USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 541 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.32 (180deg=0.852) USER MOD Single : A 6 SER OG : rot 7:sc= 0.913 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -160:sc= -0.114 USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00561 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.0697 F(o=-1.2,f=-0.07) USER MOD Single : A 27 GLN : amide:sc= 1.11 K(o=1.1,f=-0.11) USER MOD Single : A 44 THR OG1 : rot -73:sc= 0.104 USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= -0.172 (180deg=-0.869) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.022 25.945 -2.306 1.00 0.00 N ATOM 2 CA MET A 1 -7.211 25.543 -1.134 1.00 0.00 C ATOM 3 C MET A 1 -7.667 24.192 -0.600 1.00 0.00 C ATOM 4 O MET A 1 -6.976 23.186 -0.763 1.00 0.00 O ATOM 5 CB MET A 1 -7.289 26.596 -0.021 1.00 0.00 C ATOM 6 CG MET A 1 -6.601 27.911 -0.364 1.00 0.00 C ATOM 7 SD MET A 1 -7.423 28.806 -1.698 1.00 0.00 S ATOM 8 CE MET A 1 -6.327 30.208 -1.894 1.00 0.00 C ATOM 0 H1 MET A 1 -7.890 26.960 -2.488 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.720 25.402 -3.140 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.026 25.755 -2.115 1.00 0.00 H new ATOM 0 HA MET A 1 -6.175 25.462 -1.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.337 26.794 0.205 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.839 26.188 0.884 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.570 28.542 0.525 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.568 27.711 -0.650 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.703 30.856 -2.686 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.280 30.767 -0.959 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.329 29.856 -2.156 1.00 0.00 H new ATOM 20 N PHE A 2 -8.831 24.167 0.039 1.00 0.00 N ATOM 21 CA PHE A 2 -9.366 22.933 0.599 1.00 0.00 C ATOM 22 C PHE A 2 -10.610 22.504 -0.164 1.00 0.00 C ATOM 23 O PHE A 2 -10.949 23.112 -1.183 1.00 0.00 O ATOM 24 CB PHE A 2 -9.681 23.117 2.084 1.00 0.00 C ATOM 25 CG PHE A 2 -8.456 23.366 2.921 1.00 0.00 C ATOM 26 CD1 PHE A 2 -7.725 22.305 3.431 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.031 24.657 3.191 1.00 0.00 C ATOM 28 CE1 PHE A 2 -6.594 22.526 4.194 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.900 24.884 3.953 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.182 23.817 4.456 1.00 0.00 C ATOM 0 H PHE A 2 -9.421 24.987 0.182 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.615 22.149 0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.370 23.953 2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.192 22.228 2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.043 21.293 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.590 25.495 2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.033 21.690 4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.578 25.895 4.155 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.300 23.992 5.053 1.00 0.00 H new ATOM 40 N ARG A 3 -11.278 21.462 0.330 1.00 0.00 N ATOM 41 CA ARG A 3 -12.462 20.909 -0.326 1.00 0.00 C ATOM 42 C ARG A 3 -12.093 20.356 -1.699 1.00 0.00 C ATOM 43 O ARG A 3 -12.822 20.549 -2.678 1.00 0.00 O ATOM 44 CB ARG A 3 -13.572 21.962 -0.464 1.00 0.00 C ATOM 45 CG ARG A 3 -14.258 22.324 0.844 1.00 0.00 C ATOM 46 CD ARG A 3 -15.371 23.340 0.623 1.00 0.00 C ATOM 47 NE ARG A 3 -16.330 22.891 -0.389 1.00 0.00 N ATOM 48 CZ ARG A 3 -17.501 23.481 -0.630 1.00 0.00 C ATOM 49 NH1 ARG A 3 -17.897 24.515 0.099 1.00 0.00 N ATOM 50 NH2 ARG A 3 -18.278 23.025 -1.605 1.00 0.00 N ATOM 0 H ARG A 3 -11.016 20.980 1.190 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.842 20.100 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.147 22.866 -0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.322 21.593 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.669 21.425 1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -13.525 22.730 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.893 23.517 1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.938 24.292 0.315 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.086 22.072 -0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.304 24.865 0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.795 24.960 -0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.978 22.227 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -19.175 23.472 -1.794 1.00 0.00 H new ATOM 64 N GLU A 4 -10.959 19.664 -1.761 1.00 0.00 N ATOM 65 CA GLU A 4 -10.493 19.077 -3.009 1.00 0.00 C ATOM 66 C GLU A 4 -11.510 18.077 -3.542 1.00 0.00 C ATOM 67 O GLU A 4 -12.038 17.246 -2.799 1.00 0.00 O ATOM 68 CB GLU A 4 -9.117 18.412 -2.848 1.00 0.00 C ATOM 69 CG GLU A 4 -8.948 17.592 -1.577 1.00 0.00 C ATOM 70 CD GLU A 4 -8.568 18.444 -0.382 1.00 0.00 C ATOM 71 OE1 GLU A 4 -7.363 18.739 -0.218 1.00 0.00 O ATOM 72 OE2 GLU A 4 -9.468 18.824 0.394 1.00 0.00 O ATOM 0 H GLU A 4 -10.348 19.497 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.384 19.886 -3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.939 17.765 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.350 19.187 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.878 17.065 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.181 16.834 -1.737 1.00 0.00 H new ATOM 79 N GLU A 5 -11.781 18.178 -4.835 1.00 0.00 N ATOM 80 CA GLU A 5 -12.828 17.402 -5.482 1.00 0.00 C ATOM 81 C GLU A 5 -12.614 15.903 -5.279 1.00 0.00 C ATOM 82 O GLU A 5 -11.590 15.356 -5.687 1.00 0.00 O ATOM 83 CB GLU A 5 -12.860 17.749 -6.967 1.00 0.00 C ATOM 84 CG GLU A 5 -14.133 17.326 -7.679 1.00 0.00 C ATOM 85 CD GLU A 5 -14.264 17.984 -9.033 1.00 0.00 C ATOM 86 OE1 GLU A 5 -14.636 19.177 -9.081 1.00 0.00 O ATOM 87 OE2 GLU A 5 -13.986 17.327 -10.051 1.00 0.00 O ATOM 0 H GLU A 5 -11.279 18.802 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.787 17.654 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.735 18.826 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.009 17.276 -7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.139 16.243 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.996 17.584 -7.065 1.00 0.00 H new ATOM 94 N SER A 6 -13.585 15.273 -4.609 1.00 0.00 N ATOM 95 CA SER A 6 -13.592 13.832 -4.310 1.00 0.00 C ATOM 96 C SER A 6 -12.357 13.389 -3.512 1.00 0.00 C ATOM 97 O SER A 6 -12.114 12.187 -3.368 1.00 0.00 O ATOM 98 CB SER A 6 -13.753 12.992 -5.595 1.00 0.00 C ATOM 99 OG SER A 6 -12.685 13.181 -6.509 1.00 0.00 O ATOM 0 H SER A 6 -14.407 15.759 -4.251 1.00 0.00 H new ATOM 0 HA SER A 6 -14.459 13.652 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.816 11.937 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.693 13.255 -6.081 1.00 0.00 H new ATOM 0 HG SER A 6 -11.992 13.734 -6.092 1.00 0.00 H new ATOM 105 N ARG A 7 -11.613 14.364 -2.975 1.00 0.00 N ATOM 106 CA ARG A 7 -10.397 14.122 -2.183 1.00 0.00 C ATOM 107 C ARG A 7 -9.261 13.516 -3.016 1.00 0.00 C ATOM 108 O ARG A 7 -8.168 14.077 -3.081 1.00 0.00 O ATOM 109 CB ARG A 7 -10.677 13.226 -0.968 1.00 0.00 C ATOM 110 CG ARG A 7 -11.586 13.855 0.077 1.00 0.00 C ATOM 111 CD ARG A 7 -11.568 13.049 1.367 1.00 0.00 C ATOM 112 NE ARG A 7 -12.463 13.601 2.388 1.00 0.00 N ATOM 113 CZ ARG A 7 -12.041 14.207 3.505 1.00 0.00 C ATOM 114 NH1 ARG A 7 -10.742 14.395 3.719 1.00 0.00 N ATOM 115 NH2 ARG A 7 -12.920 14.627 4.406 1.00 0.00 N ATOM 0 H ARG A 7 -11.839 15.353 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.074 15.103 -1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.129 12.296 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.729 12.964 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.264 14.877 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -12.604 13.911 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.858 12.020 1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.551 13.019 1.758 1.00 0.00 H new ATOM 0 HE ARG A 7 -13.469 13.519 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.060 14.077 3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.427 14.857 4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.918 14.488 4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.598 15.088 5.257 1.00 0.00 H new ATOM 129 N SER A 8 -9.537 12.365 -3.626 1.00 0.00 N ATOM 130 CA SER A 8 -8.552 11.596 -4.393 1.00 0.00 C ATOM 131 C SER A 8 -7.515 10.958 -3.471 1.00 0.00 C ATOM 132 O SER A 8 -6.480 10.466 -3.916 1.00 0.00 O ATOM 133 CB SER A 8 -7.884 12.465 -5.463 1.00 0.00 C ATOM 134 OG SER A 8 -8.856 13.029 -6.334 1.00 0.00 O ATOM 0 H SER A 8 -10.461 11.933 -3.603 1.00 0.00 H new ATOM 0 HA SER A 8 -9.081 10.792 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.311 13.260 -4.986 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.179 11.864 -6.038 1.00 0.00 H new ATOM 0 HG SER A 8 -8.409 13.582 -7.009 1.00 0.00 H new ATOM 140 N VAL A 9 -7.834 10.953 -2.187 1.00 0.00 N ATOM 141 CA VAL A 9 -6.986 10.355 -1.160 1.00 0.00 C ATOM 142 C VAL A 9 -7.844 9.799 -0.021 1.00 0.00 C ATOM 143 O VAL A 9 -8.336 10.544 0.826 1.00 0.00 O ATOM 144 CB VAL A 9 -5.948 11.359 -0.587 1.00 0.00 C ATOM 145 CG1 VAL A 9 -4.782 11.545 -1.546 1.00 0.00 C ATOM 146 CG2 VAL A 9 -6.592 12.706 -0.284 1.00 0.00 C ATOM 0 H VAL A 9 -8.693 11.365 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.433 9.546 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.570 10.939 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.070 12.253 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.288 10.587 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.151 11.929 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.840 13.387 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.010 13.124 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.387 12.572 0.450 1.00 0.00 H new ATOM 156 N PRO A 10 -8.079 8.480 -0.016 1.00 0.00 N ATOM 157 CA PRO A 10 -8.880 7.828 1.019 1.00 0.00 C ATOM 158 C PRO A 10 -8.071 7.497 2.275 1.00 0.00 C ATOM 159 O PRO A 10 -8.634 7.200 3.329 1.00 0.00 O ATOM 160 CB PRO A 10 -9.350 6.551 0.332 1.00 0.00 C ATOM 161 CG PRO A 10 -8.267 6.215 -0.637 1.00 0.00 C ATOM 162 CD PRO A 10 -7.616 7.519 -1.037 1.00 0.00 C ATOM 0 HA PRO A 10 -9.688 8.468 1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.499 5.747 1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.302 6.704 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.538 5.543 -0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.674 5.703 -1.509 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.529 7.437 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.918 7.825 -2.039 1.00 0.00 H new ATOM 170 N VAL A 11 -6.752 7.560 2.161 1.00 0.00 N ATOM 171 CA VAL A 11 -5.869 7.237 3.274 1.00 0.00 C ATOM 172 C VAL A 11 -5.119 8.476 3.747 1.00 0.00 C ATOM 173 O VAL A 11 -4.871 9.398 2.970 1.00 0.00 O ATOM 174 CB VAL A 11 -4.856 6.129 2.906 1.00 0.00 C ATOM 175 CG1 VAL A 11 -5.568 4.799 2.700 1.00 0.00 C ATOM 176 CG2 VAL A 11 -4.071 6.509 1.662 1.00 0.00 C ATOM 0 H VAL A 11 -6.268 7.833 1.306 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.501 6.866 4.081 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.155 6.021 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.838 4.032 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.083 4.516 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.294 4.896 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.364 5.715 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.758 6.649 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.527 7.436 1.844 1.00 0.00 H new ATOM 186 N GLU A 12 -4.775 8.493 5.027 1.00 0.00 N ATOM 187 CA GLU A 12 -4.060 9.618 5.616 1.00 0.00 C ATOM 188 C GLU A 12 -2.556 9.384 5.557 1.00 0.00 C ATOM 189 O GLU A 12 -2.096 8.242 5.598 1.00 0.00 O ATOM 190 CB GLU A 12 -4.487 9.821 7.071 1.00 0.00 C ATOM 191 CG GLU A 12 -5.973 10.068 7.249 1.00 0.00 C ATOM 192 CD GLU A 12 -6.452 11.293 6.503 1.00 0.00 C ATOM 193 OE1 GLU A 12 -6.094 12.421 6.909 1.00 0.00 O ATOM 194 OE2 GLU A 12 -7.196 11.138 5.514 1.00 0.00 O ATOM 0 H GLU A 12 -4.980 7.737 5.681 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.305 10.512 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.204 8.941 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.936 10.665 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.527 9.196 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.194 10.184 8.310 1.00 0.00 H new ATOM 201 N GLU A 13 -1.793 10.459 5.436 1.00 0.00 N ATOM 202 CA GLU A 13 -0.342 10.362 5.440 1.00 0.00 C ATOM 203 C GLU A 13 0.172 9.949 6.819 1.00 0.00 C ATOM 204 O GLU A 13 0.112 10.717 7.779 1.00 0.00 O ATOM 205 CB GLU A 13 0.287 11.678 4.986 1.00 0.00 C ATOM 206 CG GLU A 13 -0.171 12.093 3.597 1.00 0.00 C ATOM 207 CD GLU A 13 0.620 13.245 3.020 1.00 0.00 C ATOM 208 OE1 GLU A 13 0.327 14.406 3.365 1.00 0.00 O ATOM 209 OE2 GLU A 13 1.533 12.993 2.206 1.00 0.00 O ATOM 0 H GLU A 13 -2.154 11.408 5.334 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.048 9.588 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.033 12.463 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.373 11.580 4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.093 11.237 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.224 12.370 3.638 1.00 0.00 H new ATOM 216 N GLY A 14 0.668 8.725 6.901 1.00 0.00 N ATOM 217 CA GLY A 14 1.160 8.180 8.151 1.00 0.00 C ATOM 218 C GLY A 14 0.203 7.167 8.744 1.00 0.00 C ATOM 219 O GLY A 14 0.138 6.999 9.964 1.00 0.00 O ATOM 0 H GLY A 14 0.740 8.087 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.129 7.709 7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.317 8.990 8.863 1.00 0.00 H new ATOM 223 N GLU A 15 -0.553 6.491 7.886 1.00 0.00 N ATOM 224 CA GLU A 15 -1.445 5.427 8.339 1.00 0.00 C ATOM 225 C GLU A 15 -0.698 4.113 8.397 1.00 0.00 C ATOM 226 O GLU A 15 0.331 3.949 7.751 1.00 0.00 O ATOM 227 CB GLU A 15 -2.651 5.263 7.416 1.00 0.00 C ATOM 228 CG GLU A 15 -3.669 6.382 7.508 1.00 0.00 C ATOM 229 CD GLU A 15 -4.510 6.296 8.763 1.00 0.00 C ATOM 230 OE1 GLU A 15 -4.055 6.756 9.829 1.00 0.00 O ATOM 231 OE2 GLU A 15 -5.630 5.753 8.695 1.00 0.00 O ATOM 0 H GLU A 15 -0.567 6.658 6.880 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.802 5.707 9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.298 5.193 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.145 4.319 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.153 7.342 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.320 6.349 6.635 1.00 0.00 H new ATOM 238 N VAL A 16 -1.230 3.180 9.151 1.00 0.00 N ATOM 239 CA VAL A 16 -0.624 1.867 9.297 1.00 0.00 C ATOM 240 C VAL A 16 -1.706 0.799 9.279 1.00 0.00 C ATOM 241 O VAL A 16 -2.565 0.765 10.159 1.00 0.00 O ATOM 242 CB VAL A 16 0.186 1.730 10.610 1.00 0.00 C ATOM 243 CG1 VAL A 16 0.867 0.371 10.676 1.00 0.00 C ATOM 244 CG2 VAL A 16 1.211 2.849 10.752 1.00 0.00 C ATOM 0 H VAL A 16 -2.092 3.304 9.681 1.00 0.00 H new ATOM 0 HA VAL A 16 0.064 1.739 8.461 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.513 1.813 11.442 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.432 0.292 11.605 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.113 -0.416 10.641 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.545 0.262 9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.761 2.722 11.684 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.906 2.815 9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.700 3.812 10.761 1.00 0.00 H new ATOM 254 N TYR A 17 -1.683 -0.053 8.270 1.00 0.00 N ATOM 255 CA TYR A 17 -2.656 -1.126 8.175 1.00 0.00 C ATOM 256 C TYR A 17 -2.064 -2.315 7.431 1.00 0.00 C ATOM 257 O TYR A 17 -1.272 -2.143 6.504 1.00 0.00 O ATOM 258 CB TYR A 17 -3.953 -0.638 7.507 1.00 0.00 C ATOM 259 CG TYR A 17 -3.784 0.044 6.168 1.00 0.00 C ATOM 260 CD1 TYR A 17 -3.562 1.418 6.070 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.890 -0.684 4.996 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.445 2.030 4.845 1.00 0.00 C ATOM 263 CE2 TYR A 17 -3.779 -0.073 3.767 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.557 1.281 3.698 1.00 0.00 C ATOM 265 OH TYR A 17 -3.458 1.888 2.475 1.00 0.00 O ATOM 0 H TYR A 17 -1.005 -0.023 7.509 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.910 -1.450 9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.617 -1.493 7.378 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.452 0.054 8.186 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.481 2.009 6.970 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.063 -1.749 5.046 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.266 3.093 4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.866 -0.655 2.862 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.857 1.311 1.790 1.00 0.00 H new ATOM 275 N ASP A 18 -2.412 -3.518 7.868 1.00 0.00 N ATOM 276 CA ASP A 18 -1.916 -4.730 7.229 1.00 0.00 C ATOM 277 C ASP A 18 -2.781 -5.091 6.030 1.00 0.00 C ATOM 278 O ASP A 18 -4.011 -5.000 6.077 1.00 0.00 O ATOM 279 CB ASP A 18 -1.843 -5.902 8.224 1.00 0.00 C ATOM 280 CG ASP A 18 -3.199 -6.457 8.620 1.00 0.00 C ATOM 281 OD1 ASP A 18 -3.805 -5.937 9.580 1.00 0.00 O ATOM 282 OD2 ASP A 18 -3.654 -7.435 7.990 1.00 0.00 O ATOM 0 H ASP A 18 -3.034 -3.681 8.660 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.902 -4.534 6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.248 -6.702 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.320 -5.572 9.122 1.00 0.00 H new ATOM 287 N VAL A 19 -2.122 -5.474 4.952 1.00 0.00 N ATOM 288 CA VAL A 19 -2.789 -5.774 3.698 1.00 0.00 C ATOM 289 C VAL A 19 -2.259 -7.059 3.094 1.00 0.00 C ATOM 290 O VAL A 19 -1.173 -7.522 3.444 1.00 0.00 O ATOM 291 CB VAL A 19 -2.578 -4.646 2.668 1.00 0.00 C ATOM 292 CG1 VAL A 19 -3.301 -3.380 3.088 1.00 0.00 C ATOM 293 CG2 VAL A 19 -1.090 -4.381 2.464 1.00 0.00 C ATOM 0 H VAL A 19 -1.109 -5.586 4.921 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.850 -5.875 3.925 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.002 -4.970 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.135 -2.602 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.369 -3.581 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.919 -3.046 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.959 -3.582 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.640 -4.084 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.606 -5.287 2.101 1.00 0.00 H new ATOM 303 N THR A 20 -3.035 -7.632 2.198 1.00 0.00 N ATOM 304 CA THR A 20 -2.570 -8.729 1.381 1.00 0.00 C ATOM 305 C THR A 20 -2.266 -8.208 -0.017 1.00 0.00 C ATOM 306 O THR A 20 -3.119 -7.571 -0.642 1.00 0.00 O ATOM 307 CB THR A 20 -3.621 -9.853 1.304 1.00 0.00 C ATOM 308 OG1 THR A 20 -3.986 -10.270 2.629 1.00 0.00 O ATOM 309 CG2 THR A 20 -3.085 -11.045 0.523 1.00 0.00 C ATOM 0 H THR A 20 -3.999 -7.352 2.017 1.00 0.00 H new ATOM 0 HA THR A 20 -1.669 -9.146 1.832 1.00 0.00 H new ATOM 0 HB THR A 20 -4.499 -9.466 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.656 -10.983 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.845 -11.825 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.832 -10.732 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.194 -11.432 1.017 1.00 0.00 H new ATOM 317 N ILE A 21 -1.055 -8.457 -0.498 1.00 0.00 N ATOM 318 CA ILE A 21 -0.657 -7.983 -1.813 1.00 0.00 C ATOM 319 C ILE A 21 -1.458 -8.710 -2.881 1.00 0.00 C ATOM 320 O ILE A 21 -1.345 -9.925 -3.045 1.00 0.00 O ATOM 321 CB ILE A 21 0.856 -8.175 -2.064 1.00 0.00 C ATOM 322 CG1 ILE A 21 1.672 -7.432 -0.999 1.00 0.00 C ATOM 323 CG2 ILE A 21 1.235 -7.693 -3.458 1.00 0.00 C ATOM 324 CD1 ILE A 21 1.413 -5.939 -0.956 1.00 0.00 C ATOM 0 H ILE A 21 -0.336 -8.982 0.001 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.862 -6.913 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 21 1.084 -9.239 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.448 -7.858 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.733 -7.601 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.304 -7.837 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.679 -8.262 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.993 -6.635 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.027 -5.485 -0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.665 -5.498 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.360 -5.758 -0.739 1.00 0.00 H new ATOM 336 N GLN A 22 -2.285 -7.950 -3.581 1.00 0.00 N ATOM 337 CA GLN A 22 -3.267 -8.515 -4.491 1.00 0.00 C ATOM 338 C GLN A 22 -2.739 -8.541 -5.923 1.00 0.00 C ATOM 339 O GLN A 22 -3.068 -9.440 -6.698 1.00 0.00 O ATOM 340 CB GLN A 22 -4.553 -7.686 -4.425 1.00 0.00 C ATOM 341 CG GLN A 22 -5.833 -8.494 -4.585 1.00 0.00 C ATOM 342 CD GLN A 22 -6.119 -9.412 -3.405 1.00 0.00 C ATOM 343 OE1 GLN A 22 -5.677 -9.029 -2.213 1.00 0.00 O flip ATOM 344 NE2 GLN A 22 -6.745 -10.458 -3.561 1.00 0.00 N flip ATOM 0 H GLN A 22 -2.295 -6.931 -3.535 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.472 -9.542 -4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.585 -7.164 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.520 -6.924 -5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.672 -7.810 -4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.765 -9.092 -5.493 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.071 -10.724 -4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.939 -11.061 -2.761 1.00 0.00 H new ATOM 353 N ASP A 23 -1.919 -7.555 -6.269 1.00 0.00 N ATOM 354 CA ASP A 23 -1.408 -7.429 -7.632 1.00 0.00 C ATOM 355 C ASP A 23 0.055 -6.995 -7.620 1.00 0.00 C ATOM 356 O ASP A 23 0.566 -6.570 -6.587 1.00 0.00 O ATOM 357 CB ASP A 23 -2.277 -6.424 -8.402 1.00 0.00 C ATOM 358 CG ASP A 23 -1.840 -6.202 -9.839 1.00 0.00 C ATOM 359 OD1 ASP A 23 -1.751 -7.188 -10.602 1.00 0.00 O ATOM 360 OD2 ASP A 23 -1.615 -5.035 -10.219 1.00 0.00 O ATOM 0 H ASP A 23 -1.594 -6.832 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.457 -8.397 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.309 -6.774 -8.397 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.261 -5.469 -7.877 1.00 0.00 H new ATOM 365 N ILE A 24 0.722 -7.120 -8.760 1.00 0.00 N ATOM 366 CA ILE A 24 2.109 -6.720 -8.908 1.00 0.00 C ATOM 367 C ILE A 24 2.224 -5.842 -10.139 1.00 0.00 C ATOM 368 O ILE A 24 1.695 -6.176 -11.198 1.00 0.00 O ATOM 369 CB ILE A 24 3.064 -7.930 -9.067 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.983 -8.857 -7.855 1.00 0.00 C ATOM 371 CG2 ILE A 24 4.500 -7.465 -9.272 1.00 0.00 C ATOM 372 CD1 ILE A 24 3.449 -8.223 -6.561 1.00 0.00 C ATOM 0 H ILE A 24 0.311 -7.504 -9.611 1.00 0.00 H new ATOM 0 HA ILE A 24 2.403 -6.188 -8.003 1.00 0.00 H new ATOM 0 HB ILE A 24 2.747 -8.486 -9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.952 -9.190 -7.734 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.584 -9.745 -8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.151 -8.332 -9.381 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.559 -6.852 -10.171 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.819 -6.878 -8.411 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.360 -8.945 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.490 -7.915 -6.661 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.833 -7.352 -6.340 1.00 0.00 H new ATOM 384 N ALA A 25 2.921 -4.730 -10.011 1.00 0.00 N ATOM 385 CA ALA A 25 3.022 -3.772 -11.102 1.00 0.00 C ATOM 386 C ALA A 25 4.070 -4.190 -12.127 1.00 0.00 C ATOM 387 O ALA A 25 4.423 -3.413 -13.012 1.00 0.00 O ATOM 388 CB ALA A 25 3.330 -2.402 -10.542 1.00 0.00 C ATOM 0 H ALA A 25 3.426 -4.465 -9.165 1.00 0.00 H new ATOM 0 HA ALA A 25 2.065 -3.741 -11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.406 -1.684 -11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.532 -2.098 -9.864 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.274 -2.435 -9.999 1.00 0.00 H new ATOM 394 N ARG A 26 4.538 -5.434 -12.003 1.00 0.00 N ATOM 395 CA ARG A 26 5.557 -5.994 -12.887 1.00 0.00 C ATOM 396 C ARG A 26 6.818 -5.141 -12.845 1.00 0.00 C ATOM 397 O ARG A 26 7.023 -4.253 -13.679 1.00 0.00 O ATOM 398 CB ARG A 26 5.033 -6.111 -14.315 1.00 0.00 C ATOM 399 CG ARG A 26 5.802 -7.102 -15.172 1.00 0.00 C ATOM 400 CD ARG A 26 5.600 -8.529 -14.686 1.00 0.00 C ATOM 401 NE ARG A 26 6.355 -9.497 -15.481 1.00 0.00 N ATOM 402 CZ ARG A 26 6.218 -10.819 -15.378 1.00 0.00 C ATOM 403 NH1 ARG A 26 5.328 -11.341 -14.539 1.00 0.00 N ATOM 404 NH2 ARG A 26 6.966 -11.614 -16.129 1.00 0.00 N ATOM 0 H ARG A 26 4.218 -6.082 -11.283 1.00 0.00 H new ATOM 0 HA ARG A 26 5.803 -6.996 -12.536 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.985 -6.409 -14.284 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.072 -5.130 -14.788 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.475 -7.019 -16.209 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.864 -6.856 -15.152 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.906 -8.602 -13.642 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.539 -8.778 -14.726 1.00 0.00 H new ATOM 0 HE ARG A 26 7.029 -9.138 -16.157 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.744 -10.729 -13.969 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.229 -12.354 -14.466 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.641 -11.213 -16.780 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.867 -12.627 -16.056 1.00 0.00 H new ATOM 418 N GLN A 27 7.655 -5.439 -11.866 1.00 0.00 N ATOM 419 CA GLN A 27 8.807 -4.611 -11.524 1.00 0.00 C ATOM 420 C GLN A 27 9.422 -5.130 -10.231 1.00 0.00 C ATOM 421 O GLN A 27 10.609 -4.939 -9.964 1.00 0.00 O ATOM 422 CB GLN A 27 8.395 -3.141 -11.346 1.00 0.00 C ATOM 423 CG GLN A 27 9.561 -2.200 -11.100 1.00 0.00 C ATOM 424 CD GLN A 27 9.144 -0.743 -11.050 1.00 0.00 C ATOM 425 OE1 GLN A 27 9.121 -0.056 -12.072 1.00 0.00 O ATOM 426 NE2 GLN A 27 8.804 -0.259 -9.867 1.00 0.00 N ATOM 0 H GLN A 27 7.557 -6.268 -11.280 1.00 0.00 H new ATOM 0 HA GLN A 27 9.533 -4.665 -12.335 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.859 -2.814 -12.237 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.699 -3.068 -10.510 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.044 -2.467 -10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.302 -2.334 -11.888 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.836 -0.859 -9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.510 0.714 -9.779 1.00 0.00 H new ATOM 435 N GLY A 28 8.594 -5.797 -9.436 1.00 0.00 N ATOM 436 CA GLY A 28 9.048 -6.353 -8.175 1.00 0.00 C ATOM 437 C GLY A 28 8.310 -5.749 -6.999 1.00 0.00 C ATOM 438 O GLY A 28 8.402 -6.235 -5.873 1.00 0.00 O ATOM 0 H GLY A 28 7.609 -5.964 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.902 -7.433 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.118 -6.176 -8.063 1.00 0.00 H new ATOM 442 N ASP A 29 7.573 -4.683 -7.265 1.00 0.00 N ATOM 443 CA ASP A 29 6.828 -3.996 -6.225 1.00 0.00 C ATOM 444 C ASP A 29 5.371 -4.426 -6.241 1.00 0.00 C ATOM 445 O ASP A 29 4.793 -4.657 -7.309 1.00 0.00 O ATOM 446 CB ASP A 29 6.936 -2.481 -6.399 1.00 0.00 C ATOM 447 CG ASP A 29 8.374 -2.009 -6.429 1.00 0.00 C ATOM 448 OD1 ASP A 29 9.074 -2.151 -5.405 1.00 0.00 O ATOM 449 OD2 ASP A 29 8.818 -1.521 -7.488 1.00 0.00 O ATOM 0 H ASP A 29 7.475 -4.275 -8.195 1.00 0.00 H new ATOM 0 HA ASP A 29 7.259 -4.265 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.440 -2.187 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.410 -1.985 -5.583 1.00 0.00 H new ATOM 454 N GLY A 30 4.788 -4.533 -5.059 1.00 0.00 N ATOM 455 CA GLY A 30 3.432 -5.014 -4.936 1.00 0.00 C ATOM 456 C GLY A 30 2.410 -3.906 -5.002 1.00 0.00 C ATOM 457 O GLY A 30 2.687 -2.766 -4.619 1.00 0.00 O ATOM 0 H GLY A 30 5.236 -4.292 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.233 -5.733 -5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.324 -5.546 -3.990 1.00 0.00 H new ATOM 461 N ILE A 31 1.228 -4.238 -5.491 1.00 0.00 N ATOM 462 CA ILE A 31 0.148 -3.278 -5.612 1.00 0.00 C ATOM 463 C ILE A 31 -0.972 -3.596 -4.633 1.00 0.00 C ATOM 464 O ILE A 31 -1.593 -4.669 -4.694 1.00 0.00 O ATOM 465 CB ILE A 31 -0.422 -3.244 -7.049 1.00 0.00 C ATOM 466 CG1 ILE A 31 0.651 -2.773 -8.034 1.00 0.00 C ATOM 467 CG2 ILE A 31 -1.649 -2.341 -7.124 1.00 0.00 C ATOM 468 CD1 ILE A 31 1.186 -1.391 -7.731 1.00 0.00 C ATOM 0 H ILE A 31 0.992 -5.176 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 31 0.564 -2.298 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.727 -4.254 -7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.478 -3.484 -8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.236 -2.780 -9.042 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.033 -2.333 -8.144 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.419 -2.716 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.373 -1.328 -6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.942 -1.124 -8.469 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.370 -0.669 -7.769 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.632 -1.383 -6.736 1.00 0.00 H new ATOM 480 N ALA A 32 -1.208 -2.667 -3.720 1.00 0.00 N ATOM 481 CA ALA A 32 -2.338 -2.741 -2.815 1.00 0.00 C ATOM 482 C ALA A 32 -3.226 -1.525 -3.038 1.00 0.00 C ATOM 483 O ALA A 32 -2.893 -0.416 -2.627 1.00 0.00 O ATOM 484 CB ALA A 32 -1.868 -2.819 -1.367 1.00 0.00 C ATOM 0 H ALA A 32 -0.621 -1.843 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.910 -3.646 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.733 -2.874 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.251 -3.708 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.283 -1.931 -1.126 1.00 0.00 H new ATOM 490 N ARG A 33 -4.333 -1.724 -3.731 1.00 0.00 N ATOM 491 CA ARG A 33 -5.214 -0.621 -4.077 1.00 0.00 C ATOM 492 C ARG A 33 -6.493 -0.651 -3.253 1.00 0.00 C ATOM 493 O ARG A 33 -7.298 -1.577 -3.365 1.00 0.00 O ATOM 494 CB ARG A 33 -5.544 -0.636 -5.575 1.00 0.00 C ATOM 495 CG ARG A 33 -5.833 -2.022 -6.126 1.00 0.00 C ATOM 496 CD ARG A 33 -6.296 -1.963 -7.570 1.00 0.00 C ATOM 497 NE ARG A 33 -6.308 -3.284 -8.193 1.00 0.00 N ATOM 498 CZ ARG A 33 -7.376 -4.079 -8.249 1.00 0.00 C ATOM 499 NH1 ARG A 33 -8.530 -3.692 -7.717 1.00 0.00 N ATOM 500 NH2 ARG A 33 -7.289 -5.260 -8.849 1.00 0.00 N ATOM 0 H ARG A 33 -4.643 -2.636 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.686 0.304 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.409 0.003 -5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.709 -0.203 -6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.936 -2.637 -6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.598 -2.504 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.296 -1.532 -7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.639 -1.301 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.441 -3.620 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.602 -2.782 -7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.344 -4.305 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.406 -5.557 -9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.105 -5.871 -8.893 1.00 0.00 H new ATOM 514 N ILE A 34 -6.669 0.363 -2.419 1.00 0.00 N ATOM 515 CA ILE A 34 -7.876 0.488 -1.618 1.00 0.00 C ATOM 516 C ILE A 34 -8.834 1.473 -2.271 1.00 0.00 C ATOM 517 O ILE A 34 -8.490 2.634 -2.492 1.00 0.00 O ATOM 518 CB ILE A 34 -7.575 0.931 -0.167 1.00 0.00 C ATOM 519 CG1 ILE A 34 -6.805 -0.166 0.571 1.00 0.00 C ATOM 520 CG2 ILE A 34 -8.864 1.264 0.577 1.00 0.00 C ATOM 521 CD1 ILE A 34 -6.554 0.146 2.034 1.00 0.00 C ATOM 0 H ILE A 34 -5.990 1.112 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.336 -0.499 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.960 1.830 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.361 -1.100 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.849 -0.325 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.627 1.573 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.382 2.074 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.506 0.383 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.004 -0.676 2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.971 1.063 2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.507 0.275 2.547 1.00 0.00 H new ATOM 533 N GLU A 35 -10.016 0.977 -2.614 1.00 0.00 N ATOM 534 CA GLU A 35 -11.061 1.780 -3.255 1.00 0.00 C ATOM 535 C GLU A 35 -10.594 2.303 -4.613 1.00 0.00 C ATOM 536 O GLU A 35 -11.077 3.326 -5.103 1.00 0.00 O ATOM 537 CB GLU A 35 -11.485 2.940 -2.347 1.00 0.00 C ATOM 538 CG GLU A 35 -11.980 2.483 -0.986 1.00 0.00 C ATOM 539 CD GLU A 35 -12.669 3.582 -0.210 1.00 0.00 C ATOM 540 OE1 GLU A 35 -11.981 4.344 0.497 1.00 0.00 O ATOM 541 OE2 GLU A 35 -13.913 3.672 -0.290 1.00 0.00 O ATOM 0 H GLU A 35 -10.282 0.005 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.926 1.138 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.640 3.615 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.272 3.510 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.671 1.650 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.137 2.109 -0.405 1.00 0.00 H new ATOM 548 N GLY A 36 -9.660 1.581 -5.224 1.00 0.00 N ATOM 549 CA GLY A 36 -9.143 1.969 -6.520 1.00 0.00 C ATOM 550 C GLY A 36 -7.851 2.748 -6.410 1.00 0.00 C ATOM 551 O GLY A 36 -7.086 2.835 -7.372 1.00 0.00 O ATOM 0 H GLY A 36 -9.251 0.729 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.977 1.078 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.886 2.573 -7.040 1.00 0.00 H new ATOM 555 N PHE A 37 -7.603 3.304 -5.234 1.00 0.00 N ATOM 556 CA PHE A 37 -6.408 4.093 -4.994 1.00 0.00 C ATOM 557 C PHE A 37 -5.187 3.181 -4.933 1.00 0.00 C ATOM 558 O PHE A 37 -5.025 2.408 -3.986 1.00 0.00 O ATOM 559 CB PHE A 37 -6.563 4.879 -3.692 1.00 0.00 C ATOM 560 CG PHE A 37 -5.463 5.861 -3.431 1.00 0.00 C ATOM 561 CD1 PHE A 37 -5.315 6.978 -4.233 1.00 0.00 C ATOM 562 CD2 PHE A 37 -4.592 5.680 -2.370 1.00 0.00 C ATOM 563 CE1 PHE A 37 -4.316 7.896 -3.985 1.00 0.00 C ATOM 564 CE2 PHE A 37 -3.590 6.593 -2.117 1.00 0.00 C ATOM 565 CZ PHE A 37 -3.452 7.704 -2.923 1.00 0.00 C ATOM 0 H PHE A 37 -8.220 3.221 -4.426 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.268 4.799 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.513 5.413 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.612 4.176 -2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.989 7.133 -5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.699 4.814 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.209 8.763 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.914 6.438 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.670 8.422 -2.725 1.00 0.00 H new ATOM 575 N VAL A 38 -4.349 3.256 -5.959 1.00 0.00 N ATOM 576 CA VAL A 38 -3.197 2.373 -6.081 1.00 0.00 C ATOM 577 C VAL A 38 -2.070 2.790 -5.141 1.00 0.00 C ATOM 578 O VAL A 38 -1.611 3.928 -5.167 1.00 0.00 O ATOM 579 CB VAL A 38 -2.664 2.345 -7.532 1.00 0.00 C ATOM 580 CG1 VAL A 38 -1.487 1.390 -7.667 1.00 0.00 C ATOM 581 CG2 VAL A 38 -3.769 1.971 -8.508 1.00 0.00 C ATOM 0 H VAL A 38 -4.447 3.924 -6.723 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.536 1.375 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.315 3.348 -7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.134 1.392 -8.698 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.681 1.710 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.802 0.383 -7.393 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.370 1.958 -9.522 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.156 0.983 -8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.574 2.703 -8.444 1.00 0.00 H new ATOM 591 N ILE A 39 -1.637 1.865 -4.304 1.00 0.00 N ATOM 592 CA ILE A 39 -0.526 2.113 -3.410 1.00 0.00 C ATOM 593 C ILE A 39 0.611 1.143 -3.714 1.00 0.00 C ATOM 594 O ILE A 39 0.392 -0.068 -3.827 1.00 0.00 O ATOM 595 CB ILE A 39 -0.968 1.983 -1.940 1.00 0.00 C ATOM 596 CG1 ILE A 39 -2.147 2.923 -1.678 1.00 0.00 C ATOM 597 CG2 ILE A 39 0.193 2.284 -1.001 1.00 0.00 C ATOM 598 CD1 ILE A 39 -2.729 2.798 -0.294 1.00 0.00 C ATOM 0 H ILE A 39 -2.041 0.932 -4.226 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.173 3.132 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.287 0.958 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.821 3.951 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.929 2.722 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.140 2.187 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.004 1.581 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.547 3.300 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.560 3.495 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.087 1.780 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.962 3.028 0.445 1.00 0.00 H new ATOM 610 N PHE A 40 1.809 1.684 -3.874 1.00 0.00 N ATOM 611 CA PHE A 40 2.978 0.885 -4.211 1.00 0.00 C ATOM 612 C PHE A 40 3.713 0.450 -2.954 1.00 0.00 C ATOM 613 O PHE A 40 4.083 1.280 -2.122 1.00 0.00 O ATOM 614 CB PHE A 40 3.932 1.681 -5.109 1.00 0.00 C ATOM 615 CG PHE A 40 3.404 1.941 -6.494 1.00 0.00 C ATOM 616 CD1 PHE A 40 2.502 2.967 -6.732 1.00 0.00 C ATOM 617 CD2 PHE A 40 3.821 1.161 -7.561 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.026 3.208 -8.008 1.00 0.00 C ATOM 619 CE2 PHE A 40 3.347 1.395 -8.838 1.00 0.00 C ATOM 620 CZ PHE A 40 2.449 2.420 -9.062 1.00 0.00 C ATOM 0 H PHE A 40 1.998 2.681 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 40 2.635 -0.000 -4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.151 2.636 -4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.875 1.140 -5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.167 3.585 -5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.525 0.360 -7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.325 4.011 -8.181 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.678 0.777 -9.660 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.078 2.606 -10.059 1.00 0.00 H new ATOM 630 N VAL A 41 3.907 -0.853 -2.815 1.00 0.00 N ATOM 631 CA VAL A 41 4.686 -1.392 -1.712 1.00 0.00 C ATOM 632 C VAL A 41 5.993 -1.977 -2.239 1.00 0.00 C ATOM 633 O VAL A 41 5.992 -3.008 -2.916 1.00 0.00 O ATOM 634 CB VAL A 41 3.912 -2.479 -0.934 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.701 -2.928 0.288 1.00 0.00 C ATOM 636 CG2 VAL A 41 2.530 -1.977 -0.532 1.00 0.00 C ATOM 0 H VAL A 41 3.535 -1.557 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 41 4.892 -0.572 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 41 3.781 -3.339 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.139 -3.694 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.661 -3.337 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.869 -2.075 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.003 -2.759 0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.633 -1.097 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.964 -1.715 -1.426 1.00 0.00 H new ATOM 646 N PRO A 42 7.119 -1.311 -1.951 1.00 0.00 N ATOM 647 CA PRO A 42 8.433 -1.707 -2.465 1.00 0.00 C ATOM 648 C PRO A 42 8.817 -3.141 -2.096 1.00 0.00 C ATOM 649 O PRO A 42 8.905 -3.488 -0.917 1.00 0.00 O ATOM 650 CB PRO A 42 9.404 -0.712 -1.814 1.00 0.00 C ATOM 651 CG PRO A 42 8.644 -0.088 -0.691 1.00 0.00 C ATOM 652 CD PRO A 42 7.203 -0.113 -1.102 1.00 0.00 C ATOM 0 HA PRO A 42 8.447 -1.687 -3.555 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.298 -1.218 -1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.733 0.040 -2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.795 -0.641 0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.981 0.933 -0.512 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.539 -0.182 -0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.924 0.788 -1.648 1.00 0.00 H new ATOM 660 N GLY A 43 9.029 -3.962 -3.122 1.00 0.00 N ATOM 661 CA GLY A 43 9.502 -5.326 -2.932 1.00 0.00 C ATOM 662 C GLY A 43 8.534 -6.211 -2.165 1.00 0.00 C ATOM 663 O GLY A 43 8.771 -6.530 -1.000 1.00 0.00 O ATOM 0 H GLY A 43 8.879 -3.702 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.693 -5.773 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.454 -5.300 -2.401 1.00 0.00 H new ATOM 667 N THR A 44 7.454 -6.618 -2.816 1.00 0.00 N ATOM 668 CA THR A 44 6.489 -7.525 -2.207 1.00 0.00 C ATOM 669 C THR A 44 5.935 -8.503 -3.238 1.00 0.00 C ATOM 670 O THR A 44 6.042 -8.276 -4.444 1.00 0.00 O ATOM 671 CB THR A 44 5.330 -6.765 -1.535 1.00 0.00 C ATOM 672 OG1 THR A 44 5.009 -5.594 -2.289 1.00 0.00 O ATOM 673 CG2 THR A 44 5.680 -6.385 -0.104 1.00 0.00 C ATOM 0 H THR A 44 7.223 -6.334 -3.768 1.00 0.00 H new ATOM 0 HA THR A 44 7.021 -8.082 -1.436 1.00 0.00 H new ATOM 0 HB THR A 44 4.462 -7.424 -1.508 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.708 -4.919 -2.159 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.843 -5.850 0.345 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.885 -7.287 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.563 -5.745 -0.103 1.00 0.00 H new ATOM 681 N LYS A 45 5.357 -9.596 -2.754 1.00 0.00 N ATOM 682 CA LYS A 45 4.840 -10.646 -3.619 1.00 0.00 C ATOM 683 C LYS A 45 3.342 -10.828 -3.384 1.00 0.00 C ATOM 684 O LYS A 45 2.848 -10.550 -2.291 1.00 0.00 O ATOM 685 CB LYS A 45 5.583 -11.952 -3.317 1.00 0.00 C ATOM 686 CG LYS A 45 5.482 -12.999 -4.409 1.00 0.00 C ATOM 687 CD LYS A 45 6.220 -12.562 -5.663 1.00 0.00 C ATOM 688 CE LYS A 45 6.396 -13.719 -6.628 1.00 0.00 C ATOM 689 NZ LYS A 45 7.132 -14.844 -5.996 1.00 0.00 N ATOM 0 H LYS A 45 5.235 -9.778 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 45 4.995 -10.370 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.635 -11.725 -3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.191 -12.372 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.896 -13.942 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.434 -13.180 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.668 -11.759 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.196 -12.160 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.419 -14.065 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.936 -13.379 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.587 -15.419 -6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.858 -14.467 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.467 -15.435 -5.458 1.00 0.00 H new ATOM 703 N VAL A 46 2.615 -11.279 -4.402 1.00 0.00 N ATOM 704 CA VAL A 46 1.188 -11.549 -4.244 1.00 0.00 C ATOM 705 C VAL A 46 0.978 -12.610 -3.171 1.00 0.00 C ATOM 706 O VAL A 46 1.570 -13.687 -3.224 1.00 0.00 O ATOM 707 CB VAL A 46 0.520 -12.014 -5.558 1.00 0.00 C ATOM 708 CG1 VAL A 46 -0.961 -12.307 -5.351 1.00 0.00 C ATOM 709 CG2 VAL A 46 0.694 -10.972 -6.643 1.00 0.00 C ATOM 0 H VAL A 46 2.984 -11.464 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 46 0.718 -10.610 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 46 1.011 -12.936 -5.870 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.403 -12.632 -6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.075 -13.094 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.466 -11.405 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.217 -11.318 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.234 -10.036 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.756 -10.811 -6.826 1.00 0.00 H new ATOM 719 N GLY A 47 0.151 -12.294 -2.192 1.00 0.00 N ATOM 720 CA GLY A 47 -0.072 -13.207 -1.093 1.00 0.00 C ATOM 721 C GLY A 47 0.663 -12.776 0.156 1.00 0.00 C ATOM 722 O GLY A 47 0.525 -13.394 1.211 1.00 0.00 O ATOM 0 H GLY A 47 -0.372 -11.420 -2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.140 -13.268 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.254 -14.207 -1.380 1.00 0.00 H new ATOM 726 N ASP A 48 1.463 -11.721 0.037 1.00 0.00 N ATOM 727 CA ASP A 48 2.137 -11.150 1.195 1.00 0.00 C ATOM 728 C ASP A 48 1.141 -10.447 2.100 1.00 0.00 C ATOM 729 O ASP A 48 0.606 -9.392 1.754 1.00 0.00 O ATOM 730 CB ASP A 48 3.234 -10.162 0.785 1.00 0.00 C ATOM 731 CG ASP A 48 4.607 -10.798 0.698 1.00 0.00 C ATOM 732 OD1 ASP A 48 4.864 -11.772 1.436 1.00 0.00 O ATOM 733 OD2 ASP A 48 5.440 -10.321 -0.100 1.00 0.00 O ATOM 0 H ASP A 48 1.659 -11.247 -0.845 1.00 0.00 H new ATOM 0 HA ASP A 48 2.602 -11.976 1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.980 -9.727 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.264 -9.344 1.504 1.00 0.00 H new ATOM 738 N GLU A 49 0.870 -11.055 3.241 1.00 0.00 N ATOM 739 CA GLU A 49 0.053 -10.428 4.264 1.00 0.00 C ATOM 740 C GLU A 49 0.958 -9.599 5.163 1.00 0.00 C ATOM 741 O GLU A 49 1.591 -10.132 6.077 1.00 0.00 O ATOM 742 CB GLU A 49 -0.690 -11.487 5.079 1.00 0.00 C ATOM 743 CG GLU A 49 -1.543 -12.420 4.235 1.00 0.00 C ATOM 744 CD GLU A 49 -2.294 -13.436 5.066 1.00 0.00 C ATOM 745 OE1 GLU A 49 -1.712 -14.490 5.399 1.00 0.00 O ATOM 746 OE2 GLU A 49 -3.478 -13.193 5.385 1.00 0.00 O ATOM 0 H GLU A 49 1.206 -11.987 3.483 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.693 -9.784 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.036 -12.078 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.326 -10.989 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.255 -11.831 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.906 -12.941 3.520 1.00 0.00 H new ATOM 753 N VAL A 50 1.051 -8.307 4.884 1.00 0.00 N ATOM 754 CA VAL A 50 2.054 -7.468 5.532 1.00 0.00 C ATOM 755 C VAL A 50 1.489 -6.143 6.027 1.00 0.00 C ATOM 756 O VAL A 50 0.568 -5.582 5.437 1.00 0.00 O ATOM 757 CB VAL A 50 3.244 -7.181 4.586 1.00 0.00 C ATOM 758 CG1 VAL A 50 4.039 -8.448 4.314 1.00 0.00 C ATOM 759 CG2 VAL A 50 2.761 -6.567 3.278 1.00 0.00 C ATOM 0 H VAL A 50 0.451 -7.818 4.220 1.00 0.00 H new ATOM 0 HA VAL A 50 2.396 -8.037 6.397 1.00 0.00 H new ATOM 0 HB VAL A 50 3.899 -6.465 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.870 -8.220 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.426 -8.843 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.392 -9.190 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.615 -6.374 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.078 -7.257 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.244 -5.630 3.485 1.00 0.00 H new ATOM 769 N ARG A 51 2.058 -5.661 7.124 1.00 0.00 N ATOM 770 CA ARG A 51 1.719 -4.355 7.670 1.00 0.00 C ATOM 771 C ARG A 51 2.434 -3.276 6.886 1.00 0.00 C ATOM 772 O ARG A 51 3.666 -3.262 6.836 1.00 0.00 O ATOM 773 CB ARG A 51 2.164 -4.253 9.122 1.00 0.00 C ATOM 774 CG ARG A 51 1.054 -3.934 10.102 1.00 0.00 C ATOM 775 CD ARG A 51 1.603 -3.195 11.314 1.00 0.00 C ATOM 776 NE ARG A 51 2.893 -3.731 11.747 1.00 0.00 N ATOM 777 CZ ARG A 51 3.689 -3.149 12.646 1.00 0.00 C ATOM 778 NH1 ARG A 51 3.287 -2.061 13.298 1.00 0.00 N ATOM 779 NH2 ARG A 51 4.876 -3.675 12.909 1.00 0.00 N ATOM 0 H ARG A 51 2.766 -6.164 7.659 1.00 0.00 H new ATOM 0 HA ARG A 51 0.638 -4.228 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.628 -5.196 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.931 -3.483 9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.294 -3.326 9.612 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.568 -4.856 10.421 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.712 -2.137 11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.889 -3.264 12.134 1.00 0.00 H new ATOM 0 HE ARG A 51 3.206 -4.610 11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.365 -1.667 13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.901 -1.621 13.984 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.178 -4.521 12.425 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.488 -3.234 13.595 1.00 0.00 H new ATOM 793 N ILE A 52 1.687 -2.377 6.284 1.00 0.00 N ATOM 794 CA ILE A 52 2.299 -1.296 5.539 1.00 0.00 C ATOM 795 C ILE A 52 1.957 0.041 6.164 1.00 0.00 C ATOM 796 O ILE A 52 0.846 0.242 6.665 1.00 0.00 O ATOM 797 CB ILE A 52 1.895 -1.318 4.045 1.00 0.00 C ATOM 798 CG1 ILE A 52 0.372 -1.285 3.870 1.00 0.00 C ATOM 799 CG2 ILE A 52 2.479 -2.546 3.363 1.00 0.00 C ATOM 800 CD1 ILE A 52 -0.197 0.108 3.735 1.00 0.00 C ATOM 0 H ILE A 52 0.667 -2.371 6.294 1.00 0.00 H new ATOM 0 HA ILE A 52 3.378 -1.441 5.585 1.00 0.00 H new ATOM 0 HB ILE A 52 2.300 -0.421 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.105 -1.864 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.093 -1.776 4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.189 -2.551 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.566 -2.522 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.101 -3.446 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.279 0.049 3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.038 0.685 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.239 0.596 2.863 1.00 0.00 H new ATOM 812 N LYS A 53 2.926 0.937 6.183 1.00 0.00 N ATOM 813 CA LYS A 53 2.670 2.291 6.614 1.00 0.00 C ATOM 814 C LYS A 53 2.548 3.189 5.403 1.00 0.00 C ATOM 815 O LYS A 53 3.509 3.373 4.655 1.00 0.00 O ATOM 816 CB LYS A 53 3.764 2.838 7.535 1.00 0.00 C ATOM 817 CG LYS A 53 3.403 4.208 8.101 1.00 0.00 C ATOM 818 CD LYS A 53 4.576 4.905 8.766 1.00 0.00 C ATOM 819 CE LYS A 53 4.132 6.193 9.437 1.00 0.00 C ATOM 820 NZ LYS A 53 5.281 6.975 9.963 1.00 0.00 N ATOM 0 H LYS A 53 3.890 0.750 5.906 1.00 0.00 H new ATOM 0 HA LYS A 53 1.741 2.276 7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.930 2.139 8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.701 2.910 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.022 4.838 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.597 4.094 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.027 4.242 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.343 5.123 8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.577 6.801 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.449 5.959 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.932 7.845 10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.796 6.406 10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.920 7.222 9.181 1.00 0.00 H new ATOM 834 N VAL A 54 1.360 3.728 5.210 1.00 0.00 N ATOM 835 CA VAL A 54 1.121 4.707 4.173 1.00 0.00 C ATOM 836 C VAL A 54 1.838 5.992 4.546 1.00 0.00 C ATOM 837 O VAL A 54 1.358 6.758 5.377 1.00 0.00 O ATOM 838 CB VAL A 54 -0.392 4.945 4.000 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.690 6.167 3.157 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.036 3.727 3.379 1.00 0.00 C ATOM 0 H VAL A 54 0.537 3.499 5.767 1.00 0.00 H new ATOM 0 HA VAL A 54 1.506 4.344 3.220 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.808 5.123 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.769 6.291 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.262 7.050 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.253 6.041 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.105 3.902 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.588 3.536 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.880 2.863 4.025 1.00 0.00 H new ATOM 850 N GLU A 55 3.008 6.193 3.959 1.00 0.00 N ATOM 851 CA GLU A 55 3.911 7.250 4.385 1.00 0.00 C ATOM 852 C GLU A 55 3.633 8.565 3.667 1.00 0.00 C ATOM 853 O GLU A 55 3.732 9.638 4.264 1.00 0.00 O ATOM 854 CB GLU A 55 5.358 6.823 4.140 1.00 0.00 C ATOM 855 CG GLU A 55 5.784 5.600 4.933 1.00 0.00 C ATOM 856 CD GLU A 55 7.265 5.314 4.806 1.00 0.00 C ATOM 857 OE1 GLU A 55 7.689 4.800 3.753 1.00 0.00 O ATOM 858 OE2 GLU A 55 8.017 5.612 5.761 1.00 0.00 O ATOM 0 H GLU A 55 3.356 5.633 3.181 1.00 0.00 H new ATOM 0 HA GLU A 55 3.746 7.415 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.491 6.619 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.018 7.653 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.534 5.747 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.219 4.733 4.590 1.00 0.00 H new ATOM 865 N ARG A 56 3.290 8.482 2.393 1.00 0.00 N ATOM 866 CA ARG A 56 3.108 9.678 1.578 1.00 0.00 C ATOM 867 C ARG A 56 2.079 9.399 0.496 1.00 0.00 C ATOM 868 O ARG A 56 2.162 8.379 -0.193 1.00 0.00 O ATOM 869 CB ARG A 56 4.450 10.077 0.949 1.00 0.00 C ATOM 870 CG ARG A 56 4.688 11.579 0.838 1.00 0.00 C ATOM 871 CD ARG A 56 3.782 12.249 -0.183 1.00 0.00 C ATOM 872 NE ARG A 56 4.279 13.576 -0.553 1.00 0.00 N ATOM 873 CZ ARG A 56 3.558 14.506 -1.183 1.00 0.00 C ATOM 874 NH1 ARG A 56 2.271 14.303 -1.442 1.00 0.00 N ATOM 875 NH2 ARG A 56 4.129 15.648 -1.543 1.00 0.00 N ATOM 0 H ARG A 56 3.132 7.604 1.899 1.00 0.00 H new ATOM 0 HA ARG A 56 2.753 10.499 2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.255 9.639 1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.511 9.640 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.530 12.040 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.728 11.758 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.711 11.624 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.775 12.337 0.225 1.00 0.00 H new ATOM 0 HE ARG A 56 5.243 13.806 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.825 13.430 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.729 15.020 -1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.115 15.812 -1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.582 16.362 -2.025 1.00 0.00 H new ATOM 889 N VAL A 57 1.105 10.286 0.350 1.00 0.00 N ATOM 890 CA VAL A 57 0.051 10.080 -0.630 1.00 0.00 C ATOM 891 C VAL A 57 0.122 11.104 -1.756 1.00 0.00 C ATOM 892 O VAL A 57 0.426 12.277 -1.533 1.00 0.00 O ATOM 893 CB VAL A 57 -1.358 10.123 0.011 1.00 0.00 C ATOM 894 CG1 VAL A 57 -1.483 9.068 1.096 1.00 0.00 C ATOM 895 CG2 VAL A 57 -1.670 11.503 0.573 1.00 0.00 C ATOM 0 H VAL A 57 1.023 11.146 0.892 1.00 0.00 H new ATOM 0 HA VAL A 57 0.215 9.085 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.086 9.908 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.480 9.114 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.322 8.081 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.737 9.252 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.666 11.499 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.935 11.760 1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.633 12.240 -0.230 1.00 0.00 H new ATOM 905 N LEU A 58 -0.106 10.629 -2.968 1.00 0.00 N ATOM 906 CA LEU A 58 -0.273 11.485 -4.130 1.00 0.00 C ATOM 907 C LEU A 58 -1.675 11.254 -4.681 1.00 0.00 C ATOM 908 O LEU A 58 -2.242 10.184 -4.470 1.00 0.00 O ATOM 909 CB LEU A 58 0.779 11.173 -5.216 1.00 0.00 C ATOM 910 CG LEU A 58 2.211 11.662 -4.951 1.00 0.00 C ATOM 911 CD1 LEU A 58 2.223 13.150 -4.644 1.00 0.00 C ATOM 912 CD2 LEU A 58 2.867 10.872 -3.826 1.00 0.00 C ATOM 0 H LEU A 58 -0.181 9.633 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.137 12.526 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.810 10.093 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.439 11.610 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 58 2.793 11.494 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.247 13.475 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.815 13.700 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.616 13.344 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.879 11.243 -3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.286 10.990 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.906 9.817 -4.097 1.00 0.00 H new ATOM 924 N PRO A 59 -2.260 12.236 -5.381 1.00 0.00 N ATOM 925 CA PRO A 59 -3.635 12.131 -5.901 1.00 0.00 C ATOM 926 C PRO A 59 -3.862 10.908 -6.797 1.00 0.00 C ATOM 927 O PRO A 59 -5.001 10.490 -7.008 1.00 0.00 O ATOM 928 CB PRO A 59 -3.807 13.416 -6.713 1.00 0.00 C ATOM 929 CG PRO A 59 -2.825 14.370 -6.131 1.00 0.00 C ATOM 930 CD PRO A 59 -1.651 13.538 -5.702 1.00 0.00 C ATOM 0 HA PRO A 59 -4.352 12.010 -5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.611 13.244 -7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.824 13.799 -6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.526 15.119 -6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.255 14.906 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.908 13.450 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.146 13.970 -4.838 1.00 0.00 H new ATOM 938 N LYS A 60 -2.784 10.336 -7.324 1.00 0.00 N ATOM 939 CA LYS A 60 -2.893 9.190 -8.218 1.00 0.00 C ATOM 940 C LYS A 60 -2.472 7.885 -7.541 1.00 0.00 C ATOM 941 O LYS A 60 -2.944 6.811 -7.919 1.00 0.00 O ATOM 942 CB LYS A 60 -2.043 9.405 -9.468 1.00 0.00 C ATOM 943 CG LYS A 60 -2.507 10.560 -10.337 1.00 0.00 C ATOM 944 CD LYS A 60 -1.620 10.712 -11.557 1.00 0.00 C ATOM 945 CE LYS A 60 -2.147 11.774 -12.504 1.00 0.00 C ATOM 946 NZ LYS A 60 -1.322 11.866 -13.735 1.00 0.00 N ATOM 0 H LYS A 60 -1.828 10.646 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.944 9.105 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.010 9.582 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.050 8.491 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.537 10.393 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.496 11.483 -9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.610 10.974 -11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.554 9.758 -12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.178 11.544 -12.773 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.157 12.740 -11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.711 12.601 -14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.344 12.110 -13.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.333 10.951 -14.229 1.00 0.00 H new ATOM 960 N PHE A 61 -1.607 7.976 -6.538 1.00 0.00 N ATOM 961 CA PHE A 61 -1.013 6.786 -5.931 1.00 0.00 C ATOM 962 C PHE A 61 -0.286 7.148 -4.643 1.00 0.00 C ATOM 963 O PHE A 61 0.007 8.314 -4.402 1.00 0.00 O ATOM 964 CB PHE A 61 -0.034 6.114 -6.908 1.00 0.00 C ATOM 965 CG PHE A 61 1.159 6.960 -7.268 1.00 0.00 C ATOM 966 CD1 PHE A 61 1.076 7.910 -8.275 1.00 0.00 C ATOM 967 CD2 PHE A 61 2.365 6.801 -6.604 1.00 0.00 C ATOM 968 CE1 PHE A 61 2.170 8.684 -8.609 1.00 0.00 C ATOM 969 CE2 PHE A 61 3.463 7.569 -6.935 1.00 0.00 C ATOM 970 CZ PHE A 61 3.366 8.514 -7.937 1.00 0.00 C ATOM 0 H PHE A 61 -1.300 8.858 -6.127 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.817 6.088 -5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.317 5.180 -6.468 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.570 5.855 -7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.145 8.046 -8.804 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.447 6.066 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.091 9.421 -9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.397 7.431 -6.411 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.223 9.119 -8.195 1.00 0.00 H new ATOM 980 N ALA A 62 0.013 6.155 -3.819 1.00 0.00 N ATOM 981 CA ALA A 62 0.682 6.410 -2.549 1.00 0.00 C ATOM 982 C ALA A 62 1.892 5.510 -2.359 1.00 0.00 C ATOM 983 O ALA A 62 2.017 4.466 -3.003 1.00 0.00 O ATOM 984 CB ALA A 62 -0.289 6.229 -1.393 1.00 0.00 C ATOM 0 H ALA A 62 -0.194 5.173 -4.003 1.00 0.00 H new ATOM 0 HA ALA A 62 1.033 7.442 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.226 6.423 -0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.120 6.926 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.670 5.208 -1.394 1.00 0.00 H new ATOM 990 N PHE A 63 2.784 5.942 -1.478 1.00 0.00 N ATOM 991 CA PHE A 63 3.944 5.157 -1.094 1.00 0.00 C ATOM 992 C PHE A 63 3.737 4.592 0.304 1.00 0.00 C ATOM 993 O PHE A 63 3.413 5.334 1.239 1.00 0.00 O ATOM 994 CB PHE A 63 5.214 6.014 -1.109 1.00 0.00 C ATOM 995 CG PHE A 63 5.591 6.544 -2.462 1.00 0.00 C ATOM 996 CD1 PHE A 63 6.235 5.732 -3.383 1.00 0.00 C ATOM 997 CD2 PHE A 63 5.314 7.858 -2.806 1.00 0.00 C ATOM 998 CE1 PHE A 63 6.597 6.222 -4.622 1.00 0.00 C ATOM 999 CE2 PHE A 63 5.672 8.352 -4.045 1.00 0.00 C ATOM 1000 CZ PHE A 63 6.314 7.534 -4.953 1.00 0.00 C ATOM 0 H PHE A 63 2.722 6.847 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 63 4.062 4.345 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.078 6.854 -0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.042 5.421 -0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.456 4.706 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.813 8.502 -2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.100 5.582 -5.331 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.450 9.377 -4.303 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.595 7.919 -5.922 1.00 0.00 H new ATOM 1010 N ALA A 64 3.911 3.290 0.448 1.00 0.00 N ATOM 1011 CA ALA A 64 3.760 2.647 1.740 1.00 0.00 C ATOM 1012 C ALA A 64 4.809 1.565 1.924 1.00 0.00 C ATOM 1013 O ALA A 64 4.953 0.681 1.083 1.00 0.00 O ATOM 1014 CB ALA A 64 2.365 2.059 1.877 1.00 0.00 C ATOM 0 H ALA A 64 4.157 2.658 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 64 3.900 3.398 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.266 1.580 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.625 2.854 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.202 1.321 1.091 1.00 0.00 H new ATOM 1020 N SER A 65 5.537 1.638 3.024 1.00 0.00 N ATOM 1021 CA SER A 65 6.582 0.670 3.298 1.00 0.00 C ATOM 1022 C SER A 65 6.086 -0.376 4.294 1.00 0.00 C ATOM 1023 O SER A 65 5.293 -0.070 5.187 1.00 0.00 O ATOM 1024 CB SER A 65 7.829 1.373 3.840 1.00 0.00 C ATOM 1025 OG SER A 65 8.943 0.494 3.871 1.00 0.00 O ATOM 0 H SER A 65 5.424 2.356 3.740 1.00 0.00 H new ATOM 0 HA SER A 65 6.844 0.167 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.062 2.237 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.631 1.748 4.844 1.00 0.00 H new ATOM 0 HG SER A 65 9.726 0.970 4.220 1.00 0.00 H new ATOM 1031 N VAL A 66 6.550 -1.607 4.137 1.00 0.00 N ATOM 1032 CA VAL A 66 6.148 -2.689 5.021 1.00 0.00 C ATOM 1033 C VAL A 66 6.974 -2.671 6.306 1.00 0.00 C ATOM 1034 O VAL A 66 8.194 -2.833 6.280 1.00 0.00 O ATOM 1035 CB VAL A 66 6.260 -4.069 4.323 1.00 0.00 C ATOM 1036 CG1 VAL A 66 7.645 -4.279 3.727 1.00 0.00 C ATOM 1037 CG2 VAL A 66 5.921 -5.195 5.288 1.00 0.00 C ATOM 0 H VAL A 66 7.206 -1.881 3.405 1.00 0.00 H new ATOM 0 HA VAL A 66 5.100 -2.531 5.277 1.00 0.00 H new ATOM 0 HB VAL A 66 5.537 -4.083 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.690 -5.256 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.846 -3.501 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.393 -4.230 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.007 -6.153 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.612 -5.172 6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.901 -5.068 5.651 1.00 0.00 H new ATOM 1047 N VAL A 67 6.300 -2.453 7.427 1.00 0.00 N ATOM 1048 CA VAL A 67 6.966 -2.419 8.726 1.00 0.00 C ATOM 1049 C VAL A 67 6.748 -3.725 9.474 1.00 0.00 C ATOM 1050 O VAL A 67 7.169 -3.880 10.617 1.00 0.00 O ATOM 1051 CB VAL A 67 6.483 -1.232 9.588 1.00 0.00 C ATOM 1052 CG1 VAL A 67 6.907 0.090 8.963 1.00 0.00 C ATOM 1053 CG2 VAL A 67 4.972 -1.278 9.769 1.00 0.00 C ATOM 0 H VAL A 67 5.293 -2.297 7.465 1.00 0.00 H new ATOM 0 HA VAL A 67 8.032 -2.286 8.539 1.00 0.00 H new ATOM 0 HB VAL A 67 6.947 -1.312 10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.558 0.915 9.584 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.994 0.126 8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.473 0.177 7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.653 -0.433 10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.487 -1.225 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.693 -2.208 10.263 1.00 0.00 H new ATOM 1063 N GLU A 68 6.098 -4.649 8.779 1.00 0.00 N ATOM 1064 CA GLU A 68 5.816 -6.000 9.274 1.00 0.00 C ATOM 1065 C GLU A 68 5.177 -5.989 10.665 1.00 0.00 C ATOM 1066 O GLU A 68 5.913 -5.997 11.671 1.00 0.00 O ATOM 1067 CB GLU A 68 7.093 -6.842 9.273 1.00 0.00 C ATOM 1068 CG GLU A 68 7.747 -6.921 7.906 1.00 0.00 C ATOM 1069 CD GLU A 68 8.944 -7.842 7.879 1.00 0.00 C ATOM 1070 OE1 GLU A 68 9.983 -7.491 8.475 1.00 0.00 O ATOM 1071 OE2 GLU A 68 8.857 -8.913 7.239 1.00 0.00 O ATOM 1072 OXT GLU A 68 3.933 -5.970 10.745 1.00 0.00 O ATOM 0 H GLU A 68 5.743 -4.483 7.837 1.00 0.00 H new ATOM 0 HA GLU A 68 5.091 -6.450 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.802 -6.419 9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.858 -7.849 9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.013 -7.266 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.057 -5.922 7.599 1.00 0.00 H new TER 1079 GLU A 68