USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 830 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 25 GLN : amide:sc= -1.21 K(o=-1.3,f=-2.9) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.101 X(o=-1.3,f=-1.5) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -0.177 (180deg=-0.505) USER MOD Single : A 3 LYS NZ :NH3+ 165:sc=-0.00616 (180deg=-0.222) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= 0.203 (180deg=0.00691) USER MOD Single : A 16 MET CE :methyl 160:sc= -0.373 (180deg=-0.829) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -2.64 K(o=-2.6,f=-4.4!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.177) USER MOD Single : A 45 TYR OH : rot -41:sc= 0.217 USER MOD Single : A 47 LYS NZ :NH3+ -120:sc= -0.0673 (180deg=-1.01) USER MOD Single : A 53 SER OG : rot -166:sc= 0.371 USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 SER OG : rot -25:sc= 0.255 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= -0.246 (180deg=-0.29) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -164:sc=-0.00718 (180deg=-0.188) USER MOD Single : A 100 THR OG1 : rot 78:sc= 0.0889 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 23.247 -36.475 8.852 1.00 0.00 N ATOM 2 CA GLY A -1 22.294 -35.844 7.926 1.00 0.00 C ATOM 3 C GLY A -1 21.758 -36.846 6.907 1.00 0.00 C ATOM 4 O GLY A -1 21.037 -37.766 7.287 1.00 0.00 O ATOM 0 H1 GLY A -1 23.592 -35.767 9.531 1.00 0.00 H new ATOM 0 H2 GLY A -1 22.774 -37.245 9.366 1.00 0.00 H new ATOM 0 H3 GLY A -1 24.050 -36.860 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A -1 21.464 -35.418 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A -1 22.782 -35.020 7.406 1.00 0.00 H new ATOM 10 N SER A 0 22.124 -36.671 5.630 1.00 0.00 N ATOM 11 CA SER A 0 21.723 -37.533 4.522 1.00 0.00 C ATOM 12 C SER A 0 20.197 -37.600 4.400 1.00 0.00 C ATOM 13 O SER A 0 19.605 -38.671 4.531 1.00 0.00 O ATOM 14 CB SER A 0 22.378 -38.917 4.658 1.00 0.00 C ATOM 15 OG SER A 0 22.093 -39.705 3.523 1.00 0.00 O ATOM 0 H SER A 0 22.725 -35.901 5.336 1.00 0.00 H new ATOM 0 HA SER A 0 22.082 -37.102 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 0 23.456 -38.807 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 0 22.011 -39.414 5.556 1.00 0.00 H new ATOM 0 HG SER A 0 22.516 -40.583 3.620 1.00 0.00 H new ATOM 21 N MET A 1 19.571 -36.447 4.140 1.00 0.00 N ATOM 22 CA MET A 1 18.130 -36.309 3.987 1.00 0.00 C ATOM 23 C MET A 1 17.824 -35.080 3.128 1.00 0.00 C ATOM 24 O MET A 1 18.601 -34.125 3.123 1.00 0.00 O ATOM 25 CB MET A 1 17.436 -36.248 5.359 1.00 0.00 C ATOM 26 CG MET A 1 17.615 -34.929 6.128 1.00 0.00 C ATOM 27 SD MET A 1 19.313 -34.436 6.534 1.00 0.00 S ATOM 28 CE MET A 1 18.974 -32.897 7.425 1.00 0.00 C ATOM 0 H MET A 1 20.071 -35.565 4.028 1.00 0.00 H new ATOM 0 HA MET A 1 17.732 -37.186 3.476 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.370 -36.425 5.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.814 -37.063 5.976 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.162 -34.130 5.541 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.051 -35.000 7.058 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.913 -32.451 7.752 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.453 -32.202 6.766 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.351 -33.109 8.294 1.00 0.00 H new ATOM 38 N LYS A 2 16.703 -35.122 2.398 1.00 0.00 N ATOM 39 CA LYS A 2 16.283 -34.081 1.466 1.00 0.00 C ATOM 40 C LYS A 2 14.880 -33.566 1.800 1.00 0.00 C ATOM 41 O LYS A 2 14.646 -32.362 1.727 1.00 0.00 O ATOM 42 CB LYS A 2 16.411 -34.560 0.006 1.00 0.00 C ATOM 43 CG LYS A 2 15.666 -35.857 -0.366 1.00 0.00 C ATOM 44 CD LYS A 2 16.424 -37.166 -0.076 1.00 0.00 C ATOM 45 CE LYS A 2 17.304 -37.641 -1.242 1.00 0.00 C ATOM 46 NZ LYS A 2 18.432 -36.756 -1.452 1.00 0.00 N ATOM 0 H LYS A 2 16.049 -35.904 2.444 1.00 0.00 H new ATOM 0 HA LYS A 2 16.957 -33.231 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.053 -33.763 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.469 -34.701 -0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.719 -35.879 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.426 -35.825 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.049 -37.026 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.703 -37.947 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 2 17.664 -38.650 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 2 16.707 -37.693 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.133 -37.226 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.106 -35.881 -1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.867 -36.525 -0.536 1.00 0.00 H new ATOM 59 N LYS A 3 13.964 -34.474 2.166 1.00 0.00 N ATOM 60 CA LYS A 3 12.553 -34.217 2.449 1.00 0.00 C ATOM 61 C LYS A 3 11.773 -33.837 1.186 1.00 0.00 C ATOM 62 O LYS A 3 12.324 -33.268 0.245 1.00 0.00 O ATOM 63 CB LYS A 3 12.359 -33.174 3.565 1.00 0.00 C ATOM 64 CG LYS A 3 13.196 -33.431 4.829 1.00 0.00 C ATOM 65 CD LYS A 3 12.918 -34.808 5.447 1.00 0.00 C ATOM 66 CE LYS A 3 13.679 -35.004 6.762 1.00 0.00 C ATOM 67 NZ LYS A 3 13.174 -34.118 7.793 1.00 0.00 N ATOM 0 H LYS A 3 14.205 -35.459 2.277 1.00 0.00 H new ATOM 0 HA LYS A 3 12.139 -35.156 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.610 -32.189 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.305 -33.148 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.255 -33.354 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.984 -32.656 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.848 -34.917 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 3 13.204 -35.588 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.585 -36.039 7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.741 -34.815 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 13.517 -34.436 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.508 -33.150 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.134 -34.132 7.784 1.00 0.00 H new ATOM 80 N TRP A 4 10.477 -34.170 1.175 1.00 0.00 N ATOM 81 CA TRP A 4 9.555 -33.897 0.080 1.00 0.00 C ATOM 82 C TRP A 4 8.292 -33.250 0.652 1.00 0.00 C ATOM 83 O TRP A 4 7.186 -33.768 0.507 1.00 0.00 O ATOM 84 CB TRP A 4 9.285 -35.189 -0.708 1.00 0.00 C ATOM 85 CG TRP A 4 8.712 -36.353 0.049 1.00 0.00 C ATOM 86 CD1 TRP A 4 9.372 -37.104 0.958 1.00 0.00 C ATOM 87 CD2 TRP A 4 7.379 -36.942 -0.055 1.00 0.00 C ATOM 88 NE1 TRP A 4 8.545 -38.095 1.445 1.00 0.00 N ATOM 89 CE2 TRP A 4 7.303 -38.044 0.847 1.00 0.00 C ATOM 90 CE3 TRP A 4 6.230 -36.666 -0.827 1.00 0.00 C ATOM 91 CZ2 TRP A 4 6.145 -38.826 0.982 1.00 0.00 C ATOM 92 CZ3 TRP A 4 5.071 -37.457 -0.715 1.00 0.00 C ATOM 93 CH2 TRP A 4 5.022 -38.528 0.195 1.00 0.00 C ATOM 0 H TRP A 4 10.032 -34.652 1.956 1.00 0.00 H new ATOM 0 HA TRP A 4 9.984 -33.193 -0.633 1.00 0.00 H new ATOM 0 HB2 TRP A 4 8.603 -34.950 -1.524 1.00 0.00 H new ATOM 0 HB3 TRP A 4 10.223 -35.510 -1.160 1.00 0.00 H new ATOM 0 HD1 TRP A 4 10.398 -36.951 1.259 1.00 0.00 H new ATOM 0 HE1 TRP A 4 8.816 -38.776 2.154 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.240 -35.834 -1.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.119 -39.647 1.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.212 -37.240 -1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.123 -39.119 0.288 1.00 0.00 H new ATOM 104 N SER A 5 8.478 -32.107 1.326 1.00 0.00 N ATOM 105 CA SER A 5 7.428 -31.382 2.026 1.00 0.00 C ATOM 106 C SER A 5 6.581 -30.572 1.039 1.00 0.00 C ATOM 107 O SER A 5 6.611 -29.342 1.047 1.00 0.00 O ATOM 108 CB SER A 5 8.067 -30.495 3.102 1.00 0.00 C ATOM 109 OG SER A 5 8.858 -31.283 3.968 1.00 0.00 O ATOM 0 H SER A 5 9.390 -31.655 1.397 1.00 0.00 H new ATOM 0 HA SER A 5 6.753 -32.084 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.681 -29.726 2.634 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.291 -29.982 3.670 1.00 0.00 H new ATOM 0 HG SER A 5 9.264 -30.710 4.652 1.00 0.00 H new ATOM 115 N ASP A 6 5.816 -31.277 0.200 1.00 0.00 N ATOM 116 CA ASP A 6 4.900 -30.709 -0.769 1.00 0.00 C ATOM 117 C ASP A 6 3.842 -31.762 -1.095 1.00 0.00 C ATOM 118 O ASP A 6 3.982 -32.513 -2.060 1.00 0.00 O ATOM 119 CB ASP A 6 5.668 -30.242 -2.014 1.00 0.00 C ATOM 120 CG ASP A 6 4.733 -29.653 -3.068 1.00 0.00 C ATOM 121 OD1 ASP A 6 4.695 -30.151 -4.191 1.00 0.00 O ATOM 122 OD2 ASP A 6 3.988 -28.581 -2.674 1.00 0.00 O ATOM 0 H ASP A 6 5.825 -32.297 0.184 1.00 0.00 H new ATOM 0 HA ASP A 6 4.401 -29.828 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 6 6.408 -29.495 -1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.214 -31.083 -2.441 1.00 0.00 H new ATOM 128 N THR A 7 2.802 -31.829 -0.257 1.00 0.00 N ATOM 129 CA THR A 7 1.729 -32.809 -0.343 1.00 0.00 C ATOM 130 C THR A 7 0.392 -32.136 -0.021 1.00 0.00 C ATOM 131 O THR A 7 0.363 -31.013 0.481 1.00 0.00 O ATOM 132 CB THR A 7 2.007 -33.969 0.629 1.00 0.00 C ATOM 133 OG1 THR A 7 2.123 -33.482 1.951 1.00 0.00 O ATOM 134 CG2 THR A 7 3.283 -34.735 0.268 1.00 0.00 C ATOM 0 H THR A 7 2.686 -31.180 0.521 1.00 0.00 H new ATOM 0 HA THR A 7 1.679 -33.212 -1.355 1.00 0.00 H new ATOM 0 HB THR A 7 1.164 -34.656 0.551 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.298 -34.229 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.436 -35.544 0.983 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.186 -35.151 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.136 -34.057 0.299 1.00 0.00 H new ATOM 142 N GLU A 8 -0.707 -32.850 -0.303 1.00 0.00 N ATOM 143 CA GLU A 8 -2.082 -32.474 0.016 1.00 0.00 C ATOM 144 C GLU A 8 -2.594 -31.309 -0.840 1.00 0.00 C ATOM 145 O GLU A 8 -1.833 -30.633 -1.531 1.00 0.00 O ATOM 146 CB GLU A 8 -2.266 -32.208 1.522 1.00 0.00 C ATOM 147 CG GLU A 8 -1.779 -33.386 2.381 1.00 0.00 C ATOM 148 CD GLU A 8 -2.041 -33.183 3.872 1.00 0.00 C ATOM 149 OE1 GLU A 8 -2.605 -32.165 4.267 1.00 0.00 O ATOM 150 OE2 GLU A 8 -1.610 -34.188 4.685 1.00 0.00 O ATOM 0 H GLU A 8 -0.653 -33.748 -0.783 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.703 -33.333 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.719 -31.307 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.319 -32.019 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.275 -34.299 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.710 -33.528 2.221 1.00 0.00 H new ATOM 158 N VAL A 9 -3.915 -31.103 -0.795 1.00 0.00 N ATOM 159 CA VAL A 9 -4.641 -30.078 -1.533 1.00 0.00 C ATOM 160 C VAL A 9 -4.774 -28.849 -0.630 1.00 0.00 C ATOM 161 O VAL A 9 -5.291 -28.970 0.480 1.00 0.00 O ATOM 162 CB VAL A 9 -6.015 -30.655 -1.930 1.00 0.00 C ATOM 163 CG1 VAL A 9 -6.929 -29.603 -2.567 1.00 0.00 C ATOM 164 CG2 VAL A 9 -5.847 -31.816 -2.920 1.00 0.00 C ATOM 0 H VAL A 9 -4.529 -31.675 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.121 -29.780 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.479 -31.005 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.883 -30.060 -2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.097 -28.791 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.458 -29.208 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.827 -32.210 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.341 -31.459 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.253 -32.605 -2.458 1.00 0.00 H new ATOM 174 N PHE A 10 -4.328 -27.675 -1.104 1.00 0.00 N ATOM 175 CA PHE A 10 -4.465 -26.407 -0.396 1.00 0.00 C ATOM 176 C PHE A 10 -4.024 -25.261 -1.314 1.00 0.00 C ATOM 177 O PHE A 10 -2.843 -24.921 -1.367 1.00 0.00 O ATOM 178 CB PHE A 10 -3.671 -26.388 0.927 1.00 0.00 C ATOM 179 CG PHE A 10 -3.978 -25.184 1.800 1.00 0.00 C ATOM 180 CD1 PHE A 10 -3.244 -23.990 1.664 1.00 0.00 C ATOM 181 CD2 PHE A 10 -5.046 -25.243 2.717 1.00 0.00 C ATOM 182 CE1 PHE A 10 -3.615 -22.846 2.393 1.00 0.00 C ATOM 183 CE2 PHE A 10 -5.402 -24.105 3.461 1.00 0.00 C ATOM 184 CZ PHE A 10 -4.696 -22.903 3.288 1.00 0.00 C ATOM 0 H PHE A 10 -3.856 -27.586 -2.004 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.514 -26.279 -0.130 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.890 -27.298 1.486 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.605 -26.401 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.394 -23.953 0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.593 -26.165 2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.069 -21.923 2.265 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.219 -24.155 4.166 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.984 -22.023 3.843 1.00 0.00 H new ATOM 194 N GLU A 11 -4.982 -24.671 -2.037 1.00 0.00 N ATOM 195 CA GLU A 11 -4.776 -23.565 -2.963 1.00 0.00 C ATOM 196 C GLU A 11 -5.825 -22.473 -2.716 1.00 0.00 C ATOM 197 O GLU A 11 -6.768 -22.328 -3.490 1.00 0.00 O ATOM 198 CB GLU A 11 -4.714 -24.073 -4.417 1.00 0.00 C ATOM 199 CG GLU A 11 -5.902 -24.899 -4.938 1.00 0.00 C ATOM 200 CD GLU A 11 -6.111 -26.218 -4.198 1.00 0.00 C ATOM 201 OE1 GLU A 11 -5.182 -27.017 -4.099 1.00 0.00 O ATOM 202 OE2 GLU A 11 -7.350 -26.398 -3.658 1.00 0.00 O ATOM 0 H GLU A 11 -5.957 -24.966 -1.987 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.807 -23.100 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.595 -23.208 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.813 -24.678 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.810 -24.301 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.750 -25.108 -5.997 1.00 0.00 H new ATOM 210 N MET A 12 -5.661 -21.710 -1.625 1.00 0.00 N ATOM 211 CA MET A 12 -6.603 -20.678 -1.194 1.00 0.00 C ATOM 212 C MET A 12 -5.939 -19.299 -1.134 1.00 0.00 C ATOM 213 O MET A 12 -4.716 -19.189 -1.173 1.00 0.00 O ATOM 214 CB MET A 12 -7.206 -21.039 0.173 1.00 0.00 C ATOM 215 CG MET A 12 -8.044 -22.323 0.142 1.00 0.00 C ATOM 216 SD MET A 12 -7.110 -23.863 0.318 1.00 0.00 S ATOM 217 CE MET A 12 -8.429 -25.068 0.030 1.00 0.00 C ATOM 0 H MET A 12 -4.853 -21.798 -1.009 1.00 0.00 H new ATOM 0 HA MET A 12 -7.403 -20.631 -1.933 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.401 -21.155 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 12 -7.829 -20.214 0.518 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.784 -22.273 0.941 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.593 -22.356 -0.799 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.022 -26.077 0.103 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.211 -24.937 0.778 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.849 -24.917 -0.964 1.00 0.00 H new ATOM 227 N LEU A 13 -6.787 -18.266 -1.025 1.00 0.00 N ATOM 228 CA LEU A 13 -6.487 -16.845 -0.918 1.00 0.00 C ATOM 229 C LEU A 13 -6.062 -16.246 -2.259 1.00 0.00 C ATOM 230 O LEU A 13 -5.246 -16.826 -2.972 1.00 0.00 O ATOM 231 CB LEU A 13 -5.574 -16.536 0.280 1.00 0.00 C ATOM 232 CG LEU A 13 -4.080 -16.331 -0.013 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.796 -14.857 -0.315 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.267 -16.751 1.214 1.00 0.00 C ATOM 0 H LEU A 13 -7.794 -18.428 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.409 -16.314 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.949 -15.637 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.669 -17.351 0.997 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.802 -16.934 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.734 -14.726 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.375 -14.546 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.077 -14.249 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.205 -16.608 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.559 -16.143 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.457 -17.802 1.434 1.00 0.00 H new ATOM 246 N LYS A 14 -6.668 -15.104 -2.614 1.00 0.00 N ATOM 247 CA LYS A 14 -6.566 -14.510 -3.945 1.00 0.00 C ATOM 248 C LYS A 14 -6.032 -13.078 -3.901 1.00 0.00 C ATOM 249 O LYS A 14 -5.944 -12.485 -2.827 1.00 0.00 O ATOM 250 CB LYS A 14 -7.905 -14.634 -4.675 1.00 0.00 C ATOM 251 CG LYS A 14 -9.065 -13.825 -4.095 1.00 0.00 C ATOM 252 CD LYS A 14 -8.976 -12.308 -4.314 1.00 0.00 C ATOM 253 CE LYS A 14 -10.355 -11.712 -4.616 1.00 0.00 C ATOM 254 NZ LYS A 14 -10.728 -11.970 -5.996 1.00 0.00 N ATOM 0 H LYS A 14 -7.249 -14.564 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.826 -15.068 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.760 -14.331 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.193 -15.685 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.995 -14.186 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.123 -14.019 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.558 -11.833 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.296 -12.096 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.099 -12.142 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.342 -10.638 -4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.254 -11.155 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.871 -12.121 -6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.327 -12.819 -6.041 1.00 0.00 H new ATOM 267 N ARG A 15 -5.677 -12.528 -5.072 1.00 0.00 N ATOM 268 CA ARG A 15 -5.056 -11.208 -5.171 1.00 0.00 C ATOM 269 C ARG A 15 -6.098 -10.116 -5.403 1.00 0.00 C ATOM 270 O ARG A 15 -6.745 -10.069 -6.446 1.00 0.00 O ATOM 271 CB ARG A 15 -3.890 -11.149 -6.171 1.00 0.00 C ATOM 272 CG ARG A 15 -4.293 -11.051 -7.643 1.00 0.00 C ATOM 273 CD ARG A 15 -3.062 -11.170 -8.550 1.00 0.00 C ATOM 274 NE ARG A 15 -3.428 -11.142 -9.972 1.00 0.00 N ATOM 275 CZ ARG A 15 -3.770 -10.045 -10.670 1.00 0.00 C ATOM 276 NH1 ARG A 15 -3.804 -8.839 -10.084 1.00 0.00 N ATOM 277 NH2 ARG A 15 -4.094 -10.158 -11.964 1.00 0.00 N ATOM 0 H ARG A 15 -5.814 -12.988 -5.972 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.597 -11.011 -4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.266 -10.290 -5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.275 -12.039 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.006 -11.840 -7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.795 -10.101 -7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.372 -10.353 -8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.535 -12.098 -8.328 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.422 -12.031 -10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.568 -8.745 -9.096 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.065 -8.016 -10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.081 -11.073 -12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.354 -9.329 -12.499 1.00 0.00 H new ATOM 291 N MET A 16 -6.241 -9.218 -4.431 1.00 0.00 N ATOM 292 CA MET A 16 -7.033 -8.017 -4.568 1.00 0.00 C ATOM 293 C MET A 16 -6.155 -6.842 -5.007 1.00 0.00 C ATOM 294 O MET A 16 -5.670 -6.052 -4.199 1.00 0.00 O ATOM 295 CB MET A 16 -7.812 -7.745 -3.289 1.00 0.00 C ATOM 296 CG MET A 16 -7.014 -7.692 -1.982 1.00 0.00 C ATOM 297 SD MET A 16 -7.787 -6.668 -0.704 1.00 0.00 S ATOM 298 CE MET A 16 -7.460 -5.001 -1.357 1.00 0.00 C ATOM 0 H MET A 16 -5.800 -9.314 -3.516 1.00 0.00 H new ATOM 0 HA MET A 16 -7.774 -8.157 -5.356 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.333 -6.794 -3.406 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.576 -8.516 -3.188 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.891 -8.705 -1.599 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.016 -7.307 -2.190 1.00 0.00 H new ATOM 0 HE1 MET A 16 -8.151 -4.291 -0.904 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.436 -4.712 -1.121 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.597 -5.001 -2.438 1.00 0.00 H new ATOM 308 N TYR A 17 -5.978 -6.723 -6.320 1.00 0.00 N ATOM 309 CA TYR A 17 -5.252 -5.636 -6.955 1.00 0.00 C ATOM 310 C TYR A 17 -6.183 -4.428 -7.012 1.00 0.00 C ATOM 311 O TYR A 17 -7.207 -4.480 -7.690 1.00 0.00 O ATOM 312 CB TYR A 17 -4.775 -6.100 -8.342 1.00 0.00 C ATOM 313 CG TYR A 17 -4.540 -5.019 -9.386 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.933 -3.795 -9.042 1.00 0.00 C ATOM 315 CD2 TYR A 17 -4.992 -5.223 -10.703 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.884 -2.751 -9.982 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.882 -4.199 -11.659 1.00 0.00 C ATOM 318 CZ TYR A 17 -4.345 -2.955 -11.293 1.00 0.00 C ATOM 319 OH TYR A 17 -4.268 -1.943 -12.205 1.00 0.00 O ATOM 0 H TYR A 17 -6.347 -7.401 -6.987 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.362 -5.349 -6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.846 -6.655 -8.213 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.512 -6.799 -8.738 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.507 -3.659 -8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.426 -6.172 -10.981 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.490 -1.787 -9.695 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.210 -4.369 -12.674 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.628 -2.248 -13.064 1.00 0.00 H new ATOM 329 N ALA A 18 -5.830 -3.356 -6.289 1.00 0.00 N ATOM 330 CA ALA A 18 -6.620 -2.143 -6.185 1.00 0.00 C ATOM 331 C ALA A 18 -5.821 -0.945 -6.691 1.00 0.00 C ATOM 332 O ALA A 18 -4.856 -0.513 -6.065 1.00 0.00 O ATOM 333 CB ALA A 18 -7.068 -1.943 -4.743 1.00 0.00 C ATOM 0 H ALA A 18 -4.964 -3.318 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.509 -2.235 -6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.661 -1.031 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.671 -2.794 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.193 -1.860 -4.098 1.00 0.00 H new ATOM 339 N ARG A 19 -6.254 -0.415 -7.835 1.00 0.00 N ATOM 340 CA ARG A 19 -5.664 0.731 -8.497 1.00 0.00 C ATOM 341 C ARG A 19 -6.406 1.981 -8.024 1.00 0.00 C ATOM 342 O ARG A 19 -7.566 2.176 -8.386 1.00 0.00 O ATOM 343 CB ARG A 19 -5.770 0.550 -10.022 1.00 0.00 C ATOM 344 CG ARG A 19 -4.540 1.074 -10.761 1.00 0.00 C ATOM 345 CD ARG A 19 -4.174 2.488 -10.309 1.00 0.00 C ATOM 346 NE ARG A 19 -3.500 3.254 -11.360 1.00 0.00 N ATOM 347 CZ ARG A 19 -2.369 2.938 -12.012 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.681 1.826 -11.726 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.922 3.756 -12.972 1.00 0.00 N ATOM 0 H ARG A 19 -7.056 -0.792 -8.339 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.607 0.831 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.904 -0.507 -10.251 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.657 1.069 -10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.697 0.405 -10.586 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.731 1.072 -11.834 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.078 3.014 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.527 2.431 -9.434 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.943 4.133 -11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.013 1.194 -10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.825 1.610 -12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.439 4.606 -13.199 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.065 3.530 -13.476 1.00 0.00 H new ATOM 363 N VAL A 20 -5.748 2.819 -7.214 1.00 0.00 N ATOM 364 CA VAL A 20 -6.352 4.020 -6.648 1.00 0.00 C ATOM 365 C VAL A 20 -5.978 5.215 -7.530 1.00 0.00 C ATOM 366 O VAL A 20 -4.815 5.616 -7.563 1.00 0.00 O ATOM 367 CB VAL A 20 -5.904 4.211 -5.188 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.777 5.266 -4.497 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.967 2.912 -4.373 1.00 0.00 C ATOM 0 H VAL A 20 -4.777 2.678 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.438 3.927 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.865 4.537 -5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.449 5.391 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.686 6.216 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.818 4.942 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.640 3.107 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.991 2.539 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.315 2.166 -4.827 1.00 0.00 H new ATOM 379 N TYR A 21 -6.960 5.772 -8.255 1.00 0.00 N ATOM 380 CA TYR A 21 -6.768 6.896 -9.169 1.00 0.00 C ATOM 381 C TYR A 21 -7.116 8.228 -8.508 1.00 0.00 C ATOM 382 O TYR A 21 -7.933 8.276 -7.590 1.00 0.00 O ATOM 383 CB TYR A 21 -7.603 6.716 -10.442 1.00 0.00 C ATOM 384 CG TYR A 21 -7.186 5.542 -11.306 1.00 0.00 C ATOM 385 CD1 TYR A 21 -6.181 5.710 -12.275 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.815 4.292 -11.165 1.00 0.00 C ATOM 387 CE1 TYR A 21 -5.833 4.643 -13.122 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.474 3.228 -12.016 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.488 3.406 -13.002 1.00 0.00 C ATOM 390 OH TYR A 21 -6.160 2.379 -13.838 1.00 0.00 O ATOM 0 H TYR A 21 -7.925 5.444 -8.218 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.711 6.913 -9.435 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.649 6.591 -10.161 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.539 7.628 -11.035 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.676 6.660 -12.369 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.563 4.150 -10.399 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.061 4.775 -13.866 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.969 2.274 -11.913 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.705 1.594 -13.621 1.00 0.00 H new ATOM 400 N GLY A 22 -6.508 9.306 -9.020 1.00 0.00 N ATOM 401 CA GLY A 22 -6.774 10.687 -8.650 1.00 0.00 C ATOM 402 C GLY A 22 -5.488 11.404 -8.270 1.00 0.00 C ATOM 403 O GLY A 22 -4.396 10.952 -8.612 1.00 0.00 O ATOM 0 H GLY A 22 -5.785 9.227 -9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.252 11.205 -9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.472 10.716 -7.813 1.00 0.00 H new ATOM 407 N LEU A 23 -5.624 12.501 -7.515 1.00 0.00 N ATOM 408 CA LEU A 23 -4.501 13.229 -6.942 1.00 0.00 C ATOM 409 C LEU A 23 -4.137 12.586 -5.598 1.00 0.00 C ATOM 410 O LEU A 23 -3.976 13.268 -4.587 1.00 0.00 O ATOM 411 CB LEU A 23 -4.862 14.716 -6.828 1.00 0.00 C ATOM 412 CG LEU A 23 -3.652 15.632 -6.568 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.837 15.877 -7.845 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.141 16.975 -6.020 1.00 0.00 C ATOM 0 H LEU A 23 -6.531 12.908 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.619 13.172 -7.580 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.354 15.032 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.583 14.844 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.006 15.135 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.993 16.528 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.469 14.926 -8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.470 16.352 -8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.286 17.625 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.804 17.445 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.682 16.812 -5.088 1.00 0.00 H new ATOM 426 N VAL A 24 -4.021 11.254 -5.600 1.00 0.00 N ATOM 427 CA VAL A 24 -3.698 10.438 -4.438 1.00 0.00 C ATOM 428 C VAL A 24 -2.213 10.075 -4.437 1.00 0.00 C ATOM 429 O VAL A 24 -1.863 8.938 -4.140 1.00 0.00 O ATOM 430 CB VAL A 24 -4.596 9.188 -4.419 1.00 0.00 C ATOM 431 CG1 VAL A 24 -6.038 9.585 -4.102 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.559 8.436 -5.756 1.00 0.00 C ATOM 0 H VAL A 24 -4.156 10.699 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.891 11.005 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.212 8.523 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.666 8.694 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.076 10.069 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.401 10.275 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.206 7.561 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.907 9.093 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.538 8.119 -5.967 1.00 0.00 H new ATOM 442 N GLN A 25 -1.342 11.035 -4.777 1.00 0.00 N ATOM 443 CA GLN A 25 0.089 10.801 -4.932 1.00 0.00 C ATOM 444 C GLN A 25 0.896 11.427 -3.791 1.00 0.00 C ATOM 445 O GLN A 25 2.023 11.880 -3.979 1.00 0.00 O ATOM 446 CB GLN A 25 0.508 11.287 -6.325 1.00 0.00 C ATOM 447 CG GLN A 25 1.375 10.234 -7.032 1.00 0.00 C ATOM 448 CD GLN A 25 0.622 8.936 -7.343 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.591 8.842 -7.171 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.347 7.918 -7.803 1.00 0.00 N ATOM 0 H GLN A 25 -1.619 12.001 -4.952 1.00 0.00 H new ATOM 0 HA GLN A 25 0.307 9.735 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.378 11.497 -6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.062 12.222 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.759 10.655 -7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.237 10.004 -6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.353 8.027 -7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.897 7.030 -8.023 1.00 0.00 H new ATOM 459 N GLY A 26 0.303 11.431 -2.596 1.00 0.00 N ATOM 460 CA GLY A 26 0.864 12.023 -1.395 1.00 0.00 C ATOM 461 C GLY A 26 -0.107 11.872 -0.226 1.00 0.00 C ATOM 462 O GLY A 26 -1.005 11.032 -0.276 1.00 0.00 O ATOM 0 H GLY A 26 -0.611 11.006 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.812 11.543 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.076 13.078 -1.566 1.00 0.00 H new ATOM 466 N VAL A 27 0.076 12.693 0.819 1.00 0.00 N ATOM 467 CA VAL A 27 -0.690 12.648 2.065 1.00 0.00 C ATOM 468 C VAL A 27 -0.318 11.386 2.860 1.00 0.00 C ATOM 469 O VAL A 27 0.593 10.659 2.468 1.00 0.00 O ATOM 470 CB VAL A 27 -2.199 12.885 1.782 1.00 0.00 C ATOM 471 CG1 VAL A 27 -3.143 11.700 2.034 1.00 0.00 C ATOM 472 CG2 VAL A 27 -2.716 14.092 2.569 1.00 0.00 C ATOM 0 H VAL A 27 0.784 13.428 0.816 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.425 13.470 2.730 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.223 13.055 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.166 11.994 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.852 10.862 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.082 11.402 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.775 14.239 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.582 13.915 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.160 14.983 2.276 1.00 0.00 H new ATOM 482 N GLY A 28 -0.992 11.124 3.987 1.00 0.00 N ATOM 483 CA GLY A 28 -0.803 9.915 4.785 1.00 0.00 C ATOM 484 C GLY A 28 -1.444 8.677 4.142 1.00 0.00 C ATOM 485 O GLY A 28 -2.187 7.951 4.799 1.00 0.00 O ATOM 0 H GLY A 28 -1.693 11.757 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.264 9.738 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.231 10.068 5.776 1.00 0.00 H new ATOM 489 N PHE A 29 -1.137 8.436 2.863 1.00 0.00 N ATOM 490 CA PHE A 29 -1.588 7.311 2.056 1.00 0.00 C ATOM 491 C PHE A 29 -0.616 6.130 2.121 1.00 0.00 C ATOM 492 O PHE A 29 0.430 6.230 2.761 1.00 0.00 O ATOM 493 CB PHE A 29 -1.757 7.786 0.605 1.00 0.00 C ATOM 494 CG PHE A 29 -0.498 7.935 -0.249 1.00 0.00 C ATOM 495 CD1 PHE A 29 0.750 8.319 0.289 1.00 0.00 C ATOM 496 CD2 PHE A 29 -0.611 7.758 -1.638 1.00 0.00 C ATOM 497 CE1 PHE A 29 1.831 8.615 -0.558 1.00 0.00 C ATOM 498 CE2 PHE A 29 0.485 8.006 -2.480 1.00 0.00 C ATOM 499 CZ PHE A 29 1.692 8.486 -1.947 1.00 0.00 C ATOM 0 H PHE A 29 -0.529 9.064 2.337 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.540 6.957 2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.423 7.087 0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.263 8.751 0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.874 8.386 1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.548 7.429 -2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.771 8.942 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.399 7.827 -3.542 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.508 8.754 -2.602 1.00 0.00 H new ATOM 509 N ARG A 30 -0.966 5.037 1.423 1.00 0.00 N ATOM 510 CA ARG A 30 -0.214 3.791 1.313 1.00 0.00 C ATOM 511 C ARG A 30 -0.049 3.128 2.677 1.00 0.00 C ATOM 512 O ARG A 30 -0.731 2.147 2.962 1.00 0.00 O ATOM 513 CB ARG A 30 1.118 3.978 0.569 1.00 0.00 C ATOM 514 CG ARG A 30 0.866 4.220 -0.924 1.00 0.00 C ATOM 515 CD ARG A 30 2.167 4.197 -1.729 1.00 0.00 C ATOM 516 NE ARG A 30 2.905 5.466 -1.639 1.00 0.00 N ATOM 517 CZ ARG A 30 4.125 5.619 -1.100 1.00 0.00 C ATOM 518 NH1 ARG A 30 4.624 4.695 -0.274 1.00 0.00 N ATOM 519 NH2 ARG A 30 4.857 6.698 -1.402 1.00 0.00 N ATOM 0 H ARG A 30 -1.836 5.005 0.891 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.797 3.105 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.664 4.820 0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.743 3.094 0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.188 3.457 -1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.372 5.182 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.800 3.386 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.941 3.985 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 30 2.453 6.298 -2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.077 3.864 -0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.552 4.820 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.488 7.402 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.784 6.816 -0.993 1.00 0.00 H new ATOM 533 N LYS A 31 0.828 3.686 3.518 1.00 0.00 N ATOM 534 CA LYS A 31 1.034 3.311 4.906 1.00 0.00 C ATOM 535 C LYS A 31 -0.297 2.989 5.595 1.00 0.00 C ATOM 536 O LYS A 31 -0.417 1.964 6.255 1.00 0.00 O ATOM 537 CB LYS A 31 1.737 4.471 5.623 1.00 0.00 C ATOM 538 CG LYS A 31 2.258 4.114 7.023 1.00 0.00 C ATOM 539 CD LYS A 31 3.385 3.068 6.994 1.00 0.00 C ATOM 540 CE LYS A 31 2.908 1.687 7.458 1.00 0.00 C ATOM 541 NZ LYS A 31 3.929 0.692 7.197 1.00 0.00 N ATOM 0 H LYS A 31 1.440 4.448 3.227 1.00 0.00 H new ATOM 0 HA LYS A 31 1.650 2.413 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.573 4.810 5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.043 5.307 5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.621 5.018 7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.433 3.735 7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.781 2.992 5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.203 3.401 7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.678 1.712 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.987 1.419 6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.595 -0.240 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.128 0.658 6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.798 0.943 7.711 1.00 0.00 H new ATOM 554 N PHE A 32 -1.304 3.856 5.420 1.00 0.00 N ATOM 555 CA PHE A 32 -2.637 3.661 5.983 1.00 0.00 C ATOM 556 C PHE A 32 -3.236 2.304 5.593 1.00 0.00 C ATOM 557 O PHE A 32 -3.710 1.556 6.448 1.00 0.00 O ATOM 558 CB PHE A 32 -3.554 4.798 5.513 1.00 0.00 C ATOM 559 CG PHE A 32 -4.976 4.796 6.056 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.316 4.133 7.255 1.00 0.00 C ATOM 561 CD2 PHE A 32 -5.960 5.548 5.387 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.618 4.219 7.772 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.253 5.666 5.929 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.587 4.994 7.116 1.00 0.00 C ATOM 0 H PHE A 32 -1.211 4.716 4.880 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.551 3.673 7.070 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.088 5.745 5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.605 4.767 4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.569 3.555 7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.721 6.036 4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.875 3.688 8.677 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.992 6.276 5.430 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.585 5.073 7.522 1.00 0.00 H new ATOM 574 N VAL A 33 -3.208 1.987 4.293 1.00 0.00 N ATOM 575 CA VAL A 33 -3.641 0.695 3.771 1.00 0.00 C ATOM 576 C VAL A 33 -2.821 -0.432 4.396 1.00 0.00 C ATOM 577 O VAL A 33 -3.370 -1.491 4.690 1.00 0.00 O ATOM 578 CB VAL A 33 -3.573 0.657 2.232 1.00 0.00 C ATOM 579 CG1 VAL A 33 -4.140 -0.670 1.712 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.357 1.807 1.583 1.00 0.00 C ATOM 0 H VAL A 33 -2.880 2.629 3.571 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.685 0.549 4.047 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.522 0.761 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.087 -0.687 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.557 -1.498 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.179 -0.770 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.277 1.735 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.405 1.743 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.946 2.760 1.914 1.00 0.00 H new ATOM 590 N GLN A 34 -1.527 -0.190 4.631 1.00 0.00 N ATOM 591 CA GLN A 34 -0.661 -1.158 5.279 1.00 0.00 C ATOM 592 C GLN A 34 -1.152 -1.442 6.697 1.00 0.00 C ATOM 593 O GLN A 34 -1.359 -2.603 6.997 1.00 0.00 O ATOM 594 CB GLN A 34 0.826 -0.785 5.192 1.00 0.00 C ATOM 595 CG GLN A 34 1.490 -1.288 3.906 1.00 0.00 C ATOM 596 CD GLN A 34 0.828 -0.690 2.671 1.00 0.00 C ATOM 597 OE1 GLN A 34 1.266 0.330 2.151 1.00 0.00 O ATOM 598 NE2 GLN A 34 -0.249 -1.321 2.211 1.00 0.00 N ATOM 0 H GLN A 34 -1.060 0.680 4.376 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.726 -2.096 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.928 0.299 5.248 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.351 -1.200 6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.549 -1.029 3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.429 -2.375 3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.581 -2.168 2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.743 -0.958 1.396 1.00 0.00 H new ATOM 607 N ILE A 35 -1.392 -0.441 7.554 1.00 0.00 N ATOM 608 CA ILE A 35 -1.859 -0.671 8.930 1.00 0.00 C ATOM 609 C ILE A 35 -2.971 -1.722 9.000 1.00 0.00 C ATOM 610 O ILE A 35 -2.874 -2.672 9.777 1.00 0.00 O ATOM 611 CB ILE A 35 -2.331 0.655 9.569 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.265 1.766 9.566 1.00 0.00 C ATOM 613 CG2 ILE A 35 -2.835 0.435 11.004 1.00 0.00 C ATOM 614 CD1 ILE A 35 0.110 1.311 10.058 1.00 0.00 C ATOM 0 H ILE A 35 -1.270 0.544 7.317 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.012 -1.060 9.495 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.150 0.997 8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.166 2.157 8.554 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.610 2.588 10.193 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.160 1.386 11.425 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.673 -0.262 10.992 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.030 0.024 11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.804 2.151 10.026 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.028 0.947 11.082 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.479 0.510 9.417 1.00 0.00 H new ATOM 626 N HIS A 36 -4.006 -1.565 8.172 1.00 0.00 N ATOM 627 CA HIS A 36 -5.144 -2.469 8.152 1.00 0.00 C ATOM 628 C HIS A 36 -4.738 -3.817 7.551 1.00 0.00 C ATOM 629 O HIS A 36 -4.999 -4.858 8.146 1.00 0.00 O ATOM 630 CB HIS A 36 -6.309 -1.816 7.403 1.00 0.00 C ATOM 631 CG HIS A 36 -7.006 -0.742 8.203 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.340 -0.894 8.582 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.539 0.450 8.700 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.625 0.201 9.292 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.578 1.035 9.393 1.00 0.00 N ATOM 0 H HIS A 36 -4.073 -0.803 7.497 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.481 -2.666 9.170 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.938 -1.384 6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.033 -2.584 7.131 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.545 0.853 8.572 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.591 0.394 9.736 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.555 1.928 9.886 1.00 0.00 H new ATOM 643 N ALA A 37 -4.082 -3.802 6.386 1.00 0.00 N ATOM 644 CA ALA A 37 -3.593 -4.998 5.709 1.00 0.00 C ATOM 645 C ALA A 37 -2.774 -5.912 6.621 1.00 0.00 C ATOM 646 O ALA A 37 -2.994 -7.118 6.672 1.00 0.00 O ATOM 647 CB ALA A 37 -2.733 -4.555 4.524 1.00 0.00 C ATOM 0 H ALA A 37 -3.874 -2.940 5.881 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.457 -5.578 5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.355 -5.433 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.336 -3.957 3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.895 -3.959 4.885 1.00 0.00 H new ATOM 653 N ILE A 38 -1.827 -5.308 7.335 1.00 0.00 N ATOM 654 CA ILE A 38 -0.944 -5.937 8.295 1.00 0.00 C ATOM 655 C ILE A 38 -1.794 -6.510 9.427 1.00 0.00 C ATOM 656 O ILE A 38 -1.613 -7.676 9.776 1.00 0.00 O ATOM 657 CB ILE A 38 0.133 -4.919 8.734 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.359 -4.982 7.801 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.593 -5.097 10.185 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.067 -4.673 6.326 1.00 0.00 C ATOM 0 H ILE A 38 -1.651 -4.307 7.248 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.394 -6.777 7.871 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.344 -3.942 8.665 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.109 -4.278 8.163 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.797 -5.978 7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.349 -4.348 10.422 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.259 -4.977 10.854 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.017 -6.093 10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.990 -4.742 5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.344 -5.391 5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.660 -3.666 6.239 1.00 0.00 H new ATOM 672 N ARG A 39 -2.744 -5.726 9.960 1.00 0.00 N ATOM 673 CA ARG A 39 -3.636 -6.198 11.010 1.00 0.00 C ATOM 674 C ARG A 39 -4.331 -7.499 10.596 1.00 0.00 C ATOM 675 O ARG A 39 -4.455 -8.428 11.392 1.00 0.00 O ATOM 676 CB ARG A 39 -4.670 -5.110 11.337 1.00 0.00 C ATOM 677 CG ARG A 39 -5.306 -5.402 12.694 1.00 0.00 C ATOM 678 CD ARG A 39 -6.468 -4.450 12.979 1.00 0.00 C ATOM 679 NE ARG A 39 -7.057 -4.730 14.295 1.00 0.00 N ATOM 680 CZ ARG A 39 -8.099 -4.069 14.824 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.687 -3.070 14.150 1.00 0.00 N ATOM 682 NH2 ARG A 39 -8.555 -4.413 16.036 1.00 0.00 N ATOM 0 H ARG A 39 -2.908 -4.761 9.674 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.046 -6.408 11.902 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.191 -4.131 11.351 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.437 -5.078 10.563 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.663 -6.432 12.717 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.555 -5.307 13.478 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.117 -3.419 12.944 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.228 -4.554 12.205 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.644 -5.482 14.847 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.343 -2.806 13.227 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.478 -2.574 14.561 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.111 -5.173 16.551 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.346 -3.915 16.444 1.00 0.00 H new ATOM 696 N LEU A 40 -4.782 -7.538 9.338 1.00 0.00 N ATOM 697 CA LEU A 40 -5.592 -8.609 8.774 1.00 0.00 C ATOM 698 C LEU A 40 -4.762 -9.691 8.070 1.00 0.00 C ATOM 699 O LEU A 40 -5.339 -10.595 7.466 1.00 0.00 O ATOM 700 CB LEU A 40 -6.622 -7.984 7.829 1.00 0.00 C ATOM 701 CG LEU A 40 -7.542 -6.990 8.560 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.331 -6.211 7.514 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.500 -7.690 9.532 1.00 0.00 C ATOM 0 H LEU A 40 -4.583 -6.797 8.666 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.095 -9.128 9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.106 -7.472 7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.225 -8.772 7.377 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.925 -6.320 9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.991 -5.500 8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.641 -5.673 6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.926 -6.903 6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.128 -6.946 10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.129 -8.390 8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.925 -8.232 10.283 1.00 0.00 H new ATOM 715 N GLY A 41 -3.424 -9.633 8.158 1.00 0.00 N ATOM 716 CA GLY A 41 -2.535 -10.645 7.604 1.00 0.00 C ATOM 717 C GLY A 41 -2.635 -10.732 6.080 1.00 0.00 C ATOM 718 O GLY A 41 -2.963 -11.788 5.540 1.00 0.00 O ATOM 0 H GLY A 41 -2.931 -8.870 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.507 -10.417 7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.777 -11.615 8.038 1.00 0.00 H new ATOM 722 N ILE A 42 -2.337 -9.621 5.399 1.00 0.00 N ATOM 723 CA ILE A 42 -2.340 -9.489 3.948 1.00 0.00 C ATOM 724 C ILE A 42 -0.904 -9.258 3.482 1.00 0.00 C ATOM 725 O ILE A 42 -0.159 -8.504 4.107 1.00 0.00 O ATOM 726 CB ILE A 42 -3.254 -8.316 3.550 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.716 -8.539 3.959 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.165 -7.910 2.074 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.421 -9.677 3.224 1.00 0.00 C ATOM 0 H ILE A 42 -2.076 -8.754 5.869 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.723 -10.392 3.473 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.860 -7.476 4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.752 -8.740 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.271 -7.616 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.842 -7.077 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.144 -7.608 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.446 -8.756 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.448 -9.758 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.423 -9.473 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.896 -10.613 3.414 1.00 0.00 H new ATOM 741 N LYS A 43 -0.537 -9.897 2.366 1.00 0.00 N ATOM 742 CA LYS A 43 0.730 -9.691 1.669 1.00 0.00 C ATOM 743 C LYS A 43 0.457 -8.835 0.433 1.00 0.00 C ATOM 744 O LYS A 43 -0.673 -8.800 -0.039 1.00 0.00 O ATOM 745 CB LYS A 43 1.364 -11.018 1.262 1.00 0.00 C ATOM 746 CG LYS A 43 1.330 -12.042 2.405 1.00 0.00 C ATOM 747 CD LYS A 43 2.195 -13.266 2.076 1.00 0.00 C ATOM 748 CE LYS A 43 2.131 -14.328 3.181 1.00 0.00 C ATOM 749 NZ LYS A 43 0.803 -14.906 3.262 1.00 0.00 N ATOM 0 H LYS A 43 -1.132 -10.590 1.913 1.00 0.00 H new ATOM 0 HA LYS A 43 1.432 -9.190 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.838 -11.422 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.397 -10.849 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.686 -11.577 3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.302 -12.357 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.863 -13.702 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.229 -12.952 1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.862 -15.111 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.397 -13.880 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.836 -15.772 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.153 -14.223 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.467 -15.139 2.306 1.00 0.00 H new ATOM 762 N GLY A 44 1.466 -8.144 -0.100 1.00 0.00 N ATOM 763 CA GLY A 44 1.232 -7.159 -1.150 1.00 0.00 C ATOM 764 C GLY A 44 2.452 -6.293 -1.439 1.00 0.00 C ATOM 765 O GLY A 44 3.572 -6.674 -1.106 1.00 0.00 O ATOM 0 H GLY A 44 2.442 -8.248 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.935 -7.674 -2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.399 -6.518 -0.860 1.00 0.00 H new ATOM 769 N TYR A 45 2.220 -5.117 -2.039 1.00 0.00 N ATOM 770 CA TYR A 45 3.196 -4.042 -2.157 1.00 0.00 C ATOM 771 C TYR A 45 2.486 -2.792 -2.685 1.00 0.00 C ATOM 772 O TYR A 45 1.630 -2.888 -3.565 1.00 0.00 O ATOM 773 CB TYR A 45 4.378 -4.427 -3.054 1.00 0.00 C ATOM 774 CG TYR A 45 5.574 -3.496 -3.020 1.00 0.00 C ATOM 775 CD1 TYR A 45 6.268 -3.300 -1.814 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.129 -3.005 -4.216 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.363 -2.421 -1.760 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.318 -2.256 -4.177 1.00 0.00 C ATOM 779 CZ TYR A 45 7.878 -1.879 -2.946 1.00 0.00 C ATOM 780 OH TYR A 45 8.919 -0.997 -2.905 1.00 0.00 O ATOM 0 H TYR A 45 1.322 -4.888 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 45 3.617 -3.841 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.712 -5.425 -2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.022 -4.490 -4.082 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.958 -3.828 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.644 -3.203 -5.160 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.806 -2.164 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.803 -1.969 -5.098 1.00 0.00 H new ATOM 0 HH TYR A 45 8.791 -0.375 -2.159 1.00 0.00 H new ATOM 790 N ALA A 46 2.818 -1.632 -2.112 1.00 0.00 N ATOM 791 CA ALA A 46 2.105 -0.377 -2.336 1.00 0.00 C ATOM 792 C ALA A 46 2.948 0.511 -3.243 1.00 0.00 C ATOM 793 O ALA A 46 3.756 1.303 -2.764 1.00 0.00 O ATOM 794 CB ALA A 46 1.793 0.299 -0.996 1.00 0.00 C ATOM 0 H ALA A 46 3.604 -1.540 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 46 1.151 -0.564 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.261 1.234 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.172 -0.362 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.724 0.506 -0.468 1.00 0.00 H new ATOM 800 N LYS A 47 2.779 0.345 -4.555 1.00 0.00 N ATOM 801 CA LYS A 47 3.659 0.907 -5.558 1.00 0.00 C ATOM 802 C LYS A 47 3.103 2.236 -6.045 1.00 0.00 C ATOM 803 O LYS A 47 2.048 2.293 -6.675 1.00 0.00 O ATOM 804 CB LYS A 47 3.830 -0.102 -6.699 1.00 0.00 C ATOM 805 CG LYS A 47 4.402 0.523 -7.980 1.00 0.00 C ATOM 806 CD LYS A 47 4.918 -0.520 -8.981 1.00 0.00 C ATOM 807 CE LYS A 47 3.811 -1.405 -9.576 1.00 0.00 C ATOM 808 NZ LYS A 47 3.511 -2.535 -8.715 1.00 0.00 N ATOM 0 H LYS A 47 2.009 -0.196 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 47 4.643 1.104 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.489 -0.905 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.864 -0.554 -6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.631 1.126 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.216 1.198 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.436 -0.008 -9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.652 -1.155 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.910 -0.811 -9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.120 -1.766 -10.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.686 -3.421 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.118 -2.500 -7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.513 -2.495 -8.425 1.00 0.00 H new ATOM 821 N ASN A 48 3.853 3.301 -5.770 1.00 0.00 N ATOM 822 CA ASN A 48 3.562 4.629 -6.266 1.00 0.00 C ATOM 823 C ASN A 48 4.161 4.796 -7.660 1.00 0.00 C ATOM 824 O ASN A 48 5.338 4.504 -7.856 1.00 0.00 O ATOM 825 CB ASN A 48 4.148 5.656 -5.297 1.00 0.00 C ATOM 826 CG ASN A 48 3.644 7.055 -5.619 1.00 0.00 C ATOM 827 OD1 ASN A 48 4.236 7.774 -6.419 1.00 0.00 O ATOM 828 ND2 ASN A 48 2.530 7.437 -4.995 1.00 0.00 N ATOM 0 H ASN A 48 4.689 3.257 -5.188 1.00 0.00 H new ATOM 0 HA ASN A 48 2.485 4.779 -6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.876 5.394 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.236 5.635 -5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.136 8.360 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.072 6.806 -4.338 1.00 0.00 H new ATOM 835 N LEU A 49 3.364 5.277 -8.620 1.00 0.00 N ATOM 836 CA LEU A 49 3.830 5.678 -9.935 1.00 0.00 C ATOM 837 C LEU A 49 3.893 7.210 -9.930 1.00 0.00 C ATOM 838 O LEU A 49 2.857 7.845 -10.114 1.00 0.00 O ATOM 839 CB LEU A 49 2.849 5.159 -10.991 1.00 0.00 C ATOM 840 CG LEU A 49 2.621 3.641 -10.913 1.00 0.00 C ATOM 841 CD1 LEU A 49 1.436 3.267 -11.807 1.00 0.00 C ATOM 842 CD2 LEU A 49 3.862 2.844 -11.328 1.00 0.00 C ATOM 0 H LEU A 49 2.359 5.398 -8.494 1.00 0.00 H new ATOM 0 HA LEU A 49 4.812 5.268 -10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.893 5.670 -10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.225 5.413 -11.982 1.00 0.00 H new ATOM 0 HG LEU A 49 2.410 3.385 -9.875 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.268 2.191 -11.757 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.543 3.790 -11.465 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.652 3.553 -12.836 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.650 1.777 -11.256 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.127 3.093 -12.356 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.693 3.094 -10.668 1.00 0.00 H new ATOM 854 N PRO A 50 5.059 7.833 -9.683 1.00 0.00 N ATOM 855 CA PRO A 50 5.150 9.237 -9.278 1.00 0.00 C ATOM 856 C PRO A 50 4.932 10.243 -10.419 1.00 0.00 C ATOM 857 O PRO A 50 5.352 11.393 -10.309 1.00 0.00 O ATOM 858 CB PRO A 50 6.543 9.368 -8.646 1.00 0.00 C ATOM 859 CG PRO A 50 7.360 8.350 -9.434 1.00 0.00 C ATOM 860 CD PRO A 50 6.367 7.204 -9.603 1.00 0.00 C ATOM 0 HA PRO A 50 4.347 9.487 -8.585 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.942 10.377 -8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.528 9.139 -7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.690 8.748 -10.394 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.254 8.038 -8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.581 6.628 -10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.419 6.512 -8.762 1.00 0.00 H new ATOM 868 N ASP A 51 4.235 9.839 -11.488 1.00 0.00 N ATOM 869 CA ASP A 51 3.744 10.712 -12.543 1.00 0.00 C ATOM 870 C ASP A 51 2.333 10.255 -12.928 1.00 0.00 C ATOM 871 O ASP A 51 1.999 10.194 -14.111 1.00 0.00 O ATOM 872 CB ASP A 51 4.709 10.670 -13.738 1.00 0.00 C ATOM 873 CG ASP A 51 6.100 11.170 -13.364 1.00 0.00 C ATOM 874 OD1 ASP A 51 7.026 10.368 -13.263 1.00 0.00 O ATOM 875 OD2 ASP A 51 6.214 12.514 -13.158 1.00 0.00 O ATOM 0 H ASP A 51 3.993 8.860 -11.641 1.00 0.00 H new ATOM 0 HA ASP A 51 3.694 11.747 -12.204 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.779 9.649 -14.112 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.310 11.280 -14.548 1.00 0.00 H new ATOM 881 N GLY A 52 1.504 9.917 -11.929 1.00 0.00 N ATOM 882 CA GLY A 52 0.160 9.424 -12.165 1.00 0.00 C ATOM 883 C GLY A 52 -0.539 9.038 -10.864 1.00 0.00 C ATOM 884 O GLY A 52 -0.721 9.879 -9.986 1.00 0.00 O ATOM 0 H GLY A 52 1.755 9.981 -10.943 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.423 10.189 -12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.201 8.558 -12.826 1.00 0.00 H new ATOM 888 N SER A 53 -0.968 7.772 -10.781 1.00 0.00 N ATOM 889 CA SER A 53 -1.841 7.222 -9.748 1.00 0.00 C ATOM 890 C SER A 53 -1.117 6.127 -8.958 1.00 0.00 C ATOM 891 O SER A 53 -0.064 5.652 -9.380 1.00 0.00 O ATOM 892 CB SER A 53 -3.123 6.710 -10.417 1.00 0.00 C ATOM 893 OG SER A 53 -2.865 6.113 -11.671 1.00 0.00 O ATOM 0 H SER A 53 -0.699 7.071 -11.471 1.00 0.00 H new ATOM 0 HA SER A 53 -2.111 7.994 -9.027 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.608 5.985 -9.763 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.820 7.538 -10.547 1.00 0.00 H new ATOM 0 HG SER A 53 -3.706 6.006 -12.162 1.00 0.00 H new ATOM 899 N VAL A 54 -1.649 5.754 -7.786 1.00 0.00 N ATOM 900 CA VAL A 54 -0.997 4.830 -6.859 1.00 0.00 C ATOM 901 C VAL A 54 -1.636 3.441 -6.948 1.00 0.00 C ATOM 902 O VAL A 54 -2.849 3.293 -6.802 1.00 0.00 O ATOM 903 CB VAL A 54 -0.984 5.414 -5.434 1.00 0.00 C ATOM 904 CG1 VAL A 54 -2.372 5.578 -4.812 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.147 4.553 -4.483 1.00 0.00 C ATOM 0 H VAL A 54 -2.553 6.091 -7.455 1.00 0.00 H new ATOM 0 HA VAL A 54 0.047 4.703 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.545 6.404 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.275 5.995 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.970 6.250 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.862 4.606 -4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.160 4.994 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.565 3.547 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.880 4.504 -4.845 1.00 0.00 H new ATOM 915 N GLU A 55 -0.802 2.427 -7.208 1.00 0.00 N ATOM 916 CA GLU A 55 -1.212 1.039 -7.351 1.00 0.00 C ATOM 917 C GLU A 55 -0.963 0.291 -6.046 1.00 0.00 C ATOM 918 O GLU A 55 0.169 0.265 -5.566 1.00 0.00 O ATOM 919 CB GLU A 55 -0.413 0.395 -8.491 1.00 0.00 C ATOM 920 CG GLU A 55 -0.716 -1.107 -8.584 1.00 0.00 C ATOM 921 CD GLU A 55 -0.327 -1.695 -9.937 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.562 -2.542 -9.996 1.00 0.00 O ATOM 923 OE2 GLU A 55 -1.026 -1.232 -11.012 1.00 0.00 O ATOM 0 H GLU A 55 0.202 2.561 -7.327 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.276 0.991 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.661 0.880 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.654 0.546 -8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.179 -1.633 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.779 -1.272 -8.411 1.00 0.00 H new ATOM 931 N VAL A 56 -1.999 -0.357 -5.503 1.00 0.00 N ATOM 932 CA VAL A 56 -1.862 -1.247 -4.365 1.00 0.00 C ATOM 933 C VAL A 56 -2.067 -2.680 -4.841 1.00 0.00 C ATOM 934 O VAL A 56 -3.169 -3.040 -5.249 1.00 0.00 O ATOM 935 CB VAL A 56 -2.868 -0.875 -3.267 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.663 -1.802 -2.065 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.653 0.572 -2.804 1.00 0.00 C ATOM 0 H VAL A 56 -2.955 -0.273 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.865 -1.151 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.876 -0.979 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.374 -1.544 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.821 -2.836 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.648 -1.687 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.376 0.816 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.643 0.681 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.787 1.248 -3.649 1.00 0.00 H new ATOM 947 N VAL A 57 -1.019 -3.503 -4.744 1.00 0.00 N ATOM 948 CA VAL A 57 -1.146 -4.946 -4.841 1.00 0.00 C ATOM 949 C VAL A 57 -1.345 -5.465 -3.417 1.00 0.00 C ATOM 950 O VAL A 57 -0.668 -5.005 -2.499 1.00 0.00 O ATOM 951 CB VAL A 57 0.092 -5.554 -5.518 1.00 0.00 C ATOM 952 CG1 VAL A 57 -0.135 -7.054 -5.740 1.00 0.00 C ATOM 953 CG2 VAL A 57 0.370 -4.886 -6.874 1.00 0.00 C ATOM 0 H VAL A 57 -0.063 -3.181 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.995 -5.234 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 57 0.950 -5.390 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.742 -7.488 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.302 -7.543 -4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.007 -7.200 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.252 -5.338 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.488 -5.025 -7.531 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.544 -3.820 -6.726 1.00 0.00 H new ATOM 963 N ALA A 58 -2.300 -6.382 -3.228 1.00 0.00 N ATOM 964 CA ALA A 58 -2.694 -6.907 -1.928 1.00 0.00 C ATOM 965 C ALA A 58 -3.377 -8.257 -2.131 1.00 0.00 C ATOM 966 O ALA A 58 -4.015 -8.445 -3.161 1.00 0.00 O ATOM 967 CB ALA A 58 -3.656 -5.926 -1.259 1.00 0.00 C ATOM 0 H ALA A 58 -2.831 -6.787 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.819 -7.035 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.954 -6.315 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.162 -4.963 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.540 -5.799 -1.885 1.00 0.00 H new ATOM 973 N GLU A 59 -3.215 -9.197 -1.191 1.00 0.00 N ATOM 974 CA GLU A 59 -3.671 -10.573 -1.347 1.00 0.00 C ATOM 975 C GLU A 59 -4.316 -11.088 -0.068 1.00 0.00 C ATOM 976 O GLU A 59 -3.644 -11.125 0.962 1.00 0.00 O ATOM 977 CB GLU A 59 -2.464 -11.477 -1.652 1.00 0.00 C ATOM 978 CG GLU A 59 -1.842 -11.252 -3.037 1.00 0.00 C ATOM 979 CD GLU A 59 -0.348 -10.957 -2.946 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.434 -11.844 -2.610 1.00 0.00 O ATOM 981 OE2 GLU A 59 0.010 -9.682 -3.259 1.00 0.00 O ATOM 0 H GLU A 59 -2.760 -9.017 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.400 -10.592 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.700 -11.312 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.775 -12.519 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.001 -12.136 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.347 -10.422 -3.532 1.00 0.00 H new ATOM 989 N GLY A 60 -5.578 -11.536 -0.124 1.00 0.00 N ATOM 990 CA GLY A 60 -6.248 -12.063 1.053 1.00 0.00 C ATOM 991 C GLY A 60 -7.236 -13.180 0.751 1.00 0.00 C ATOM 992 O GLY A 60 -7.672 -13.374 -0.384 1.00 0.00 O ATOM 0 H GLY A 60 -6.146 -11.540 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.497 -12.434 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.775 -11.251 1.554 1.00 0.00 H new ATOM 996 N TYR A 61 -7.620 -13.874 1.829 1.00 0.00 N ATOM 997 CA TYR A 61 -8.812 -14.694 1.912 1.00 0.00 C ATOM 998 C TYR A 61 -10.030 -13.770 1.846 1.00 0.00 C ATOM 999 O TYR A 61 -9.877 -12.552 1.883 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.772 -15.449 3.243 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.674 -16.489 3.357 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -6.413 -16.124 3.865 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -7.931 -17.833 3.027 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -5.410 -17.094 4.028 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -6.929 -18.804 3.199 1.00 0.00 C ATOM 1006 CZ TYR A 61 -5.663 -18.432 3.682 1.00 0.00 C ATOM 1007 OH TYR A 61 -4.681 -19.370 3.812 1.00 0.00 O ATOM 0 H TYR A 61 -7.081 -13.873 2.695 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.868 -15.413 1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.652 -14.726 4.050 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.734 -15.940 3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.216 -15.096 4.130 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.899 -18.118 2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.444 -16.811 4.419 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.133 -19.837 2.960 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.083 -19.118 4.547 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.245 -14.319 1.756 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.428 -13.498 1.520 1.00 0.00 C ATOM 1019 C GLU A 62 -12.954 -12.802 2.778 1.00 0.00 C ATOM 1020 O GLU A 62 -13.587 -11.751 2.668 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.540 -14.295 0.854 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.070 -14.977 -0.437 1.00 0.00 C ATOM 1023 CD GLU A 62 -14.248 -15.541 -1.227 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -14.579 -15.003 -2.281 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.862 -16.632 -0.690 1.00 0.00 O ATOM 0 H GLU A 62 -11.431 -15.318 1.842 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.100 -12.711 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.910 -15.050 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.376 -13.632 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.527 -14.260 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.374 -15.780 -0.194 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.691 -13.351 3.969 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.011 -12.672 5.210 1.00 0.00 C ATOM 1035 C GLU A 63 -12.138 -11.422 5.319 1.00 0.00 C ATOM 1036 O GLU A 63 -12.656 -10.318 5.479 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.810 -13.629 6.388 1.00 0.00 C ATOM 1038 CG GLU A 63 -13.769 -14.822 6.303 1.00 0.00 C ATOM 1039 CD GLU A 63 -13.669 -15.703 7.544 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -14.639 -15.810 8.290 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -12.471 -16.324 7.737 1.00 0.00 O ATOM 0 H GLU A 63 -12.256 -14.266 4.090 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.055 -12.360 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.780 -13.987 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.971 -13.096 7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.792 -14.462 6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.540 -15.413 5.416 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.819 -11.589 5.161 1.00 0.00 N ATOM 1050 CA ALA A 64 -9.872 -10.487 5.174 1.00 0.00 C ATOM 1051 C ALA A 64 -9.982 -9.612 3.924 1.00 0.00 C ATOM 1052 O ALA A 64 -9.471 -8.492 3.939 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.454 -11.037 5.345 1.00 0.00 C ATOM 0 H ALA A 64 -10.385 -12.501 5.020 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.112 -9.841 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.742 -10.211 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.387 -11.585 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.221 -11.707 4.517 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.659 -10.082 2.864 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.892 -9.263 1.688 1.00 0.00 C ATOM 1061 C LEU A 65 -11.819 -8.127 2.088 1.00 0.00 C ATOM 1062 O LEU A 65 -11.377 -6.985 2.144 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.457 -10.098 0.543 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.770 -9.313 -0.730 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -10.613 -8.414 -1.163 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -12.033 -10.347 -1.819 1.00 0.00 C ATOM 0 H LEU A 65 -11.049 -11.023 2.808 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.955 -8.847 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.744 -10.886 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.369 -10.587 0.885 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.624 -8.660 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.888 -7.879 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.394 -7.697 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.730 -9.024 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.263 -9.839 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.148 -10.969 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.877 -10.974 -1.530 1.00 0.00 H new ATOM 1078 N SER A 66 -13.078 -8.455 2.399 1.00 0.00 N ATOM 1079 CA SER A 66 -14.122 -7.500 2.740 1.00 0.00 C ATOM 1080 C SER A 66 -13.656 -6.445 3.746 1.00 0.00 C ATOM 1081 O SER A 66 -13.937 -5.264 3.566 1.00 0.00 O ATOM 1082 CB SER A 66 -15.344 -8.263 3.265 1.00 0.00 C ATOM 1083 OG SER A 66 -15.038 -8.977 4.447 1.00 0.00 O ATOM 0 H SER A 66 -13.401 -9.422 2.419 1.00 0.00 H new ATOM 0 HA SER A 66 -14.387 -6.952 1.836 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.156 -7.562 3.461 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.698 -8.955 2.501 1.00 0.00 H new ATOM 0 HG SER A 66 -14.077 -9.168 4.474 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.931 -6.876 4.784 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.421 -6.025 5.842 1.00 0.00 C ATOM 1091 C LYS A 67 -11.414 -5.000 5.307 1.00 0.00 C ATOM 1092 O LYS A 67 -11.539 -3.811 5.599 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.813 -6.935 6.912 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.905 -7.775 7.587 1.00 0.00 C ATOM 1095 CD LYS A 67 -12.256 -8.884 8.411 1.00 0.00 C ATOM 1096 CE LYS A 67 -13.321 -9.789 9.035 1.00 0.00 C ATOM 1097 NZ LYS A 67 -12.689 -10.862 9.779 1.00 0.00 N ATOM 0 H LYS A 67 -12.681 -7.857 4.906 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.228 -5.436 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.069 -7.591 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.296 -6.333 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.521 -7.144 8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.565 -8.205 6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.595 -9.475 7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.638 -8.447 9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.963 -9.206 9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.960 -10.204 8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.420 -11.471 10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.095 -11.426 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.098 -10.460 10.534 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.427 -5.440 4.515 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.413 -4.559 3.950 1.00 0.00 C ATOM 1112 C LEU A 68 -9.966 -3.743 2.772 1.00 0.00 C ATOM 1113 O LEU A 68 -9.470 -2.652 2.499 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.188 -5.409 3.575 1.00 0.00 C ATOM 1115 CG LEU A 68 -6.868 -4.663 3.301 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.615 -4.403 1.819 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.691 -3.357 4.075 1.00 0.00 C ATOM 0 H LEU A 68 -10.315 -6.419 4.252 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.106 -3.818 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.012 -6.121 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.439 -5.989 2.687 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.122 -5.365 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.669 -3.875 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.571 -5.352 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.424 -3.796 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.733 -2.907 3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.497 -2.670 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.717 -3.562 5.145 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.009 -4.230 2.088 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.633 -3.522 0.995 1.00 0.00 C ATOM 1131 C LEU A 69 -12.459 -2.356 1.536 1.00 0.00 C ATOM 1132 O LEU A 69 -12.184 -1.205 1.196 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.459 -4.516 0.163 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.321 -4.399 -1.357 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -12.979 -3.129 -1.887 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.874 -4.491 -1.853 1.00 0.00 C ATOM 0 H LEU A 69 -11.437 -5.134 2.289 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.883 -3.088 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.176 -5.527 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.510 -4.391 0.423 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.847 -5.265 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.860 -3.082 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.040 -3.138 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.508 -2.258 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.855 -4.400 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.286 -3.686 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.450 -5.452 -1.562 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.449 -2.646 2.393 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.395 -1.658 2.901 1.00 0.00 C ATOM 1150 C GLU A 70 -13.695 -0.508 3.630 1.00 0.00 C ATOM 1151 O GLU A 70 -14.157 0.625 3.541 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.481 -2.338 3.752 1.00 0.00 C ATOM 1153 CG GLU A 70 -15.030 -2.748 5.163 1.00 0.00 C ATOM 1154 CD GLU A 70 -15.076 -1.604 6.178 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -14.080 -1.359 6.853 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.252 -0.921 6.266 1.00 0.00 O ATOM 0 H GLU A 70 -13.612 -3.586 2.753 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.895 -1.198 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.331 -1.661 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.833 -3.225 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.664 -3.561 5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.013 -3.136 5.112 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.576 -0.800 4.309 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.666 0.175 4.902 1.00 0.00 C ATOM 1166 C ARG A 71 -11.459 1.368 3.974 1.00 0.00 C ATOM 1167 O ARG A 71 -11.652 2.507 4.390 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.346 -0.533 5.261 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.053 0.294 5.158 1.00 0.00 C ATOM 1170 CD ARG A 71 -9.069 1.653 5.878 1.00 0.00 C ATOM 1171 NE ARG A 71 -8.865 2.781 4.951 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.774 2.994 4.192 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -6.715 2.182 4.263 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -7.737 4.012 3.324 1.00 0.00 N ATOM 0 H ARG A 71 -12.273 -1.762 4.463 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.098 0.580 5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.429 -0.904 6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.243 -1.403 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.232 -0.299 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.836 0.465 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.021 1.777 6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.290 1.667 6.640 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.620 3.463 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.725 1.385 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.897 2.359 3.680 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.540 4.634 3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.906 4.165 2.753 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.049 1.114 2.728 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.595 2.175 1.842 1.00 0.00 C ATOM 1190 C ILE A 72 -11.781 2.997 1.332 1.00 0.00 C ATOM 1191 O ILE A 72 -11.768 4.217 1.480 1.00 0.00 O ATOM 1192 CB ILE A 72 -9.653 1.643 0.744 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.565 0.711 1.318 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -8.951 2.833 0.078 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -7.756 0.003 0.228 1.00 0.00 C ATOM 0 H ILE A 72 -11.024 0.181 2.316 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.978 2.872 2.408 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.256 1.078 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.890 1.292 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.034 -0.036 1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.281 2.470 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.696 3.495 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.376 3.381 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.006 -0.639 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.423 -0.603 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.262 0.746 -0.398 1.00 0.00 H new ATOM 1207 N LYS A 73 -12.811 2.353 0.764 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.008 3.057 0.306 1.00 0.00 C ATOM 1209 C LYS A 73 -14.606 3.886 1.448 1.00 0.00 C ATOM 1210 O LYS A 73 -14.798 5.092 1.306 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.071 2.083 -0.230 1.00 0.00 C ATOM 1212 CG LYS A 73 -14.707 1.398 -1.557 1.00 0.00 C ATOM 1213 CD LYS A 73 -13.787 0.187 -1.373 1.00 0.00 C ATOM 1214 CE LYS A 73 -12.357 0.454 -1.863 1.00 0.00 C ATOM 1215 NZ LYS A 73 -12.259 0.180 -3.283 1.00 0.00 N ATOM 0 H LYS A 73 -12.835 1.345 0.613 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.707 3.715 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.251 1.315 0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.007 2.626 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.621 1.080 -2.058 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.220 2.121 -2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.761 -0.088 -0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.200 -0.664 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.084 1.490 -1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.653 -0.172 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.270 0.281 -3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.582 -0.790 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.854 0.852 -3.808 1.00 0.00 H new ATOM 1228 N GLN A 74 -14.879 3.230 2.584 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.483 3.825 3.770 1.00 0.00 C ATOM 1230 C GLN A 74 -14.391 4.350 4.715 1.00 0.00 C ATOM 1231 O GLN A 74 -14.478 4.189 5.931 1.00 0.00 O ATOM 1232 CB GLN A 74 -16.381 2.766 4.430 1.00 0.00 C ATOM 1233 CG GLN A 74 -17.418 3.358 5.390 1.00 0.00 C ATOM 1234 CD GLN A 74 -18.217 2.240 6.055 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -17.841 1.754 7.121 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -19.315 1.819 5.425 1.00 0.00 N ATOM 0 H GLN A 74 -14.676 2.237 2.700 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.099 4.685 3.507 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.897 2.203 3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.755 2.059 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.920 3.960 6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.090 4.022 4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -19.593 2.248 4.542 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -19.877 1.068 5.826 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.355 4.982 4.156 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.256 5.551 4.912 1.00 0.00 C ATOM 1247 C GLY A 75 -11.181 5.987 3.922 1.00 0.00 C ATOM 1248 O GLY A 75 -10.173 5.295 3.799 1.00 0.00 O ATOM 0 H GLY A 75 -13.263 5.110 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.599 6.401 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.855 4.818 5.612 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.395 7.091 3.187 1.00 0.00 N ATOM 1253 CA PRO A 76 -10.544 7.510 2.080 1.00 0.00 C ATOM 1254 C PRO A 76 -9.130 7.867 2.557 1.00 0.00 C ATOM 1255 O PRO A 76 -8.917 8.071 3.752 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.266 8.705 1.441 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.127 9.260 2.572 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.517 8.002 3.345 1.00 0.00 C ATOM 0 HA PRO A 76 -10.397 6.709 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.559 9.450 1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.874 8.396 0.590 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.574 9.963 3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.001 9.790 2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.696 8.226 4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.435 7.567 2.951 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.150 7.944 1.640 1.00 0.00 N ATOM 1267 CA PRO A 77 -6.754 8.201 1.976 1.00 0.00 C ATOM 1268 C PRO A 77 -6.496 9.610 2.529 1.00 0.00 C ATOM 1269 O PRO A 77 -5.387 9.871 2.985 1.00 0.00 O ATOM 1270 CB PRO A 77 -5.973 7.954 0.681 1.00 0.00 C ATOM 1271 CG PRO A 77 -6.999 8.256 -0.411 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.301 7.747 0.205 1.00 0.00 C ATOM 0 HA PRO A 77 -6.438 7.544 2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.102 8.605 0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.610 6.928 0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.047 9.321 -0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.763 7.741 -1.342 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.160 8.298 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.464 6.696 -0.033 1.00 0.00 H new ATOM 1280 N ALA A 78 -7.499 10.499 2.480 1.00 0.00 N ATOM 1281 CA ALA A 78 -7.449 11.907 2.871 1.00 0.00 C ATOM 1282 C ALA A 78 -6.790 12.758 1.782 1.00 0.00 C ATOM 1283 O ALA A 78 -6.257 13.827 2.065 1.00 0.00 O ATOM 1284 CB ALA A 78 -6.812 12.108 4.254 1.00 0.00 C ATOM 0 H ALA A 78 -8.424 10.232 2.144 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.476 12.257 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.799 13.170 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.393 11.571 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.791 11.725 4.244 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.861 12.282 0.533 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.409 12.956 -0.670 1.00 0.00 C ATOM 1292 C ALA A 79 -7.560 12.946 -1.678 1.00 0.00 C ATOM 1293 O ALA A 79 -8.559 12.252 -1.476 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.192 12.217 -1.226 1.00 0.00 C ATOM 0 H ALA A 79 -7.259 11.364 0.334 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.120 13.986 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.845 12.716 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.395 12.218 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.467 11.189 -1.462 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.418 13.714 -2.764 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.424 13.820 -3.816 1.00 0.00 C ATOM 1302 C GLU A 80 -8.438 12.554 -4.682 1.00 0.00 C ATOM 1303 O GLU A 80 -7.927 12.537 -5.801 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.212 15.116 -4.629 1.00 0.00 C ATOM 1305 CG GLU A 80 -9.213 16.208 -4.232 1.00 0.00 C ATOM 1306 CD GLU A 80 -10.638 15.841 -4.648 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -10.910 15.742 -5.842 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -11.524 15.633 -3.633 1.00 0.00 O ATOM 0 H GLU A 80 -6.590 14.284 -2.935 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.415 13.891 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.196 15.480 -4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.314 14.899 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.176 16.362 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.928 17.151 -4.699 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.061 11.495 -4.152 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.330 10.255 -4.857 1.00 0.00 C ATOM 1318 C VAL A 81 -10.405 10.479 -5.916 1.00 0.00 C ATOM 1319 O VAL A 81 -11.505 10.941 -5.620 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.658 9.138 -3.847 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.935 9.371 -3.028 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.744 7.778 -4.554 1.00 0.00 C ATOM 0 H VAL A 81 -9.399 11.486 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.444 9.921 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.833 9.149 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.086 8.536 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.837 10.294 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.789 9.449 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.976 7.003 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.528 7.810 -5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.789 7.554 -5.030 1.00 0.00 H new ATOM 1332 N GLU A 82 -10.046 10.165 -7.163 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.903 10.264 -8.325 1.00 0.00 C ATOM 1334 C GLU A 82 -11.760 9.004 -8.384 1.00 0.00 C ATOM 1335 O GLU A 82 -12.985 9.096 -8.354 1.00 0.00 O ATOM 1336 CB GLU A 82 -10.025 10.451 -9.571 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.838 10.537 -10.869 1.00 0.00 C ATOM 1338 CD GLU A 82 -11.783 11.736 -10.875 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -12.996 11.551 -10.815 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -11.188 12.961 -10.948 1.00 0.00 O ATOM 0 H GLU A 82 -9.112 9.823 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.572 11.123 -8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.433 11.359 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.323 9.620 -9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.158 10.607 -11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.414 9.621 -10.997 1.00 0.00 H new ATOM 1348 N LYS A 83 -11.114 7.831 -8.442 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.813 6.552 -8.416 1.00 0.00 C ATOM 1350 C LYS A 83 -10.857 5.418 -8.057 1.00 0.00 C ATOM 1351 O LYS A 83 -9.755 5.353 -8.585 1.00 0.00 O ATOM 1352 CB LYS A 83 -12.505 6.278 -9.764 1.00 0.00 C ATOM 1353 CG LYS A 83 -11.532 6.213 -10.951 1.00 0.00 C ATOM 1354 CD LYS A 83 -12.293 6.095 -12.272 1.00 0.00 C ATOM 1355 CE LYS A 83 -11.307 6.037 -13.443 1.00 0.00 C ATOM 1356 NZ LYS A 83 -12.031 5.980 -14.698 1.00 0.00 N ATOM 0 H LYS A 83 -10.099 7.749 -8.508 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.582 6.603 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.049 5.336 -9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.241 7.060 -9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.908 7.106 -10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.864 5.359 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.914 5.199 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.963 6.946 -12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.659 6.913 -13.427 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.664 5.163 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.355 5.941 -15.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.632 5.131 -14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.627 6.827 -14.794 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.274 4.502 -7.180 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.549 3.261 -6.949 1.00 0.00 C ATOM 1371 C VAL A 84 -11.199 2.152 -7.777 1.00 0.00 C ATOM 1372 O VAL A 84 -12.056 1.412 -7.298 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.393 2.983 -5.445 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.687 3.132 -4.639 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.721 1.624 -5.202 1.00 0.00 C ATOM 0 H VAL A 84 -12.118 4.603 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.518 3.328 -7.298 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.737 3.766 -5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.488 2.918 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.062 4.151 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.433 2.433 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.623 1.453 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.329 0.834 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.733 1.619 -5.662 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.790 2.064 -9.047 1.00 0.00 N ATOM 1386 CA ASP A 85 -11.302 1.098 -10.004 1.00 0.00 C ATOM 1387 C ASP A 85 -10.466 -0.169 -9.862 1.00 0.00 C ATOM 1388 O ASP A 85 -9.586 -0.441 -10.677 1.00 0.00 O ATOM 1389 CB ASP A 85 -11.245 1.702 -11.414 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.695 0.714 -12.488 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -12.780 0.148 -12.374 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -10.832 0.528 -13.527 1.00 0.00 O ATOM 0 H ASP A 85 -10.078 2.680 -9.439 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.346 0.845 -9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.877 2.589 -11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.226 2.027 -11.627 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.727 -0.922 -8.788 1.00 0.00 N ATOM 1399 CA TYR A 86 -9.976 -2.125 -8.476 1.00 0.00 C ATOM 1400 C TYR A 86 -10.294 -3.241 -9.474 1.00 0.00 C ATOM 1401 O TYR A 86 -11.320 -3.201 -10.154 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.234 -2.564 -7.025 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.631 -3.088 -6.747 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.657 -2.206 -6.363 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.896 -4.469 -6.846 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.946 -2.699 -6.098 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -13.184 -4.962 -6.575 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.211 -4.076 -6.206 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.463 -4.558 -5.954 1.00 0.00 O ATOM 0 H TYR A 86 -11.465 -0.708 -8.117 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.913 -1.903 -8.567 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.514 -3.339 -6.763 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.043 -1.717 -6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.454 -1.149 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.107 -5.150 -7.131 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.735 -2.019 -5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.384 -6.021 -6.650 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.470 -5.530 -6.077 1.00 0.00 H new ATOM 1419 N SER A 87 -9.404 -4.237 -9.556 1.00 0.00 N ATOM 1420 CA SER A 87 -9.552 -5.370 -10.454 1.00 0.00 C ATOM 1421 C SER A 87 -8.969 -6.618 -9.799 1.00 0.00 C ATOM 1422 O SER A 87 -7.844 -7.027 -10.079 1.00 0.00 O ATOM 1423 CB SER A 87 -8.894 -5.076 -11.802 1.00 0.00 C ATOM 1424 OG SER A 87 -9.416 -3.894 -12.373 1.00 0.00 O ATOM 0 H SER A 87 -8.555 -4.272 -8.992 1.00 0.00 H new ATOM 0 HA SER A 87 -10.610 -5.548 -10.645 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.817 -4.976 -11.671 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.056 -5.914 -12.480 1.00 0.00 H new ATOM 0 HG SER A 87 -8.979 -3.726 -13.234 1.00 0.00 H new ATOM 1430 N PHE A 88 -9.767 -7.211 -8.912 1.00 0.00 N ATOM 1431 CA PHE A 88 -9.429 -8.376 -8.127 1.00 0.00 C ATOM 1432 C PHE A 88 -9.415 -9.664 -8.964 1.00 0.00 C ATOM 1433 O PHE A 88 -10.262 -9.856 -9.834 1.00 0.00 O ATOM 1434 CB PHE A 88 -10.349 -8.414 -6.899 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.841 -8.699 -7.039 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -12.543 -8.585 -8.258 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.555 -9.020 -5.869 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -13.918 -8.875 -8.314 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -13.928 -9.312 -5.924 1.00 0.00 C ATOM 1440 CZ PHE A 88 -14.608 -9.250 -7.150 1.00 0.00 C ATOM 0 H PHE A 88 -10.708 -6.869 -8.719 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.402 -8.305 -7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -9.944 -9.165 -6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.254 -7.449 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.022 -8.274 -9.151 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.042 -9.042 -4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.445 -8.809 -9.255 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.460 -9.584 -5.024 1.00 0.00 H new ATOM 0 HZ PHE A 88 -15.660 -9.490 -7.198 1.00 0.00 H new ATOM 1450 N SER A 89 -8.407 -10.520 -8.743 1.00 0.00 N ATOM 1451 CA SER A 89 -8.145 -11.710 -9.551 1.00 0.00 C ATOM 1452 C SER A 89 -7.611 -12.853 -8.682 1.00 0.00 C ATOM 1453 O SER A 89 -7.451 -12.691 -7.476 1.00 0.00 O ATOM 1454 CB SER A 89 -7.124 -11.372 -10.644 1.00 0.00 C ATOM 1455 OG SER A 89 -7.439 -10.161 -11.297 1.00 0.00 O ATOM 0 H SER A 89 -7.740 -10.398 -7.981 1.00 0.00 H new ATOM 0 HA SER A 89 -9.081 -12.033 -10.007 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.130 -11.300 -10.203 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.091 -12.181 -11.374 1.00 0.00 H new ATOM 0 HG SER A 89 -6.767 -9.976 -11.986 1.00 0.00 H new ATOM 1461 N GLU A 90 -7.278 -13.994 -9.303 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.604 -15.099 -8.627 1.00 0.00 C ATOM 1463 C GLU A 90 -5.135 -14.751 -8.381 1.00 0.00 C ATOM 1464 O GLU A 90 -4.554 -13.951 -9.115 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.800 -16.421 -9.389 1.00 0.00 C ATOM 1466 CG GLU A 90 -6.028 -16.557 -10.712 1.00 0.00 C ATOM 1467 CD GLU A 90 -4.536 -16.822 -10.516 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -3.714 -16.056 -11.015 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -4.219 -17.918 -9.772 1.00 0.00 O ATOM 0 H GLU A 90 -7.471 -14.171 -10.289 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.060 -15.252 -7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.507 -17.242 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.863 -16.543 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.461 -17.370 -11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.155 -15.644 -11.294 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.536 -15.347 -7.344 1.00 0.00 N ATOM 1478 CA TYR A 91 -3.168 -15.088 -6.948 1.00 0.00 C ATOM 1479 C TYR A 91 -2.173 -15.587 -8.000 1.00 0.00 C ATOM 1480 O TYR A 91 -2.174 -16.760 -8.368 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.906 -15.682 -5.559 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.743 -17.190 -5.515 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.870 -18.031 -5.580 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.451 -17.752 -5.542 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.707 -19.420 -5.701 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -1.288 -19.141 -5.666 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.415 -19.977 -5.742 1.00 0.00 C ATOM 1488 OH TYR A 91 -2.256 -21.326 -5.859 1.00 0.00 O ATOM 0 H TYR A 91 -5.006 -16.033 -6.753 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.018 -14.010 -6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.005 -15.224 -5.151 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.730 -15.404 -4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.862 -17.607 -5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.584 -17.113 -5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.574 -20.062 -5.763 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.296 -19.567 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.300 -21.543 -5.873 1.00 0.00 H new ATOM 1498 N LYS A 92 -1.308 -14.681 -8.468 1.00 0.00 N ATOM 1499 CA LYS A 92 -0.185 -15.014 -9.327 1.00 0.00 C ATOM 1500 C LYS A 92 0.868 -15.738 -8.489 1.00 0.00 C ATOM 1501 O LYS A 92 1.351 -16.800 -8.872 1.00 0.00 O ATOM 1502 CB LYS A 92 0.367 -13.723 -9.942 1.00 0.00 C ATOM 1503 CG LYS A 92 1.625 -13.934 -10.795 1.00 0.00 C ATOM 1504 CD LYS A 92 1.347 -14.818 -12.019 1.00 0.00 C ATOM 1505 CE LYS A 92 2.527 -14.835 -12.999 1.00 0.00 C ATOM 1506 NZ LYS A 92 2.667 -13.549 -13.661 1.00 0.00 N ATOM 0 H LYS A 92 -1.376 -13.686 -8.254 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.489 -15.672 -10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.407 -13.265 -10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.595 -13.019 -9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.006 -12.967 -11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.404 -14.393 -10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.135 -15.835 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.456 -14.456 -12.532 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.446 -15.076 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.377 -15.617 -13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.276 -13.654 -14.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.730 -13.207 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.095 -12.865 -13.004 1.00 0.00 H new ATOM 1519 N GLY A 93 1.205 -15.149 -7.337 1.00 0.00 N ATOM 1520 CA GLY A 93 2.142 -15.698 -6.379 1.00 0.00 C ATOM 1521 C GLY A 93 2.031 -14.929 -5.064 1.00 0.00 C ATOM 1522 O GLY A 93 1.329 -13.921 -4.982 1.00 0.00 O ATOM 0 H GLY A 93 0.817 -14.252 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.933 -16.755 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.158 -15.631 -6.768 1.00 0.00 H new ATOM 1526 N GLU A 94 2.726 -15.424 -4.036 1.00 0.00 N ATOM 1527 CA GLU A 94 2.733 -14.869 -2.694 1.00 0.00 C ATOM 1528 C GLU A 94 3.835 -13.816 -2.584 1.00 0.00 C ATOM 1529 O GLU A 94 5.023 -14.130 -2.616 1.00 0.00 O ATOM 1530 CB GLU A 94 2.827 -15.984 -1.640 1.00 0.00 C ATOM 1531 CG GLU A 94 4.045 -16.910 -1.761 1.00 0.00 C ATOM 1532 CD GLU A 94 3.975 -18.039 -0.737 1.00 0.00 C ATOM 1533 OE1 GLU A 94 4.564 -17.921 0.335 1.00 0.00 O ATOM 1534 OE2 GLU A 94 3.241 -19.128 -1.101 1.00 0.00 O ATOM 0 H GLU A 94 3.317 -16.250 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 94 1.790 -14.361 -2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.839 -15.525 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.924 -16.592 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.090 -17.328 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.960 -16.336 -1.613 1.00 0.00 H new ATOM 1542 N PHE A 95 3.428 -12.550 -2.476 1.00 0.00 N ATOM 1543 CA PHE A 95 4.328 -11.421 -2.294 1.00 0.00 C ATOM 1544 C PHE A 95 5.026 -11.524 -0.937 1.00 0.00 C ATOM 1545 O PHE A 95 4.410 -11.914 0.051 1.00 0.00 O ATOM 1546 CB PHE A 95 3.538 -10.110 -2.399 1.00 0.00 C ATOM 1547 CG PHE A 95 3.351 -9.594 -3.816 1.00 0.00 C ATOM 1548 CD1 PHE A 95 2.726 -10.392 -4.794 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.842 -8.322 -4.169 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.602 -9.925 -6.114 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.711 -7.852 -5.486 1.00 0.00 C ATOM 1552 CZ PHE A 95 3.104 -8.660 -6.463 1.00 0.00 C ATOM 0 H PHE A 95 2.445 -12.281 -2.514 1.00 0.00 H new ATOM 0 HA PHE A 95 5.089 -11.434 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.557 -10.256 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.049 -9.346 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.341 -11.366 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.322 -7.705 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.120 -10.539 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.077 -6.870 -5.748 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.024 -8.309 -7.481 1.00 0.00 H new ATOM 1562 N GLU A 96 6.315 -11.172 -0.891 1.00 0.00 N ATOM 1563 CA GLU A 96 7.109 -11.183 0.323 1.00 0.00 C ATOM 1564 C GLU A 96 6.729 -10.005 1.226 1.00 0.00 C ATOM 1565 O GLU A 96 7.277 -8.913 1.091 1.00 0.00 O ATOM 1566 CB GLU A 96 8.613 -11.263 -0.003 1.00 0.00 C ATOM 1567 CG GLU A 96 9.156 -10.191 -0.962 1.00 0.00 C ATOM 1568 CD GLU A 96 10.642 -10.407 -1.236 1.00 0.00 C ATOM 1569 OE1 GLU A 96 11.005 -10.766 -2.354 1.00 0.00 O ATOM 1570 OE2 GLU A 96 11.482 -10.177 -0.187 1.00 0.00 O ATOM 0 H GLU A 96 6.836 -10.868 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 96 6.884 -12.084 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.170 -11.201 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.819 -12.243 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.601 -10.222 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.002 -9.201 -0.532 1.00 0.00 H new ATOM 1578 N ASP A 97 5.776 -10.229 2.144 1.00 0.00 N ATOM 1579 CA ASP A 97 5.255 -9.216 3.057 1.00 0.00 C ATOM 1580 C ASP A 97 4.489 -8.153 2.269 1.00 0.00 C ATOM 1581 O ASP A 97 4.103 -8.395 1.125 1.00 0.00 O ATOM 1582 CB ASP A 97 6.365 -8.641 3.961 1.00 0.00 C ATOM 1583 CG ASP A 97 7.151 -9.744 4.666 1.00 0.00 C ATOM 1584 OD1 ASP A 97 6.708 -10.228 5.705 1.00 0.00 O ATOM 1585 OD2 ASP A 97 8.320 -10.121 4.075 1.00 0.00 O ATOM 0 H ASP A 97 5.340 -11.143 2.270 1.00 0.00 H new ATOM 0 HA ASP A 97 4.544 -9.678 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.045 -8.037 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.921 -7.979 4.705 1.00 0.00 H new ATOM 1591 N PHE A 98 4.243 -6.994 2.889 1.00 0.00 N ATOM 1592 CA PHE A 98 3.504 -5.896 2.282 1.00 0.00 C ATOM 1593 C PHE A 98 4.174 -4.570 2.634 1.00 0.00 C ATOM 1594 O PHE A 98 3.804 -3.924 3.613 1.00 0.00 O ATOM 1595 CB PHE A 98 2.041 -5.966 2.724 1.00 0.00 C ATOM 1596 CG PHE A 98 1.029 -5.152 1.939 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.403 -4.158 1.011 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.330 -5.448 2.122 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.423 -3.510 0.241 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.312 -4.773 1.381 1.00 0.00 C ATOM 1601 CZ PHE A 98 -0.934 -3.813 0.434 1.00 0.00 C ATOM 0 H PHE A 98 4.558 -6.795 3.839 1.00 0.00 H new ATOM 0 HA PHE A 98 3.516 -5.976 1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.730 -7.010 2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.990 -5.651 3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.444 -3.895 0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.623 -6.201 2.839 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.713 -2.779 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.357 -4.993 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.688 -3.305 -0.149 1.00 0.00 H new ATOM 1611 N GLU A 99 5.150 -4.170 1.810 1.00 0.00 N ATOM 1612 CA GLU A 99 5.904 -2.937 1.992 1.00 0.00 C ATOM 1613 C GLU A 99 5.412 -1.896 0.983 1.00 0.00 C ATOM 1614 O GLU A 99 4.444 -2.139 0.265 1.00 0.00 O ATOM 1615 CB GLU A 99 7.401 -3.268 1.871 1.00 0.00 C ATOM 1616 CG GLU A 99 8.311 -2.129 2.359 1.00 0.00 C ATOM 1617 CD GLU A 99 9.733 -2.623 2.603 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.633 -2.283 1.839 1.00 0.00 O ATOM 1619 OE2 GLU A 99 9.905 -3.433 3.687 1.00 0.00 O ATOM 0 H GLU A 99 5.437 -4.704 0.990 1.00 0.00 H new ATOM 0 HA GLU A 99 5.750 -2.500 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.616 -4.169 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.635 -3.491 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.324 -1.328 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.907 -1.707 3.279 1.00 0.00 H new ATOM 1627 N THR A 100 6.049 -0.724 0.946 1.00 0.00 N ATOM 1628 CA THR A 100 5.648 0.374 0.080 1.00 0.00 C ATOM 1629 C THR A 100 6.814 0.843 -0.798 1.00 0.00 C ATOM 1630 O THR A 100 7.973 0.624 -0.447 1.00 0.00 O ATOM 1631 CB THR A 100 5.081 1.499 0.965 1.00 0.00 C ATOM 1632 OG1 THR A 100 6.099 2.367 1.420 1.00 0.00 O ATOM 1633 CG2 THR A 100 4.332 0.961 2.195 1.00 0.00 C ATOM 0 H THR A 100 6.864 -0.514 1.523 1.00 0.00 H new ATOM 0 HA THR A 100 4.873 0.047 -0.613 1.00 0.00 H new ATOM 0 HB THR A 100 4.382 2.041 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.349 2.983 0.700 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.953 1.796 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.498 0.338 1.870 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.013 0.367 2.804 1.00 0.00 H new ATOM 1641 N TYR A 101 6.515 1.517 -1.918 1.00 0.00 N ATOM 1642 CA TYR A 101 7.493 2.369 -2.592 1.00 0.00 C ATOM 1643 C TYR A 101 8.018 3.434 -1.619 1.00 0.00 C ATOM 1644 O TYR A 101 9.257 3.535 -1.500 1.00 0.00 O ATOM 1645 CB TYR A 101 6.857 3.046 -3.817 1.00 0.00 C ATOM 1646 CG TYR A 101 7.219 2.445 -5.167 1.00 0.00 C ATOM 1647 CD1 TYR A 101 7.220 1.051 -5.367 1.00 0.00 C ATOM 1648 CD2 TYR A 101 7.567 3.294 -6.235 1.00 0.00 C ATOM 1649 CE1 TYR A 101 7.625 0.516 -6.605 1.00 0.00 C ATOM 1650 CE2 TYR A 101 7.981 2.758 -7.466 1.00 0.00 C ATOM 1651 CZ TYR A 101 8.019 1.367 -7.649 1.00 0.00 C ATOM 1652 OH TYR A 101 8.418 0.840 -8.842 1.00 0.00 O ATOM 1653 OXT TYR A 101 7.175 4.141 -1.024 1.00 0.00 O ATOM 0 H TYR A 101 5.602 1.486 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 101 8.325 1.750 -2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.773 3.014 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.146 4.097 -3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.910 0.392 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.515 4.365 -6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.632 -0.554 -6.752 1.00 0.00 H new ATOM 0 HE2 TYR A 101 8.270 3.417 -8.272 1.00 0.00 H new ATOM 0 HH TYR A 101 8.656 1.565 -9.457 1.00 0.00 H new TER 1663 TYR A 101