -2.854 -9.894 1.00 0.00 H new ATOM 1271 N MET A 86 6.208 -8.646 -6.181 1.00 0.00 N ATOM 1272 CA MET A 86 6.785 -9.340 -4.996 1.00 0.00 C ATOM 1273 C MET A 86 8.276 -9.015 -4.894 1.00 0.00 C ATOM 1274 O MET A 86 8.930 -8.745 -5.881 1.00 0.00 O ATOM 1275 CB MET A 86 6.601 -10.851 -5.149 1.00 0.00 C ATOM 1276 CG MET A 86 5.310 -11.280 -4.452 1.00 0.00 C ATOM 1277 SD MET A 86 5.298 -13.079 -4.251 1.00 0.00 S ATOM 1278 CE MET A 86 3.919 -13.165 -3.083 1.00 0.00 C ATOM 0 H MET A 86 6.066 -9.235 -7.002 1.00 0.00 H new ATOM 0 HA MET A 86 6.276 -9.003 -4.093 1.00 0.00 H new ATOM 0 HB2 MET A 86 6.563 -11.118 -6.205 1.00 0.00 H new ATOM 0 HB3 MET A 86 7.452 -11.377 -4.717 1.00 0.00 H new ATOM 0 HG2 MET A 86 5.231 -10.795 -3.479 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.446 -10.963 -5.037 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.733 -14.205 -2.816 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.167 -12.599 -2.185 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.026 -12.743 -3.543 1.00 0.00 H new ATOM 1288 N LYS A 87 8.817 -9.036 -3.708 1.00 0.00 N ATOM 1289 CA LYS A 87 10.266 -8.727 -3.545 1.00 0.00 C ATOM 1290 C LYS A 87 11.097 -9.925 -4.006 1.00 0.00 C ATOM 1291 O LYS A 87 12.269 -9.803 -4.301 1.00 0.00 O ATOM 1292 CB LYS A 87 10.561 -8.434 -2.072 1.00 0.00 C ATOM 1293 CG LYS A 87 10.634 -6.921 -1.859 1.00 0.00 C ATOM 1294 CD LYS A 87 10.878 -6.624 -0.378 1.00 0.00 C ATOM 1295 CE LYS A 87 10.895 -5.109 -0.157 1.00 0.00 C ATOM 1296 NZ LYS A 87 11.115 -4.819 1.289 1.00 0.00 N ATOM 0 H LYS A 87 8.319 -9.254 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 87 10.523 -7.855 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.783 -8.864 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.502 -8.899 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.436 -6.497 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.706 -6.452 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.097 -7.082 0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.825 -7.059 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.684 -4.653 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.952 -4.672 -0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.127 -3.790 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.347 -5.242 1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.025 -5.223 1.589 1.00 0.00 H new ATOM 1310 N GLU A 88 10.499 -11.083 -4.073 1.00 0.00 N ATOM 1311 CA GLU A 88 11.258 -12.286 -4.519 1.00 0.00 C ATOM 1312 C GLU A 88 11.360 -12.289 -6.047 1.00 0.00 C ATOM 1313 O GLU A 88 11.869 -13.217 -6.643 1.00 0.00 O ATOM 1314 CB GLU A 88 10.530 -13.548 -4.051 1.00 0.00 C ATOM 1315 CG GLU A 88 9.156 -13.623 -4.717 1.00 0.00 C ATOM 1316 CD GLU A 88 8.736 -15.088 -4.859 1.00 0.00 C ATOM 1317 OE1 GLU A 88 8.313 -15.661 -3.869 1.00 0.00 O ATOM 1318 OE2 GLU A 88 8.846 -15.610 -5.955 1.00 0.00 O ATOM 0 H GLU A 88 9.520 -11.248 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 88 12.260 -12.265 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.116 -14.432 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.420 -13.536 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.422 -13.079 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.189 -13.146 -5.697 1.00 0.00 H new ATOM 1325 N ASP A 89 10.882 -11.255 -6.687 1.00 0.00 N ATOM 1326 CA ASP A 89 10.952 -11.202 -8.175 1.00 0.00 C ATOM 1327 C ASP A 89 10.230 -12.416 -8.762 1.00 0.00 C ATOM 1328 O ASP A 89 10.784 -13.493 -8.859 1.00 0.00 O ATOM 1329 CB ASP A 89 12.418 -11.214 -8.620 1.00 0.00 C ATOM 1330 CG ASP A 89 13.185 -10.115 -7.882 1.00 0.00 C ATOM 1331 OD1 ASP A 89 12.627 -9.552 -6.955 1.00 0.00 O ATOM 1332 OD2 ASP A 89 14.317 -9.857 -8.255 1.00 0.00 O ATOM 0 H ASP A 89 10.447 -10.446 -6.244 1.00 0.00 H new ATOM 0 HA ASP A 89 10.474 -10.288 -8.529 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.864 -12.186 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.483 -11.058 -9.697 1.00 0.00 H new ATOM 1337 N ALA A 90 8.996 -12.252 -9.153 1.00 0.00 N ATOM 1338 CA ALA A 90 8.239 -13.397 -9.733 1.00 0.00 C ATOM 1339 C ALA A 90 7.387 -12.906 -10.905 1.00 0.00 C ATOM 1340 O ALA A 90 7.634 -13.345 -12.016 1.00 0.00 O ATOM 1341 CB ALA A 90 7.330 -14.002 -8.661 1.00 0.00 C ATOM 1342 OXT ALA A 90 6.502 -12.100 -10.671 1.00 0.00 O ATOM 0 H ALA A 90 8.479 -11.374 -9.096 1.00 0.00 H new ATOM 0 HA ALA A 90 8.940 -14.154 -10.086 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.776 -14.840 -9.084 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.936 -14.353 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.630 -13.245 -8.308 1.00 0.00 H new TER 1348 ALA A 90