USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 HIS : no HD1:sc= -1.49 K(o=-2.1,f=-2.7) USER MOD Set 1.2: A 10 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 1 GLU N :NH3+ -178:sc= -0.634 (180deg=-0.726) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00257 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.556 K(o=0.56,f=-0.66) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0653 K(o=-0.065,f=-0.65) USER MOD Single : A 37 SER OG : rot 49:sc= 0.884 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.841 USER MOD Single : A 42 CYS SG : rot -60:sc= -1.48! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.363 K(o=-0.36,f=-5!) USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.25) USER MOD Single : A 48 GLN :FLIP amide:sc= 0.078 F(o=-1.3,f=0.078) USER MOD Single : A 50 THR OG1 : rot -170:sc= -0.394 USER MOD Single : A 59 THR OG1 : rot -15:sc= -0.272 USER MOD Single : A 62 SER OG : rot -53:sc= -1.36! USER MOD Single : A 63 SER OG : rot -101:sc= 0.0418 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.297 -37.361 5.659 1.00 0.00 N ATOM 2 CA GLU A 1 2.549 -37.318 4.370 1.00 0.00 C ATOM 3 C GLU A 1 3.331 -36.485 3.360 1.00 0.00 C ATOM 4 O GLU A 1 2.849 -36.212 2.262 1.00 0.00 O ATOM 5 CB GLU A 1 1.171 -36.697 4.605 1.00 0.00 C ATOM 6 CG GLU A 1 0.376 -37.572 5.575 1.00 0.00 C ATOM 7 CD GLU A 1 -1.028 -37.005 5.755 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.270 -35.910 5.275 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.841 -37.675 6.371 1.00 0.00 O ATOM 0 H1 GLU A 1 2.783 -37.956 6.339 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.244 -37.759 5.498 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.386 -36.398 6.041 1.00 0.00 H new ATOM 0 HA GLU A 1 2.425 -38.328 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.278 -35.691 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 1 0.636 -36.605 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 1 0.320 -38.592 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.885 -37.618 6.538 1.00 0.00 H new ATOM 18 N SER A 2 4.538 -36.083 3.743 1.00 0.00 N ATOM 19 CA SER A 2 5.379 -35.279 2.863 1.00 0.00 C ATOM 20 C SER A 2 4.655 -34.003 2.446 1.00 0.00 C ATOM 21 O SER A 2 4.459 -33.750 1.257 1.00 0.00 O ATOM 22 CB SER A 2 5.750 -36.086 1.618 1.00 0.00 C ATOM 23 OG SER A 2 6.845 -35.461 0.963 1.00 0.00 O ATOM 0 H SER A 2 4.954 -36.298 4.649 1.00 0.00 H new ATOM 0 HA SER A 2 6.285 -35.008 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.012 -37.107 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.896 -36.149 0.944 1.00 0.00 H new ATOM 0 HG SER A 2 7.086 -35.976 0.165 1.00 0.00 H new ATOM 29 N PRO A 3 4.259 -33.199 3.397 1.00 0.00 N ATOM 30 CA PRO A 3 3.542 -31.922 3.122 1.00 0.00 C ATOM 31 C PRO A 3 4.464 -30.865 2.518 1.00 0.00 C ATOM 32 O PRO A 3 4.011 -29.810 2.077 1.00 0.00 O ATOM 33 CB PRO A 3 3.035 -31.483 4.498 1.00 0.00 C ATOM 34 CG PRO A 3 3.952 -32.127 5.483 1.00 0.00 C ATOM 35 CD PRO A 3 4.450 -33.423 4.838 1.00 0.00 C ATOM 0 HA PRO A 3 2.743 -32.051 2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.054 -30.398 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 3 2.004 -31.800 4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.787 -31.468 5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.431 -32.335 6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.497 -33.612 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.883 -34.286 5.187 1.00 0.00 H new ATOM 43 N LYS A 4 5.761 -31.159 2.506 1.00 0.00 N ATOM 44 CA LYS A 4 6.741 -30.228 1.958 1.00 0.00 C ATOM 45 C LYS A 4 6.687 -30.226 0.433 1.00 0.00 C ATOM 46 O LYS A 4 7.332 -29.402 -0.217 1.00 0.00 O ATOM 47 CB LYS A 4 8.148 -30.616 2.419 1.00 0.00 C ATOM 48 CG LYS A 4 8.153 -30.830 3.935 1.00 0.00 C ATOM 49 CD LYS A 4 7.779 -29.526 4.645 1.00 0.00 C ATOM 50 CE LYS A 4 8.285 -29.567 6.088 1.00 0.00 C ATOM 51 NZ LYS A 4 9.609 -28.889 6.170 1.00 0.00 N ATOM 0 H LYS A 4 6.155 -32.028 2.867 1.00 0.00 H new ATOM 0 HA LYS A 4 6.503 -29.228 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.469 -31.526 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.858 -29.834 2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.447 -31.616 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.138 -31.162 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.214 -28.676 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.698 -29.389 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.571 -29.075 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.372 -30.600 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.953 -28.917 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.288 -29.377 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.512 -27.899 5.865 1.00 0.00 H new ATOM 65 N GLU A 5 5.917 -31.148 -0.134 1.00 0.00 N ATOM 66 CA GLU A 5 5.793 -31.233 -1.584 1.00 0.00 C ATOM 67 C GLU A 5 5.274 -29.915 -2.148 1.00 0.00 C ATOM 68 O GLU A 5 5.703 -29.475 -3.215 1.00 0.00 O ATOM 69 CB GLU A 5 4.839 -32.366 -1.966 1.00 0.00 C ATOM 70 CG GLU A 5 5.491 -33.712 -1.645 1.00 0.00 C ATOM 71 CD GLU A 5 6.642 -33.979 -2.609 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.689 -33.326 -3.638 1.00 0.00 O ATOM 73 OE2 GLU A 5 7.458 -34.833 -2.304 1.00 0.00 O ATOM 0 H GLU A 5 5.374 -31.841 0.382 1.00 0.00 H new ATOM 0 HA GLU A 5 6.778 -31.437 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.901 -32.265 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.598 -32.311 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.858 -33.712 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.752 -34.510 -1.719 1.00 0.00 H new ATOM 80 N HIS A 6 4.355 -29.288 -1.417 1.00 0.00 N ATOM 81 CA HIS A 6 3.786 -28.014 -1.844 1.00 0.00 C ATOM 82 C HIS A 6 4.358 -26.874 -1.009 1.00 0.00 C ATOM 83 O HIS A 6 4.405 -26.953 0.219 1.00 0.00 O ATOM 84 CB HIS A 6 2.264 -28.040 -1.700 1.00 0.00 C ATOM 85 CG HIS A 6 1.883 -28.885 -0.517 1.00 0.00 C ATOM 86 ND1 HIS A 6 1.653 -30.247 -0.628 1.00 0.00 N ATOM 87 CD2 HIS A 6 1.684 -28.577 0.806 1.00 0.00 C ATOM 88 CE1 HIS A 6 1.330 -30.705 0.594 1.00 0.00 C ATOM 89 NE2 HIS A 6 1.334 -29.729 1.507 1.00 0.00 N ATOM 0 H HIS A 6 3.991 -29.640 -0.531 1.00 0.00 H new ATOM 0 HA HIS A 6 4.044 -27.855 -2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 6 1.883 -27.027 -1.573 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.810 -28.440 -2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 6 1.784 -27.592 1.238 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.096 -31.737 0.812 1.00 0.00 H new ATOM 0 HE2 HIS A 6 1.126 -29.810 2.502 1.00 0.00 H new ATOM 98 N ASP A 7 4.795 -25.818 -1.684 1.00 0.00 N ATOM 99 CA ASP A 7 5.369 -24.667 -1.000 1.00 0.00 C ATOM 100 C ASP A 7 4.307 -23.599 -0.730 1.00 0.00 C ATOM 101 O ASP A 7 4.266 -23.020 0.356 1.00 0.00 O ATOM 102 CB ASP A 7 6.495 -24.069 -1.846 1.00 0.00 C ATOM 103 CG ASP A 7 7.810 -24.123 -1.077 1.00 0.00 C ATOM 104 OD1 ASP A 7 8.389 -25.195 -1.007 1.00 0.00 O ATOM 105 OD2 ASP A 7 8.221 -23.092 -0.569 1.00 0.00 O ATOM 0 H ASP A 7 4.763 -25.735 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 7 5.767 -25.005 -0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.589 -24.619 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.258 -23.037 -2.105 1.00 0.00 H new ATOM 110 N PRO A 8 3.458 -23.322 -1.690 1.00 0.00 N ATOM 111 CA PRO A 8 2.389 -22.301 -1.551 1.00 0.00 C ATOM 112 C PRO A 8 1.117 -22.864 -0.921 1.00 0.00 C ATOM 113 O PRO A 8 0.549 -22.264 -0.009 1.00 0.00 O ATOM 114 CB PRO A 8 2.134 -21.860 -2.992 1.00 0.00 C ATOM 115 CG PRO A 8 2.558 -23.005 -3.863 1.00 0.00 C ATOM 116 CD PRO A 8 3.421 -23.951 -3.017 1.00 0.00 C ATOM 0 HA PRO A 8 2.686 -21.487 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.081 -21.623 -3.146 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.701 -20.960 -3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.686 -23.531 -4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.121 -22.642 -4.722 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.988 -24.950 -2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.422 -24.056 -3.435 1.00 0.00 H new ATOM 124 N PHE A 9 0.672 -24.015 -1.415 1.00 0.00 N ATOM 125 CA PHE A 9 -0.537 -24.642 -0.891 1.00 0.00 C ATOM 126 C PHE A 9 -0.428 -24.841 0.617 1.00 0.00 C ATOM 127 O PHE A 9 -1.424 -25.099 1.293 1.00 0.00 O ATOM 128 CB PHE A 9 -0.761 -25.993 -1.571 1.00 0.00 C ATOM 129 CG PHE A 9 -2.239 -26.207 -1.793 1.00 0.00 C ATOM 130 CD1 PHE A 9 -2.858 -25.687 -2.937 1.00 0.00 C ATOM 131 CD2 PHE A 9 -2.991 -26.928 -0.858 1.00 0.00 C ATOM 132 CE1 PHE A 9 -4.228 -25.887 -3.144 1.00 0.00 C ATOM 133 CE2 PHE A 9 -4.361 -27.128 -1.064 1.00 0.00 C ATOM 134 CZ PHE A 9 -4.980 -26.608 -2.208 1.00 0.00 C ATOM 0 H PHE A 9 1.125 -24.529 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.383 -23.986 -1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.231 -26.025 -2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.356 -26.794 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.278 -25.132 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.514 -27.330 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.705 -25.485 -4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.941 -27.683 -0.341 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.037 -26.763 -2.368 1.00 0.00 H new ATOM 144 N THR A 10 0.789 -24.722 1.137 1.00 0.00 N ATOM 145 CA THR A 10 1.019 -24.895 2.566 1.00 0.00 C ATOM 146 C THR A 10 0.204 -23.887 3.372 1.00 0.00 C ATOM 147 O THR A 10 -0.285 -24.203 4.456 1.00 0.00 O ATOM 148 CB THR A 10 2.507 -24.714 2.879 1.00 0.00 C ATOM 149 OG1 THR A 10 3.272 -25.568 2.038 1.00 0.00 O ATOM 150 CG2 THR A 10 2.772 -25.069 4.343 1.00 0.00 C ATOM 0 H THR A 10 1.626 -24.508 0.594 1.00 0.00 H new ATOM 0 HA THR A 10 0.705 -25.901 2.844 1.00 0.00 H new ATOM 0 HB THR A 10 2.791 -23.677 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.225 -25.453 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.832 -24.939 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.185 -24.415 4.988 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.488 -26.106 4.523 1.00 0.00 H new ATOM 158 N TYR A 11 0.068 -22.676 2.832 1.00 0.00 N ATOM 159 CA TYR A 11 -0.686 -21.618 3.503 1.00 0.00 C ATOM 160 C TYR A 11 -1.915 -21.229 2.689 1.00 0.00 C ATOM 161 O TYR A 11 -1.838 -21.056 1.474 1.00 0.00 O ATOM 162 CB TYR A 11 0.205 -20.389 3.692 1.00 0.00 C ATOM 163 CG TYR A 11 1.438 -20.774 4.472 1.00 0.00 C ATOM 164 CD1 TYR A 11 1.370 -20.920 5.862 1.00 0.00 C ATOM 165 CD2 TYR A 11 2.651 -20.984 3.805 1.00 0.00 C ATOM 166 CE1 TYR A 11 2.514 -21.276 6.586 1.00 0.00 C ATOM 167 CE2 TYR A 11 3.795 -21.340 4.529 1.00 0.00 C ATOM 168 CZ TYR A 11 3.727 -21.486 5.919 1.00 0.00 C ATOM 169 OH TYR A 11 4.854 -21.838 6.632 1.00 0.00 O ATOM 0 H TYR A 11 0.469 -22.404 1.934 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.012 -21.992 4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.489 -19.980 2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.342 -19.608 4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.434 -20.758 6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.704 -20.871 2.732 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.461 -21.389 7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.731 -21.502 4.014 1.00 0.00 H new ATOM 0 HH TYR A 11 5.609 -21.947 6.017 1.00 0.00 H new ATOM 179 N ASP A 12 -3.047 -21.083 3.371 1.00 0.00 N ATOM 180 CA ASP A 12 -4.287 -20.703 2.704 1.00 0.00 C ATOM 181 C ASP A 12 -4.424 -19.184 2.670 1.00 0.00 C ATOM 182 O ASP A 12 -5.406 -18.648 2.159 1.00 0.00 O ATOM 183 CB ASP A 12 -5.484 -21.311 3.440 1.00 0.00 C ATOM 184 CG ASP A 12 -6.755 -21.113 2.620 1.00 0.00 C ATOM 185 OD1 ASP A 12 -6.649 -20.619 1.510 1.00 0.00 O ATOM 186 OD2 ASP A 12 -7.815 -21.461 3.115 1.00 0.00 O ATOM 0 H ASP A 12 -3.131 -21.221 4.378 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.263 -21.080 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.314 -22.374 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.596 -20.844 4.418 1.00 0.00 H new ATOM 191 N TYR A 13 -3.424 -18.499 3.217 1.00 0.00 N ATOM 192 CA TYR A 13 -3.428 -17.040 3.246 1.00 0.00 C ATOM 193 C TYR A 13 -3.020 -16.482 1.886 1.00 0.00 C ATOM 194 O TYR A 13 -2.441 -15.401 1.797 1.00 0.00 O ATOM 195 CB TYR A 13 -2.448 -16.537 4.313 1.00 0.00 C ATOM 196 CG TYR A 13 -2.943 -16.924 5.689 1.00 0.00 C ATOM 197 CD1 TYR A 13 -2.932 -18.268 6.085 1.00 0.00 C ATOM 198 CD2 TYR A 13 -3.410 -15.940 6.570 1.00 0.00 C ATOM 199 CE1 TYR A 13 -3.389 -18.626 7.359 1.00 0.00 C ATOM 200 CE2 TYR A 13 -3.867 -16.299 7.844 1.00 0.00 C ATOM 201 CZ TYR A 13 -3.856 -17.642 8.238 1.00 0.00 C ATOM 202 OH TYR A 13 -4.305 -17.995 9.495 1.00 0.00 O ATOM 0 H TYR A 13 -2.604 -18.929 3.645 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.436 -16.701 3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.459 -16.961 4.140 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.347 -15.454 4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.571 -19.028 5.408 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.418 -14.904 6.266 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.381 -19.662 7.664 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.228 -15.540 8.522 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.593 -17.192 9.977 1.00 0.00 H new ATOM 212 N GLN A 14 -3.315 -17.231 0.829 1.00 0.00 N ATOM 213 CA GLN A 14 -2.955 -16.810 -0.521 1.00 0.00 C ATOM 214 C GLN A 14 -3.434 -15.387 -0.806 1.00 0.00 C ATOM 215 O GLN A 14 -2.658 -14.541 -1.249 1.00 0.00 O ATOM 216 CB GLN A 14 -3.575 -17.768 -1.540 1.00 0.00 C ATOM 217 CG GLN A 14 -3.026 -19.179 -1.319 1.00 0.00 C ATOM 218 CD GLN A 14 -1.558 -19.240 -1.728 1.00 0.00 C ATOM 219 OE1 GLN A 14 -1.179 -18.702 -2.768 1.00 0.00 O ATOM 220 NE2 GLN A 14 -0.704 -19.868 -0.967 1.00 0.00 N ATOM 0 H GLN A 14 -3.799 -18.127 0.879 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.868 -16.828 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.660 -17.769 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.349 -17.434 -2.553 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.131 -19.459 -0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.604 -19.898 -1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.020 -20.313 -0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.279 -19.914 -1.234 1.00 0.00 H new ATOM 229 N SER A 15 -4.713 -15.130 -0.561 1.00 0.00 N ATOM 230 CA SER A 15 -5.276 -13.806 -0.812 1.00 0.00 C ATOM 231 C SER A 15 -4.986 -12.846 0.341 1.00 0.00 C ATOM 232 O SER A 15 -4.829 -11.644 0.132 1.00 0.00 O ATOM 233 CB SER A 15 -6.788 -13.920 -1.013 1.00 0.00 C ATOM 234 OG SER A 15 -7.402 -14.273 0.220 1.00 0.00 O ATOM 0 H SER A 15 -5.376 -15.812 -0.192 1.00 0.00 H new ATOM 0 HA SER A 15 -4.808 -13.407 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.190 -12.974 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.010 -14.671 -1.771 1.00 0.00 H new ATOM 0 HG SER A 15 -8.371 -14.345 0.094 1.00 0.00 H new ATOM 240 N LEU A 16 -4.932 -13.381 1.555 1.00 0.00 N ATOM 241 CA LEU A 16 -4.680 -12.560 2.735 1.00 0.00 C ATOM 242 C LEU A 16 -3.187 -12.275 2.907 1.00 0.00 C ATOM 243 O LEU A 16 -2.788 -11.546 3.815 1.00 0.00 O ATOM 244 CB LEU A 16 -5.215 -13.271 3.979 1.00 0.00 C ATOM 245 CG LEU A 16 -5.704 -12.238 4.997 1.00 0.00 C ATOM 246 CD1 LEU A 16 -7.148 -11.846 4.678 1.00 0.00 C ATOM 247 CD2 LEU A 16 -5.640 -12.846 6.401 1.00 0.00 C ATOM 0 H LEU A 16 -5.058 -14.374 1.749 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.194 -11.608 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.031 -13.939 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.433 -13.888 4.421 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.071 -11.352 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.494 -11.110 5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.196 -11.418 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.784 -12.730 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.987 -12.114 7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.275 -13.731 6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.612 -13.126 6.630 1.00 0.00 H new ATOM 259 N GLN A 17 -2.364 -12.860 2.041 1.00 0.00 N ATOM 260 CA GLN A 17 -0.919 -12.660 2.126 1.00 0.00 C ATOM 261 C GLN A 17 -0.523 -11.266 1.647 1.00 0.00 C ATOM 262 O GLN A 17 0.265 -10.579 2.298 1.00 0.00 O ATOM 263 CB GLN A 17 -0.194 -13.710 1.281 1.00 0.00 C ATOM 264 CG GLN A 17 0.353 -14.819 2.184 1.00 0.00 C ATOM 265 CD GLN A 17 1.610 -14.336 2.899 1.00 0.00 C ATOM 266 OE1 GLN A 17 2.477 -13.715 2.281 1.00 0.00 O ATOM 267 NE2 GLN A 17 1.763 -14.587 4.170 1.00 0.00 N ATOM 0 H GLN A 17 -2.667 -13.469 1.281 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.630 -12.762 3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.878 -14.133 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.622 -13.244 0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.402 -15.110 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.580 -15.704 1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.044 -15.101 4.679 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.602 -14.269 4.655 1.00 0.00 H new ATOM 276 N ILE A 18 -1.056 -10.859 0.499 1.00 0.00 N ATOM 277 CA ILE A 18 -0.729 -9.550 -0.061 1.00 0.00 C ATOM 278 C ILE A 18 -1.816 -8.525 0.251 1.00 0.00 C ATOM 279 O ILE A 18 -1.764 -7.391 -0.224 1.00 0.00 O ATOM 280 CB ILE A 18 -0.555 -9.668 -1.577 1.00 0.00 C ATOM 281 CG1 ILE A 18 0.399 -8.575 -2.064 1.00 0.00 C ATOM 282 CG2 ILE A 18 -1.909 -9.509 -2.272 1.00 0.00 C ATOM 283 CD1 ILE A 18 0.347 -8.495 -3.591 1.00 0.00 C ATOM 0 H ILE A 18 -1.710 -11.410 -0.058 1.00 0.00 H new ATOM 0 HA ILE A 18 0.201 -9.209 0.394 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.144 -10.649 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.121 -7.615 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.415 -8.792 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.777 -9.594 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.589 -10.288 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.328 -8.531 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.026 -7.716 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.646 -9.453 -4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.668 -8.258 -3.909 1.00 0.00 H new ATOM 295 N GLY A 19 -2.802 -8.927 1.041 1.00 0.00 N ATOM 296 CA GLY A 19 -3.896 -8.026 1.391 1.00 0.00 C ATOM 297 C GLY A 19 -3.408 -6.862 2.252 1.00 0.00 C ATOM 298 O GLY A 19 -3.032 -5.810 1.736 1.00 0.00 O ATOM 0 H GLY A 19 -2.869 -9.860 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.356 -7.640 0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.667 -8.579 1.928 1.00 0.00 H new ATOM 302 N GLY A 20 -3.429 -7.062 3.567 1.00 0.00 N ATOM 303 CA GLY A 20 -2.998 -6.032 4.511 1.00 0.00 C ATOM 304 C GLY A 20 -1.802 -5.248 3.981 1.00 0.00 C ATOM 305 O GLY A 20 -1.623 -4.075 4.311 1.00 0.00 O ATOM 0 H GLY A 20 -3.740 -7.929 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.824 -5.348 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.737 -6.496 5.462 1.00 0.00 H new ATOM 309 N LEU A 21 -0.979 -5.902 3.173 1.00 0.00 N ATOM 310 CA LEU A 21 0.206 -5.254 2.625 1.00 0.00 C ATOM 311 C LEU A 21 -0.153 -4.197 1.579 1.00 0.00 C ATOM 312 O LEU A 21 0.328 -3.065 1.647 1.00 0.00 O ATOM 313 CB LEU A 21 1.122 -6.303 1.987 1.00 0.00 C ATOM 314 CG LEU A 21 2.154 -6.781 3.011 1.00 0.00 C ATOM 315 CD1 LEU A 21 1.440 -7.365 4.231 1.00 0.00 C ATOM 316 CD2 LEU A 21 3.035 -7.858 2.376 1.00 0.00 C ATOM 0 H LEU A 21 -1.107 -6.872 2.884 1.00 0.00 H new ATOM 0 HA LEU A 21 0.717 -4.755 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.531 -7.147 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.627 -5.879 1.119 1.00 0.00 H new ATOM 0 HG LEU A 21 2.770 -5.938 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.179 -7.704 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.810 -6.600 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.822 -8.208 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.771 -8.201 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.415 -8.698 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.548 -7.444 1.508 1.00 0.00 H new ATOM 328 N VAL A 22 -0.971 -4.572 0.601 1.00 0.00 N ATOM 329 CA VAL A 22 -1.340 -3.634 -0.457 1.00 0.00 C ATOM 330 C VAL A 22 -2.216 -2.496 0.060 1.00 0.00 C ATOM 331 O VAL A 22 -1.924 -1.329 -0.186 1.00 0.00 O ATOM 332 CB VAL A 22 -2.082 -4.375 -1.571 1.00 0.00 C ATOM 333 CG1 VAL A 22 -2.831 -3.364 -2.441 1.00 0.00 C ATOM 334 CG2 VAL A 22 -1.079 -5.145 -2.435 1.00 0.00 C ATOM 0 H VAL A 22 -1.385 -5.500 0.517 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.417 -3.198 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.791 -5.075 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.361 -3.890 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.547 -2.817 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.120 -2.664 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.611 -5.672 -3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.368 -4.447 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.544 -5.865 -1.816 1.00 0.00 H new ATOM 344 N ILE A 23 -3.286 -2.832 0.775 1.00 0.00 N ATOM 345 CA ILE A 23 -4.180 -1.802 1.299 1.00 0.00 C ATOM 346 C ILE A 23 -3.424 -0.849 2.215 1.00 0.00 C ATOM 347 O ILE A 23 -3.648 0.362 2.183 1.00 0.00 O ATOM 348 CB ILE A 23 -5.342 -2.445 2.059 1.00 0.00 C ATOM 349 CG1 ILE A 23 -4.797 -3.304 3.199 1.00 0.00 C ATOM 350 CG2 ILE A 23 -6.153 -3.326 1.107 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.943 -4.097 3.828 1.00 0.00 C ATOM 0 H ILE A 23 -3.553 -3.790 1.002 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.577 -1.234 0.458 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.981 -1.662 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.032 -3.984 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.321 -2.673 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.980 -3.783 1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.546 -2.717 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.512 -4.107 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.557 -4.711 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.692 -3.407 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.398 -4.739 3.074 1.00 0.00 H new ATOM 363 N ALA A 24 -2.524 -1.393 3.024 1.00 0.00 N ATOM 364 CA ALA A 24 -1.744 -0.566 3.932 1.00 0.00 C ATOM 365 C ALA A 24 -0.894 0.424 3.142 1.00 0.00 C ATOM 366 O ALA A 24 -0.712 1.572 3.552 1.00 0.00 O ATOM 367 CB ALA A 24 -0.839 -1.448 4.796 1.00 0.00 C ATOM 0 H ALA A 24 -2.318 -2.391 3.070 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.427 -0.013 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.259 -0.821 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.451 -2.139 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.162 -2.013 4.155 1.00 0.00 H new ATOM 373 N GLY A 25 -0.377 -0.032 2.005 1.00 0.00 N ATOM 374 CA GLY A 25 0.455 0.813 1.157 1.00 0.00 C ATOM 375 C GLY A 25 -0.318 2.026 0.646 1.00 0.00 C ATOM 376 O GLY A 25 0.215 3.135 0.609 1.00 0.00 O ATOM 0 H GLY A 25 -0.519 -0.978 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.328 1.146 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.823 0.232 0.311 1.00 0.00 H new ATOM 380 N ILE A 26 -1.571 1.816 0.242 1.00 0.00 N ATOM 381 CA ILE A 26 -2.377 2.921 -0.271 1.00 0.00 C ATOM 382 C ILE A 26 -2.628 3.966 0.814 1.00 0.00 C ATOM 383 O ILE A 26 -2.524 5.163 0.558 1.00 0.00 O ATOM 384 CB ILE A 26 -3.725 2.415 -0.804 1.00 0.00 C ATOM 385 CG1 ILE A 26 -3.528 1.184 -1.699 1.00 0.00 C ATOM 386 CG2 ILE A 26 -4.393 3.524 -1.620 1.00 0.00 C ATOM 387 CD1 ILE A 26 -2.362 1.406 -2.667 1.00 0.00 C ATOM 0 H ILE A 26 -2.041 0.911 0.259 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.817 3.379 -1.086 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.352 2.137 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.335 0.306 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.441 0.985 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.351 3.169 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.555 4.395 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.750 3.799 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.236 0.523 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.571 2.271 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.447 1.582 -2.101 1.00 0.00 H new ATOM 399 N LEU A 27 -2.969 3.519 2.019 1.00 0.00 N ATOM 400 CA LEU A 27 -3.242 4.452 3.111 1.00 0.00 C ATOM 401 C LEU A 27 -2.053 5.389 3.339 1.00 0.00 C ATOM 402 O LEU A 27 -2.219 6.604 3.453 1.00 0.00 O ATOM 403 CB LEU A 27 -3.539 3.674 4.400 1.00 0.00 C ATOM 404 CG LEU A 27 -4.049 4.630 5.490 1.00 0.00 C ATOM 405 CD1 LEU A 27 -5.404 5.231 5.096 1.00 0.00 C ATOM 406 CD2 LEU A 27 -4.208 3.861 6.803 1.00 0.00 C ATOM 0 H LEU A 27 -3.062 2.533 2.264 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.110 5.053 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.284 2.903 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.637 3.167 4.743 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.327 5.438 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.746 5.904 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.299 5.786 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.132 4.431 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.570 4.536 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.923 3.050 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.244 3.448 7.102 1.00 0.00 H new ATOM 418 N PHE A 28 -0.859 4.813 3.403 1.00 0.00 N ATOM 419 CA PHE A 28 0.357 5.588 3.614 1.00 0.00 C ATOM 420 C PHE A 28 0.713 6.405 2.376 1.00 0.00 C ATOM 421 O PHE A 28 1.049 7.574 2.484 1.00 0.00 O ATOM 422 CB PHE A 28 1.518 4.651 3.952 1.00 0.00 C ATOM 423 CG PHE A 28 1.528 4.377 5.437 1.00 0.00 C ATOM 424 CD1 PHE A 28 0.527 3.579 6.004 1.00 0.00 C ATOM 425 CD2 PHE A 28 2.534 4.919 6.245 1.00 0.00 C ATOM 426 CE1 PHE A 28 0.532 3.324 7.380 1.00 0.00 C ATOM 427 CE2 PHE A 28 2.539 4.663 7.621 1.00 0.00 C ATOM 428 CZ PHE A 28 1.538 3.866 8.188 1.00 0.00 C ATOM 0 H PHE A 28 -0.707 3.809 3.311 1.00 0.00 H new ATOM 0 HA PHE A 28 0.179 6.274 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.418 3.717 3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.463 5.101 3.648 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.249 3.160 5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.306 5.534 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.240 2.709 7.818 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.315 5.080 8.245 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.542 3.669 9.250 1.00 0.00 H new ATOM 438 N ILE A 29 0.634 5.785 1.203 1.00 0.00 N ATOM 439 CA ILE A 29 0.959 6.484 -0.040 1.00 0.00 C ATOM 440 C ILE A 29 0.063 7.702 -0.190 1.00 0.00 C ATOM 441 O ILE A 29 0.528 8.799 -0.495 1.00 0.00 O ATOM 442 CB ILE A 29 0.772 5.554 -1.239 1.00 0.00 C ATOM 443 CG1 ILE A 29 1.952 4.580 -1.323 1.00 0.00 C ATOM 444 CG2 ILE A 29 0.703 6.382 -2.521 1.00 0.00 C ATOM 445 CD1 ILE A 29 1.613 3.451 -2.298 1.00 0.00 C ATOM 0 H ILE A 29 0.352 4.812 1.085 1.00 0.00 H new ATOM 0 HA ILE A 29 2.001 6.801 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.154 4.992 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.848 5.105 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.170 4.170 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.570 5.719 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.138 7.073 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.628 6.946 -2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.452 2.758 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.728 2.920 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.417 3.869 -3.285 1.00 0.00 H new ATOM 457 N LEU A 30 -1.213 7.514 0.104 1.00 0.00 N ATOM 458 CA LEU A 30 -2.153 8.601 0.083 1.00 0.00 C ATOM 459 C LEU A 30 -1.705 9.519 1.179 1.00 0.00 C ATOM 460 O LEU A 30 -1.814 10.738 1.096 1.00 0.00 O ATOM 461 CB LEU A 30 -3.579 8.099 0.345 1.00 0.00 C ATOM 462 CG LEU A 30 -4.596 9.039 -0.312 1.00 0.00 C ATOM 463 CD1 LEU A 30 -4.728 8.702 -1.801 1.00 0.00 C ATOM 464 CD2 LEU A 30 -5.958 8.860 0.365 1.00 0.00 C ATOM 0 H LEU A 30 -1.614 6.612 0.360 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.178 9.099 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.696 7.090 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.763 8.044 1.418 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.258 10.069 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.452 9.373 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.760 8.821 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.066 7.672 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.685 9.527 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.288 7.827 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.872 9.098 1.425 1.00 0.00 H new ATOM 476 N GLY A 31 -1.192 8.879 2.222 1.00 0.00 N ATOM 477 CA GLY A 31 -0.701 9.610 3.388 1.00 0.00 C ATOM 478 C GLY A 31 0.389 10.620 3.007 1.00 0.00 C ATOM 479 O GLY A 31 0.296 11.796 3.356 1.00 0.00 O ATOM 0 H GLY A 31 -1.104 7.865 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.530 10.132 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.305 8.905 4.119 1.00 0.00 H new ATOM 483 N ILE A 32 1.422 10.159 2.298 1.00 0.00 N ATOM 484 CA ILE A 32 2.518 11.044 1.898 1.00 0.00 C ATOM 485 C ILE A 32 2.051 12.058 0.862 1.00 0.00 C ATOM 486 O ILE A 32 2.358 13.243 0.965 1.00 0.00 O ATOM 487 CB ILE A 32 3.680 10.227 1.309 1.00 0.00 C ATOM 488 CG1 ILE A 32 4.041 9.058 2.236 1.00 0.00 C ATOM 489 CG2 ILE A 32 4.905 11.125 1.137 1.00 0.00 C ATOM 490 CD1 ILE A 32 4.223 9.553 3.672 1.00 0.00 C ATOM 0 H ILE A 32 1.522 9.191 1.992 1.00 0.00 H new ATOM 0 HA ILE A 32 2.856 11.574 2.789 1.00 0.00 H new ATOM 0 HB ILE A 32 3.369 9.832 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.256 8.303 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.958 8.581 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.727 10.543 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.662 11.946 0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.201 11.527 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.479 8.712 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.024 10.291 3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.296 10.009 4.020 1.00 0.00 H new ATOM 502 N LEU A 33 1.299 11.598 -0.131 1.00 0.00 N ATOM 503 CA LEU A 33 0.801 12.501 -1.160 1.00 0.00 C ATOM 504 C LEU A 33 -0.047 13.585 -0.515 1.00 0.00 C ATOM 505 O LEU A 33 0.093 14.770 -0.821 1.00 0.00 O ATOM 506 CB LEU A 33 -0.038 11.727 -2.182 1.00 0.00 C ATOM 507 CG LEU A 33 0.851 10.748 -2.960 1.00 0.00 C ATOM 508 CD1 LEU A 33 -0.023 9.889 -3.873 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.876 11.513 -3.814 1.00 0.00 C ATOM 0 H LEU A 33 1.025 10.622 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 33 1.647 12.957 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.834 11.183 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.517 12.422 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 33 1.385 10.117 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.605 9.192 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.740 9.331 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.559 10.530 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.498 10.803 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.353 12.155 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.505 12.124 -3.167 1.00 0.00 H new ATOM 521 N ILE A 34 -0.927 13.164 0.384 1.00 0.00 N ATOM 522 CA ILE A 34 -1.807 14.102 1.080 1.00 0.00 C ATOM 523 C ILE A 34 -1.008 15.127 1.886 1.00 0.00 C ATOM 524 O ILE A 34 -1.326 16.317 1.872 1.00 0.00 O ATOM 525 CB ILE A 34 -2.745 13.351 2.033 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.902 12.735 1.239 1.00 0.00 C ATOM 527 CG2 ILE A 34 -3.307 14.328 3.073 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.665 11.745 2.126 1.00 0.00 C ATOM 0 H ILE A 34 -1.052 12.187 0.649 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.387 14.624 0.319 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.189 12.560 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.574 13.519 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.519 12.226 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.974 13.794 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.487 14.766 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.861 15.119 2.567 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.487 11.308 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.990 10.955 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.061 12.267 2.997 1.00 0.00 H new ATOM 540 N VAL A 35 0.010 14.663 2.609 1.00 0.00 N ATOM 541 CA VAL A 35 0.813 15.563 3.436 1.00 0.00 C ATOM 542 C VAL A 35 1.425 16.692 2.609 1.00 0.00 C ATOM 543 O VAL A 35 1.264 17.867 2.941 1.00 0.00 O ATOM 544 CB VAL A 35 1.932 14.781 4.127 1.00 0.00 C ATOM 545 CG1 VAL A 35 2.950 15.762 4.712 1.00 0.00 C ATOM 546 CG2 VAL A 35 1.339 13.935 5.256 1.00 0.00 C ATOM 0 H VAL A 35 0.296 13.684 2.640 1.00 0.00 H new ATOM 0 HA VAL A 35 0.150 16.003 4.181 1.00 0.00 H new ATOM 0 HB VAL A 35 2.423 14.131 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.748 15.207 5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.371 16.370 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.457 16.409 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.135 13.377 5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.850 14.586 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.609 13.238 4.844 1.00 0.00 H new ATOM 556 N LEU A 36 2.121 16.340 1.532 1.00 0.00 N ATOM 557 CA LEU A 36 2.741 17.351 0.681 1.00 0.00 C ATOM 558 C LEU A 36 1.669 18.182 -0.018 1.00 0.00 C ATOM 559 O LEU A 36 1.856 19.375 -0.263 1.00 0.00 O ATOM 560 CB LEU A 36 3.647 16.693 -0.378 1.00 0.00 C ATOM 561 CG LEU A 36 4.950 16.152 0.248 1.00 0.00 C ATOM 562 CD1 LEU A 36 4.714 14.757 0.826 1.00 0.00 C ATOM 563 CD2 LEU A 36 6.026 16.064 -0.837 1.00 0.00 C ATOM 0 H LEU A 36 2.269 15.377 1.231 1.00 0.00 H new ATOM 0 HA LEU A 36 3.348 17.998 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.109 15.878 -0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.889 17.420 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 36 5.270 16.823 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.639 14.384 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.942 14.807 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.392 14.084 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.950 15.683 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.692 15.392 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.203 17.055 -1.255 1.00 0.00 H new ATOM 575 N SER A 37 0.549 17.545 -0.340 1.00 0.00 N ATOM 576 CA SER A 37 -0.543 18.235 -1.017 1.00 0.00 C ATOM 577 C SER A 37 -1.076 19.385 -0.167 1.00 0.00 C ATOM 578 O SER A 37 -1.463 20.427 -0.695 1.00 0.00 O ATOM 579 CB SER A 37 -1.677 17.254 -1.310 1.00 0.00 C ATOM 580 OG SER A 37 -1.202 16.226 -2.167 1.00 0.00 O ATOM 0 H SER A 37 0.374 16.559 -0.145 1.00 0.00 H new ATOM 0 HA SER A 37 -0.157 18.642 -1.951 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.050 16.824 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.512 17.776 -1.778 1.00 0.00 H new ATOM 0 HG SER A 37 -0.362 15.867 -1.813 1.00 0.00 H new ATOM 586 N ARG A 38 -1.098 19.193 1.148 1.00 0.00 N ATOM 587 CA ARG A 38 -1.595 20.231 2.048 1.00 0.00 C ATOM 588 C ARG A 38 -0.798 21.519 1.868 1.00 0.00 C ATOM 589 O ARG A 38 -1.357 22.615 1.901 1.00 0.00 O ATOM 590 CB ARG A 38 -1.489 19.762 3.500 1.00 0.00 C ATOM 591 CG ARG A 38 -2.878 19.769 4.145 1.00 0.00 C ATOM 592 CD ARG A 38 -3.777 18.739 3.454 1.00 0.00 C ATOM 593 NE ARG A 38 -4.906 19.402 2.812 1.00 0.00 N ATOM 594 CZ ARG A 38 -5.730 18.733 2.011 1.00 0.00 C ATOM 595 NH1 ARG A 38 -5.543 17.460 1.798 1.00 0.00 N ATOM 596 NH2 ARG A 38 -6.729 19.351 1.442 1.00 0.00 N ATOM 0 H ARG A 38 -0.782 18.341 1.611 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.640 20.425 1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.064 18.759 3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.816 20.415 4.055 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.797 19.539 5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.320 20.762 4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.202 18.184 2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.139 18.015 4.184 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.066 20.395 2.980 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.764 16.977 2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.175 16.947 1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.877 20.346 1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.362 18.839 0.827 1.00 0.00 H new ATOM 610 N ARG A 39 0.509 21.380 1.677 1.00 0.00 N ATOM 611 CA ARG A 39 1.374 22.538 1.492 1.00 0.00 C ATOM 612 C ARG A 39 0.920 23.369 0.297 1.00 0.00 C ATOM 613 O ARG A 39 1.091 24.588 0.273 1.00 0.00 O ATOM 614 CB ARG A 39 2.818 22.082 1.277 1.00 0.00 C ATOM 615 CG ARG A 39 3.754 23.287 1.380 1.00 0.00 C ATOM 616 CD ARG A 39 5.195 22.834 1.148 1.00 0.00 C ATOM 617 NE ARG A 39 5.383 22.441 -0.243 1.00 0.00 N ATOM 618 CZ ARG A 39 6.430 21.711 -0.614 1.00 0.00 C ATOM 619 NH1 ARG A 39 7.308 21.332 0.273 1.00 0.00 N ATOM 620 NH2 ARG A 39 6.578 21.375 -1.867 1.00 0.00 N ATOM 0 H ARG A 39 0.991 20.481 1.646 1.00 0.00 H new ATOM 0 HA ARG A 39 1.315 23.154 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.089 21.333 2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.920 21.611 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.476 24.041 0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.661 23.750 2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.883 23.641 1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.431 21.997 1.805 1.00 0.00 H new ATOM 0 HE ARG A 39 4.700 22.731 -0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.191 21.596 1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.111 20.772 -0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.891 21.673 -2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.381 20.815 -2.153 1.00 0.00 H new ATOM 634 N CYS A 40 0.344 22.700 -0.696 1.00 0.00 N ATOM 635 CA CYS A 40 -0.127 23.386 -1.893 1.00 0.00 C ATOM 636 C CYS A 40 -1.145 24.461 -1.532 1.00 0.00 C ATOM 637 O CYS A 40 -1.152 25.544 -2.120 1.00 0.00 O ATOM 638 CB CYS A 40 -0.765 22.381 -2.853 1.00 0.00 C ATOM 639 SG CYS A 40 0.373 21.000 -3.124 1.00 0.00 S ATOM 0 H CYS A 40 0.193 21.691 -0.696 1.00 0.00 H new ATOM 0 HA CYS A 40 0.728 23.860 -2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.706 22.016 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.999 22.865 -3.801 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.170 20.144 -3.938 1.00 0.00 H new ATOM 645 N ARG A 41 -2.005 24.157 -0.567 1.00 0.00 N ATOM 646 CA ARG A 41 -3.022 25.109 -0.144 1.00 0.00 C ATOM 647 C ARG A 41 -2.377 26.385 0.379 1.00 0.00 C ATOM 648 O ARG A 41 -2.870 27.486 0.136 1.00 0.00 O ATOM 649 CB ARG A 41 -3.902 24.494 0.945 1.00 0.00 C ATOM 650 CG ARG A 41 -5.090 25.417 1.217 1.00 0.00 C ATOM 651 CD ARG A 41 -6.072 24.720 2.158 1.00 0.00 C ATOM 652 NE ARG A 41 -7.275 25.528 2.314 1.00 0.00 N ATOM 653 CZ ARG A 41 -8.044 25.415 3.391 1.00 0.00 C ATOM 654 NH1 ARG A 41 -7.729 24.568 4.333 1.00 0.00 N ATOM 655 NH2 ARG A 41 -9.115 26.153 3.508 1.00 0.00 N ATOM 0 H ARG A 41 -2.018 23.268 -0.068 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.639 25.355 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.255 23.511 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.323 24.349 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.745 26.351 1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.586 25.674 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.333 23.738 1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.605 24.558 3.129 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.531 26.192 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.892 23.992 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.320 24.482 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.361 26.816 2.773 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.706 26.067 4.335 1.00 0.00 H new ATOM 669 N CYS A 42 -1.272 26.228 1.098 1.00 0.00 N ATOM 670 CA CYS A 42 -0.565 27.375 1.653 1.00 0.00 C ATOM 671 C CYS A 42 0.283 28.057 0.578 1.00 0.00 C ATOM 672 O CYS A 42 0.392 29.282 0.547 1.00 0.00 O ATOM 673 CB CYS A 42 0.326 26.925 2.814 1.00 0.00 C ATOM 674 SG CYS A 42 -0.638 26.919 4.348 1.00 0.00 S ATOM 0 H CYS A 42 -0.849 25.324 1.309 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.300 28.092 2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.723 25.929 2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.180 27.595 2.911 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.083 28.117 4.585 1.00 0.00 H new ATOM 680 N LYS A 43 0.883 27.255 -0.298 1.00 0.00 N ATOM 681 CA LYS A 43 1.723 27.793 -1.367 1.00 0.00 C ATOM 682 C LYS A 43 0.883 28.394 -2.492 1.00 0.00 C ATOM 683 O LYS A 43 1.341 29.282 -3.209 1.00 0.00 O ATOM 684 CB LYS A 43 2.607 26.686 -1.947 1.00 0.00 C ATOM 685 CG LYS A 43 3.865 26.518 -1.094 1.00 0.00 C ATOM 686 CD LYS A 43 4.738 25.414 -1.694 1.00 0.00 C ATOM 687 CE LYS A 43 6.098 25.400 -0.995 1.00 0.00 C ATOM 688 NZ LYS A 43 7.004 26.382 -1.654 1.00 0.00 N ATOM 0 H LYS A 43 0.805 26.238 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 43 2.340 28.580 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.053 25.748 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.883 26.930 -2.973 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.420 27.455 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.593 26.266 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.249 24.447 -1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.869 25.580 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.980 25.649 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.532 24.401 -1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.929 26.373 -1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.126 26.125 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.590 27.334 -1.589 1.00 0.00 H new ATOM 702 N PHE A 44 -0.337 27.892 -2.659 1.00 0.00 N ATOM 703 CA PHE A 44 -1.207 28.382 -3.725 1.00 0.00 C ATOM 704 C PHE A 44 -1.599 29.839 -3.502 1.00 0.00 C ATOM 705 O PHE A 44 -1.518 30.653 -4.420 1.00 0.00 O ATOM 706 CB PHE A 44 -2.471 27.528 -3.801 1.00 0.00 C ATOM 707 CG PHE A 44 -3.457 28.181 -4.740 1.00 0.00 C ATOM 708 CD1 PHE A 44 -3.194 28.209 -6.114 1.00 0.00 C ATOM 709 CD2 PHE A 44 -4.629 28.763 -4.239 1.00 0.00 C ATOM 710 CE1 PHE A 44 -4.102 28.818 -6.989 1.00 0.00 C ATOM 711 CE2 PHE A 44 -5.536 29.373 -5.113 1.00 0.00 C ATOM 712 CZ PHE A 44 -5.273 29.400 -6.488 1.00 0.00 C ATOM 0 H PHE A 44 -0.742 27.157 -2.080 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.653 28.313 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.226 26.525 -4.152 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.911 27.420 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.290 27.761 -6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.832 28.741 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.899 28.839 -8.050 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.439 29.823 -4.727 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.974 29.870 -7.162 1.00 0.00 H new ATOM 722 N ASN A 45 -2.028 30.164 -2.287 1.00 0.00 N ATOM 723 CA ASN A 45 -2.431 31.532 -1.979 1.00 0.00 C ATOM 724 C ASN A 45 -2.373 31.793 -0.479 1.00 0.00 C ATOM 725 O ASN A 45 -3.268 31.393 0.267 1.00 0.00 O ATOM 726 CB ASN A 45 -3.855 31.779 -2.483 1.00 0.00 C ATOM 727 CG ASN A 45 -4.211 33.257 -2.356 1.00 0.00 C ATOM 728 OD1 ASN A 45 -3.350 34.079 -2.042 1.00 0.00 O ATOM 729 ND2 ASN A 45 -5.438 33.646 -2.581 1.00 0.00 N ATOM 0 H ASN A 45 -2.105 29.509 -1.509 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.739 32.211 -2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.940 31.465 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.561 31.177 -1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.684 34.632 -2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.150 32.963 -2.841 1.00 0.00 H new ATOM 736 N GLN A 46 -1.319 32.472 -0.045 1.00 0.00 N ATOM 737 CA GLN A 46 -1.154 32.791 1.367 1.00 0.00 C ATOM 738 C GLN A 46 -2.248 33.750 1.827 1.00 0.00 C ATOM 739 O GLN A 46 -2.669 33.722 2.983 1.00 0.00 O ATOM 740 CB GLN A 46 0.217 33.429 1.593 1.00 0.00 C ATOM 741 CG GLN A 46 1.313 32.422 1.239 1.00 0.00 C ATOM 742 CD GLN A 46 2.685 33.049 1.457 1.00 0.00 C ATOM 743 OE1 GLN A 46 2.770 34.291 1.847 1.00 0.00 O flip ATOM 744 NE2 GLN A 46 3.707 32.391 1.264 1.00 0.00 N flip ATOM 0 H GLN A 46 -0.569 32.811 -0.647 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.228 31.870 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.319 34.324 0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.318 33.742 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.210 31.528 1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.208 32.108 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.638 31.420 0.959 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.623 32.817 1.409 1.00 0.00 H new ATOM 753 N GLN A 47 -2.704 34.599 0.909 1.00 0.00 N ATOM 754 CA GLN A 47 -3.748 35.569 1.222 1.00 0.00 C ATOM 755 C GLN A 47 -5.037 34.863 1.639 1.00 0.00 C ATOM 756 O GLN A 47 -5.838 35.412 2.395 1.00 0.00 O ATOM 757 CB GLN A 47 -4.017 36.454 0.004 1.00 0.00 C ATOM 758 CG GLN A 47 -2.718 37.145 -0.420 1.00 0.00 C ATOM 759 CD GLN A 47 -2.249 38.096 0.676 1.00 0.00 C ATOM 760 OE1 GLN A 47 -3.021 38.935 1.141 1.00 0.00 O ATOM 761 NE2 GLN A 47 -1.025 38.014 1.121 1.00 0.00 N ATOM 0 H GLN A 47 -2.368 34.634 -0.053 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.406 36.186 2.053 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.407 35.853 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.777 37.198 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.948 36.399 -0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.876 37.696 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.387 37.318 0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.706 38.646 1.856 1.00 0.00 H new ATOM 770 N GLN A 48 -5.233 33.647 1.140 1.00 0.00 N ATOM 771 CA GLN A 48 -6.432 32.884 1.471 1.00 0.00 C ATOM 772 C GLN A 48 -6.570 32.730 2.983 1.00 0.00 C ATOM 773 O GLN A 48 -7.663 32.861 3.533 1.00 0.00 O ATOM 774 CB GLN A 48 -6.367 31.501 0.817 1.00 0.00 C ATOM 775 CG GLN A 48 -7.703 30.780 1.013 1.00 0.00 C ATOM 776 CD GLN A 48 -7.661 29.407 0.351 1.00 0.00 C ATOM 777 OE1 GLN A 48 -7.900 28.341 1.067 1.00 0.00 O flip ATOM 778 NE2 GLN A 48 -7.403 29.301 -0.848 1.00 0.00 N flip ATOM 0 H GLN A 48 -4.585 33.172 0.511 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.300 33.424 1.093 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.148 31.600 -0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.558 30.917 1.257 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.914 30.673 2.077 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.511 31.374 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.217 30.135 -1.405 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.376 28.379 -1.284 1.00 0.00 H new ATOM 787 N ARG A 49 -5.453 32.452 3.648 1.00 0.00 N ATOM 788 CA ARG A 49 -5.461 32.285 5.097 1.00 0.00 C ATOM 789 C ARG A 49 -5.689 33.621 5.797 1.00 0.00 C ATOM 790 O ARG A 49 -6.277 33.673 6.877 1.00 0.00 O ATOM 791 CB ARG A 49 -4.133 31.680 5.560 1.00 0.00 C ATOM 792 CG ARG A 49 -4.101 30.191 5.208 1.00 0.00 C ATOM 793 CD ARG A 49 -4.714 29.378 6.351 1.00 0.00 C ATOM 794 NE ARG A 49 -5.302 28.147 5.836 1.00 0.00 N ATOM 795 CZ ARG A 49 -4.538 27.143 5.416 1.00 0.00 C ATOM 796 NH1 ARG A 49 -3.238 27.251 5.459 1.00 0.00 N ATOM 797 NH2 ARG A 49 -5.089 26.054 4.959 1.00 0.00 N ATOM 0 H ARG A 49 -4.538 32.338 3.211 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.278 31.613 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.300 32.196 5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.016 31.813 6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.654 30.013 4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.074 29.871 5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.948 29.142 7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.476 29.969 6.859 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.317 28.054 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.809 28.105 5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.651 26.481 5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.105 25.973 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.504 25.283 4.636 1.00 0.00 H new ATOM 811 N THR A 50 -5.218 34.701 5.179 1.00 0.00 N ATOM 812 CA THR A 50 -5.378 36.030 5.759 1.00 0.00 C ATOM 813 C THR A 50 -6.845 36.302 6.076 1.00 0.00 C ATOM 814 O THR A 50 -7.164 36.914 7.096 1.00 0.00 O ATOM 815 CB THR A 50 -4.857 37.093 4.788 1.00 0.00 C ATOM 816 OG1 THR A 50 -3.558 36.730 4.345 1.00 0.00 O ATOM 817 CG2 THR A 50 -4.798 38.448 5.493 1.00 0.00 C ATOM 0 H THR A 50 -4.727 34.683 4.285 1.00 0.00 H new ATOM 0 HA THR A 50 -4.803 36.073 6.684 1.00 0.00 H new ATOM 0 HB THR A 50 -5.528 37.162 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.160 37.478 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.427 39.203 4.800 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.796 38.726 5.832 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.129 38.383 6.351 1.00 0.00 H new ATOM 825 N GLY A 51 -7.731 35.841 5.195 1.00 0.00 N ATOM 826 CA GLY A 51 -9.167 36.033 5.382 1.00 0.00 C ATOM 827 C GLY A 51 -9.802 36.652 4.140 1.00 0.00 C ATOM 828 O GLY A 51 -10.301 37.776 4.183 1.00 0.00 O ATOM 0 H GLY A 51 -7.480 35.333 4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.641 35.075 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.342 36.677 6.244 1.00 0.00 H new ATOM 832 N GLU A 52 -9.780 35.909 3.036 1.00 0.00 N ATOM 833 CA GLU A 52 -10.359 36.396 1.789 1.00 0.00 C ATOM 834 C GLU A 52 -11.745 35.783 1.572 1.00 0.00 C ATOM 835 O GLU A 52 -12.049 34.725 2.121 1.00 0.00 O ATOM 836 CB GLU A 52 -9.446 36.030 0.616 1.00 0.00 C ATOM 837 CG GLU A 52 -8.567 37.229 0.255 1.00 0.00 C ATOM 838 CD GLU A 52 -7.627 36.859 -0.887 1.00 0.00 C ATOM 839 OE1 GLU A 52 -7.872 35.849 -1.526 1.00 0.00 O ATOM 840 OE2 GLU A 52 -6.676 37.591 -1.107 1.00 0.00 O ATOM 0 H GLU A 52 -9.371 34.976 2.980 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.457 37.480 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.823 35.176 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.045 35.733 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.191 38.074 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.990 37.543 1.125 1.00 0.00 H new ATOM 847 N PRO A 53 -12.589 36.414 0.786 1.00 0.00 N ATOM 848 CA PRO A 53 -13.958 35.897 0.510 1.00 0.00 C ATOM 849 C PRO A 53 -13.976 34.381 0.324 1.00 0.00 C ATOM 850 O PRO A 53 -14.932 33.709 0.710 1.00 0.00 O ATOM 851 CB PRO A 53 -14.352 36.605 -0.787 1.00 0.00 C ATOM 852 CG PRO A 53 -13.577 37.882 -0.806 1.00 0.00 C ATOM 853 CD PRO A 53 -12.340 37.684 0.077 1.00 0.00 C ATOM 0 HA PRO A 53 -14.642 36.089 1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -14.114 35.991 -1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -15.424 36.798 -0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.284 38.137 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.186 38.706 -0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.430 37.633 -0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.216 38.511 0.776 1.00 0.00 H new ATOM 861 N ASP A 54 -12.913 33.852 -0.275 1.00 0.00 N ATOM 862 CA ASP A 54 -12.819 32.416 -0.513 1.00 0.00 C ATOM 863 C ASP A 54 -14.117 31.889 -1.116 1.00 0.00 C ATOM 864 O ASP A 54 -14.448 30.712 -0.972 1.00 0.00 O ATOM 865 CB ASP A 54 -12.529 31.685 0.800 1.00 0.00 C ATOM 866 CG ASP A 54 -12.213 30.219 0.521 1.00 0.00 C ATOM 867 OD1 ASP A 54 -11.139 29.954 0.006 1.00 0.00 O ATOM 868 OD2 ASP A 54 -13.049 29.385 0.825 1.00 0.00 O ATOM 0 H ASP A 54 -12.111 34.391 -0.602 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.005 32.235 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.689 32.156 1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.389 31.760 1.465 1.00 0.00 H new ATOM 873 N GLU A 55 -14.848 32.770 -1.793 1.00 0.00 N ATOM 874 CA GLU A 55 -16.111 32.387 -2.416 1.00 0.00 C ATOM 875 C GLU A 55 -15.867 31.436 -3.585 1.00 0.00 C ATOM 876 O GLU A 55 -16.653 30.519 -3.827 1.00 0.00 O ATOM 877 CB GLU A 55 -16.841 33.635 -2.918 1.00 0.00 C ATOM 878 CG GLU A 55 -18.351 33.374 -2.950 1.00 0.00 C ATOM 879 CD GLU A 55 -18.915 33.374 -1.533 1.00 0.00 C ATOM 880 OE1 GLU A 55 -18.204 33.787 -0.632 1.00 0.00 O ATOM 881 OE2 GLU A 55 -20.051 32.960 -1.369 1.00 0.00 O ATOM 0 H GLU A 55 -14.590 33.748 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.723 31.879 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.623 34.482 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.487 33.899 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -18.847 34.139 -3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -18.552 32.416 -3.429 1.00 0.00 H new ATOM 888 N GLU A 56 -14.776 31.664 -4.307 1.00 0.00 N ATOM 889 CA GLU A 56 -14.437 30.826 -5.452 1.00 0.00 C ATOM 890 C GLU A 56 -13.502 29.694 -5.033 1.00 0.00 C ATOM 891 O GLU A 56 -12.876 29.754 -3.975 1.00 0.00 O ATOM 892 CB GLU A 56 -13.760 31.672 -6.533 1.00 0.00 C ATOM 893 CG GLU A 56 -14.716 32.774 -6.995 1.00 0.00 C ATOM 894 CD GLU A 56 -14.057 33.611 -8.086 1.00 0.00 C ATOM 895 OE1 GLU A 56 -12.868 33.437 -8.301 1.00 0.00 O ATOM 896 OE2 GLU A 56 -14.750 34.414 -8.690 1.00 0.00 O ATOM 0 H GLU A 56 -14.114 32.418 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.357 30.395 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.842 32.112 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.478 31.043 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.639 32.332 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.987 33.409 -6.152 1.00 0.00 H new ATOM 903 N GLU A 57 -13.410 28.667 -5.874 1.00 0.00 N ATOM 904 CA GLU A 57 -12.544 27.530 -5.584 1.00 0.00 C ATOM 905 C GLU A 57 -11.091 27.985 -5.468 1.00 0.00 C ATOM 906 O GLU A 57 -10.662 28.904 -6.167 1.00 0.00 O ATOM 907 CB GLU A 57 -12.671 26.481 -6.692 1.00 0.00 C ATOM 908 CG GLU A 57 -14.113 25.975 -6.756 1.00 0.00 C ATOM 909 CD GLU A 57 -14.231 24.860 -7.790 1.00 0.00 C ATOM 910 OE1 GLU A 57 -13.265 24.633 -8.500 1.00 0.00 O ATOM 911 OE2 GLU A 57 -15.286 24.250 -7.858 1.00 0.00 O ATOM 0 H GLU A 57 -13.920 28.599 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.852 27.090 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.384 26.913 -7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.992 25.651 -6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.422 25.608 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.783 26.795 -7.015 1.00 0.00 H new ATOM 918 N GLY A 58 -10.339 27.341 -4.581 1.00 0.00 N ATOM 919 CA GLY A 58 -8.938 27.694 -4.382 1.00 0.00 C ATOM 920 C GLY A 58 -8.015 26.706 -5.091 1.00 0.00 C ATOM 921 O GLY A 58 -8.209 26.391 -6.265 1.00 0.00 O ATOM 0 H GLY A 58 -10.673 26.578 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.757 28.700 -4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.711 27.707 -3.316 1.00 0.00 H new ATOM 925 N THR A 59 -7.012 26.225 -4.366 1.00 0.00 N ATOM 926 CA THR A 59 -6.056 25.274 -4.923 1.00 0.00 C ATOM 927 C THR A 59 -6.788 24.128 -5.615 1.00 0.00 C ATOM 928 O THR A 59 -8.018 24.094 -5.641 1.00 0.00 O ATOM 929 CB THR A 59 -5.171 24.731 -3.794 1.00 0.00 C ATOM 930 OG1 THR A 59 -4.612 25.822 -3.084 1.00 0.00 O ATOM 931 CG2 THR A 59 -4.040 23.858 -4.354 1.00 0.00 C ATOM 0 H THR A 59 -6.839 26.477 -3.393 1.00 0.00 H new ATOM 0 HA THR A 59 -5.435 25.779 -5.663 1.00 0.00 H new ATOM 0 HB THR A 59 -5.783 24.118 -3.132 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.716 26.642 -3.610 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.427 23.486 -3.533 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.466 23.016 -4.900 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.422 24.451 -5.028 1.00 0.00 H new ATOM 939 N PHE A 60 -6.029 23.186 -6.169 1.00 0.00 N ATOM 940 CA PHE A 60 -6.634 22.047 -6.848 1.00 0.00 C ATOM 941 C PHE A 60 -7.313 21.147 -5.827 1.00 0.00 C ATOM 942 O PHE A 60 -8.442 20.697 -6.024 1.00 0.00 O ATOM 943 CB PHE A 60 -5.566 21.256 -7.606 1.00 0.00 C ATOM 944 CG PHE A 60 -6.231 20.191 -8.447 1.00 0.00 C ATOM 945 CD1 PHE A 60 -6.922 20.547 -9.613 1.00 0.00 C ATOM 946 CD2 PHE A 60 -6.161 18.848 -8.060 1.00 0.00 C ATOM 947 CE1 PHE A 60 -7.540 19.560 -10.390 1.00 0.00 C ATOM 948 CE2 PHE A 60 -6.778 17.861 -8.837 1.00 0.00 C ATOM 949 CZ PHE A 60 -7.468 18.217 -10.002 1.00 0.00 C ATOM 0 H PHE A 60 -5.009 23.189 -6.161 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.374 22.410 -7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -4.984 21.925 -8.240 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.870 20.798 -6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.978 21.583 -9.912 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.630 18.573 -7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -8.072 19.835 -11.289 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -6.722 16.825 -8.538 1.00 0.00 H new ATOM 0 HZ PHE A 60 -7.945 17.455 -10.601 1.00 0.00 H new ATOM 959 N ARG A 61 -6.615 20.909 -4.724 1.00 0.00 N ATOM 960 CA ARG A 61 -7.143 20.083 -3.650 1.00 0.00 C ATOM 961 C ARG A 61 -8.349 20.772 -3.024 1.00 0.00 C ATOM 962 O ARG A 61 -9.272 20.119 -2.543 1.00 0.00 O ATOM 963 CB ARG A 61 -6.071 19.833 -2.580 1.00 0.00 C ATOM 964 CG ARG A 61 -4.829 19.188 -3.211 1.00 0.00 C ATOM 965 CD ARG A 61 -4.984 17.665 -3.238 1.00 0.00 C ATOM 966 NE ARG A 61 -4.102 17.096 -4.248 1.00 0.00 N ATOM 967 CZ ARG A 61 -4.144 15.804 -4.544 1.00 0.00 C ATOM 968 NH1 ARG A 61 -4.983 15.021 -3.923 1.00 0.00 N ATOM 969 NH2 ARG A 61 -3.349 15.317 -5.457 1.00 0.00 N ATOM 0 H ARG A 61 -5.680 21.278 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.446 19.121 -4.064 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.798 20.774 -2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.470 19.184 -1.800 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.689 19.565 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.940 19.461 -2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.747 17.249 -2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.019 17.400 -3.455 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.441 17.701 -4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.605 15.403 -3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.016 14.027 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.695 15.930 -5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.382 14.323 -5.684 1.00 0.00 H new ATOM 983 N SER A 62 -8.323 22.098 -3.026 1.00 0.00 N ATOM 984 CA SER A 62 -9.412 22.871 -2.447 1.00 0.00 C ATOM 985 C SER A 62 -10.721 22.569 -3.169 1.00 0.00 C ATOM 986 O SER A 62 -11.788 22.570 -2.561 1.00 0.00 O ATOM 987 CB SER A 62 -9.101 24.361 -2.557 1.00 0.00 C ATOM 988 OG SER A 62 -9.438 24.815 -3.861 1.00 0.00 O ATOM 0 H SER A 62 -7.566 22.657 -3.419 1.00 0.00 H new ATOM 0 HA SER A 62 -9.516 22.596 -1.397 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.664 24.918 -1.808 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.044 24.539 -2.359 1.00 0.00 H new ATOM 0 HG SER A 62 -9.004 24.243 -4.529 1.00 0.00 H new ATOM 994 N SER A 63 -10.635 22.307 -4.468 1.00 0.00 N ATOM 995 CA SER A 63 -11.828 21.998 -5.248 1.00 0.00 C ATOM 996 C SER A 63 -12.440 20.676 -4.780 1.00 0.00 C ATOM 997 O SER A 63 -13.655 20.485 -4.845 1.00 0.00 O ATOM 998 CB SER A 63 -11.476 21.905 -6.734 1.00 0.00 C ATOM 999 OG SER A 63 -10.775 23.079 -7.129 1.00 0.00 O ATOM 0 H SER A 63 -9.764 22.302 -4.998 1.00 0.00 H new ATOM 0 HA SER A 63 -12.555 22.797 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.863 21.023 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.383 21.793 -7.328 1.00 0.00 H new ATOM 0 HG SER A 63 -11.388 23.685 -7.595 1.00 0.00 H new ATOM 1005 N ILE A 64 -11.586 19.769 -4.310 1.00 0.00 N ATOM 1006 CA ILE A 64 -12.040 18.462 -3.834 1.00 0.00 C ATOM 1007 C ILE A 64 -12.945 18.613 -2.610 1.00 0.00 C ATOM 1008 O ILE A 64 -13.866 17.823 -2.414 1.00 0.00 O ATOM 1009 CB ILE A 64 -10.846 17.567 -3.475 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -9.906 17.421 -4.686 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -11.354 16.188 -3.047 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -10.349 16.249 -5.568 1.00 0.00 C ATOM 0 H ILE A 64 -10.578 19.914 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.606 17.996 -4.641 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.293 18.024 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.906 18.343 -5.268 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.884 17.261 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.507 15.551 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.004 16.293 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.914 15.736 -3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.674 16.159 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.325 15.327 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.363 16.426 -5.926 1.00 0.00 H new ATOM 1024 N ARG A 65 -12.677 19.624 -1.788 1.00 0.00 N ATOM 1025 CA ARG A 65 -13.480 19.852 -0.587 1.00 0.00 C ATOM 1026 C ARG A 65 -14.945 20.033 -0.961 1.00 0.00 C ATOM 1027 O ARG A 65 -15.837 19.699 -0.184 1.00 0.00 O ATOM 1028 CB ARG A 65 -12.989 21.099 0.165 1.00 0.00 C ATOM 1029 CG ARG A 65 -11.705 20.790 0.954 1.00 0.00 C ATOM 1030 CD ARG A 65 -12.018 20.737 2.454 1.00 0.00 C ATOM 1031 NE ARG A 65 -10.800 20.495 3.219 1.00 0.00 N ATOM 1032 CZ ARG A 65 -9.979 21.491 3.534 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.257 22.709 3.157 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -8.898 21.253 4.225 1.00 0.00 N ATOM 0 H ARG A 65 -11.919 20.292 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.375 18.982 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -12.801 21.906 -0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.765 21.448 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.286 19.838 0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.953 21.554 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.473 21.675 2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.743 19.948 2.653 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.575 19.546 3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.104 22.896 2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.627 23.474 3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.683 20.302 4.524 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.268 22.018 4.466 1.00 0.00 H new ATOM 1048 N ARG A 66 -15.191 20.560 -2.156 1.00 0.00 N ATOM 1049 CA ARG A 66 -16.555 20.768 -2.615 1.00 0.00 C ATOM 1050 C ARG A 66 -17.339 19.460 -2.551 1.00 0.00 C ATOM 1051 O ARG A 66 -18.529 19.451 -2.246 1.00 0.00 O ATOM 1052 CB ARG A 66 -16.538 21.294 -4.052 1.00 0.00 C ATOM 1053 CG ARG A 66 -15.835 22.654 -4.091 1.00 0.00 C ATOM 1054 CD ARG A 66 -16.781 23.696 -4.686 1.00 0.00 C ATOM 1055 NE ARG A 66 -18.005 23.766 -3.899 1.00 0.00 N ATOM 1056 CZ ARG A 66 -18.946 24.661 -4.173 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -18.781 25.499 -5.160 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -20.034 24.702 -3.454 1.00 0.00 N ATOM 0 H ARG A 66 -14.469 20.848 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.040 21.499 -1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.023 20.588 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.557 21.389 -4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.536 22.950 -3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.926 22.589 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.295 24.671 -4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.017 23.437 -5.718 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.141 23.116 -3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.929 25.466 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.504 26.187 -5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.160 24.047 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.758 25.389 -3.663 1.00 0.00 H new ATOM 1072 N LEU A 67 -16.655 18.358 -2.830 1.00 0.00 N ATOM 1073 CA LEU A 67 -17.287 17.044 -2.799 1.00 0.00 C ATOM 1074 C LEU A 67 -17.910 16.803 -1.422 1.00 0.00 C ATOM 1075 O LEU A 67 -18.858 16.035 -1.282 1.00 0.00 O ATOM 1076 CB LEU A 67 -16.215 15.977 -3.129 1.00 0.00 C ATOM 1077 CG LEU A 67 -16.767 14.525 -3.145 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -16.984 13.964 -1.726 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -18.085 14.456 -3.922 1.00 0.00 C ATOM 0 H LEU A 67 -15.666 18.347 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 67 -18.086 16.984 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.778 16.202 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.411 16.043 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.013 13.912 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.371 12.947 -1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.036 13.958 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.699 14.590 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -18.455 13.431 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -18.820 15.107 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -17.919 14.781 -4.949 1.00 0.00 H new ATOM 1091 N SER A 68 -17.367 17.470 -0.408 1.00 0.00 N ATOM 1092 CA SER A 68 -17.874 17.319 0.953 1.00 0.00 C ATOM 1093 C SER A 68 -19.288 17.884 1.095 1.00 0.00 C ATOM 1094 O SER A 68 -20.160 17.235 1.674 1.00 0.00 O ATOM 1095 CB SER A 68 -16.940 18.028 1.936 1.00 0.00 C ATOM 1096 OG SER A 68 -17.328 17.711 3.265 1.00 0.00 O ATOM 0 H SER A 68 -16.582 18.115 -0.501 1.00 0.00 H new ATOM 0 HA SER A 68 -17.912 16.253 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.909 17.719 1.763 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.980 19.106 1.781 1.00 0.00 H new ATOM 0 HG SER A 68 -16.730 18.163 3.897 1.00 0.00 H new ATOM 1102 N THR A 69 -19.505 19.098 0.584 1.00 0.00 N ATOM 1103 CA THR A 69 -20.819 19.738 0.688 1.00 0.00 C ATOM 1104 C THR A 69 -21.562 19.744 -0.649 1.00 0.00 C ATOM 1105 O THR A 69 -22.777 19.554 -0.691 1.00 0.00 O ATOM 1106 CB THR A 69 -20.645 21.179 1.173 1.00 0.00 C ATOM 1107 OG1 THR A 69 -19.764 21.866 0.295 1.00 0.00 O ATOM 1108 CG2 THR A 69 -20.061 21.173 2.588 1.00 0.00 C ATOM 0 H THR A 69 -18.798 19.652 0.100 1.00 0.00 H new ATOM 0 HA THR A 69 -21.412 19.163 1.398 1.00 0.00 H new ATOM 0 HB THR A 69 -21.612 21.682 1.184 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.651 22.790 0.602 1.00 0.00 H new ATOM 0 HG21 THR A 69 -19.937 22.199 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.737 20.643 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.093 20.673 2.580 1.00 0.00 H new ATOM 1116 N ARG A 70 -20.835 19.982 -1.734 1.00 0.00 N ATOM 1117 CA ARG A 70 -21.456 20.028 -3.059 1.00 0.00 C ATOM 1118 C ARG A 70 -22.159 18.714 -3.385 1.00 0.00 C ATOM 1119 O ARG A 70 -23.292 18.716 -3.867 1.00 0.00 O ATOM 1120 CB ARG A 70 -20.397 20.317 -4.121 1.00 0.00 C ATOM 1121 CG ARG A 70 -21.074 20.646 -5.453 1.00 0.00 C ATOM 1122 CD ARG A 70 -20.011 20.741 -6.546 1.00 0.00 C ATOM 1123 NE ARG A 70 -20.556 21.394 -7.730 1.00 0.00 N ATOM 1124 CZ ARG A 70 -19.770 21.747 -8.742 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -18.489 21.506 -8.686 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -20.279 22.334 -9.790 1.00 0.00 N ATOM 0 H ARG A 70 -19.828 20.145 -1.728 1.00 0.00 H new ATOM 0 HA ARG A 70 -22.200 20.825 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -19.771 21.151 -3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -19.742 19.454 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -21.803 19.876 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -21.618 21.587 -5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -19.151 21.300 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -19.656 19.743 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 70 -21.557 21.583 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -18.092 21.047 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.885 21.776 -9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -21.281 22.522 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -19.675 22.605 -10.566 1.00 0.00 H new ATOM 1140 N ARG A 71 -21.479 17.603 -3.119 1.00 0.00 N ATOM 1141 CA ARG A 71 -22.041 16.280 -3.386 1.00 0.00 C ATOM 1142 C ARG A 71 -22.009 15.424 -2.126 1.00 0.00 C ATOM 1143 O ARG A 71 -21.194 15.648 -1.232 1.00 0.00 O ATOM 1144 CB ARG A 71 -21.245 15.588 -4.496 1.00 0.00 C ATOM 1145 CG ARG A 71 -22.059 15.593 -5.792 1.00 0.00 C ATOM 1146 CD ARG A 71 -21.253 14.923 -6.907 1.00 0.00 C ATOM 1147 NE ARG A 71 -20.417 15.905 -7.586 1.00 0.00 N ATOM 1148 CZ ARG A 71 -19.365 15.531 -8.308 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -19.063 14.267 -8.413 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -18.635 16.429 -8.910 1.00 0.00 N ATOM 0 H ARG A 71 -20.540 17.590 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 71 -23.076 16.402 -3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.295 16.100 -4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -21.012 14.564 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -23.001 15.066 -5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -22.307 16.616 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -20.630 14.131 -6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.929 14.454 -7.622 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.643 16.896 -7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -19.634 13.565 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.256 13.980 -8.967 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.871 17.418 -8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.828 16.142 -9.464 1.00 0.00 H new ATOM 1164 N ARG A 72 -22.904 14.444 -2.057 1.00 0.00 N ATOM 1165 CA ARG A 72 -22.965 13.565 -0.896 1.00 0.00 C ATOM 1166 C ARG A 72 -21.622 12.875 -0.678 1.00 0.00 C ATOM 1167 O ARG A 72 -21.206 12.779 0.466 1.00 0.00 O ATOM 1168 CB ARG A 72 -24.057 12.513 -1.093 1.00 0.00 C ATOM 1169 CG ARG A 72 -25.420 13.202 -1.179 1.00 0.00 C ATOM 1170 CD ARG A 72 -26.524 12.147 -1.267 1.00 0.00 C ATOM 1171 NE ARG A 72 -26.307 11.283 -2.423 1.00 0.00 N ATOM 1172 CZ ARG A 72 -26.512 11.726 -3.659 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -26.912 12.953 -3.854 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -26.315 10.935 -4.678 1.00 0.00 N ATOM 1175 OXT ARG A 72 -21.028 12.454 -1.657 1.00 0.00 O ATOM 0 H ARG A 72 -23.590 14.240 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 72 -23.198 14.168 -0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -23.868 11.943 -2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -24.048 11.804 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -25.575 13.833 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -25.455 13.853 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -26.539 11.550 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -27.496 12.634 -1.345 1.00 0.00 H new ATOM 0 HE ARG A 72 -25.993 10.323 -2.280 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -27.067 13.571 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -27.069 13.293 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -26.003 9.976 -4.526 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -26.473 11.276 -5.626 1.00 0.00 H new TER 1189 ARG A 72