USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=25 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= -0.312 K(o=-0.19,f=-5.4!) USER MOD Set 1.2: A 48 ASN : amide:sc= 0.124 K(o=-0.19,f=-6.4) USER MOD Single : A 0 SER OG : rot -38:sc= 0.346 USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0862) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= -0.0187 (180deg=-0.227) USER MOD Single : A 5 SER OG : rot 180:sc= 0.15 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A -1 GLY N :NH3+ -115:sc= 0.0873 (180deg=0) USER MOD Single : A 12 MET CE :methyl 166:sc= -0.119 (180deg=-0.525) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.013 (180deg=-0.175) USER MOD Single : A 16 MET CE :methyl -170:sc= -2 (180deg=-2.35) 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= -3.62 K(o=-3.6,f=-9.5!) USER MOD Single : A 36 HIS : no HD1:sc= -0.977 X(o=-0.98,f=-1.2) USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= -3.13! (180deg=-3.88!) USER MOD Single : A 45 TYR OH : rot -60:sc= 1.66 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 170:sc= 0 USER MOD Single : A 61 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 SER OG : rot -11:sc= 0.52 USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= 0.114 (180deg=-0.161) USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= 0.426 (180deg=-0.00596) USER MOD Single : A 74 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.15) 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=-0.00844 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -34:sc= 0.0273 USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0794) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 13.997 -34.981 18.204 1.00 0.00 N ATOM 2 CA GLY A -1 12.644 -35.475 18.514 1.00 0.00 C ATOM 3 C GLY A -1 11.603 -34.979 17.512 1.00 0.00 C ATOM 4 O GLY A -1 11.871 -34.051 16.752 1.00 0.00 O ATOM 0 H1 GLY A -1 14.611 -35.783 17.955 1.00 0.00 H new ATOM 0 H2 GLY A -1 13.950 -34.319 17.403 1.00 0.00 H new ATOM 0 H3 GLY A -1 14.387 -34.492 19.035 1.00 0.00 H new ATOM 0 HA2 GLY A -1 12.650 -36.565 18.519 1.00 0.00 H new ATOM 0 HA3 GLY A -1 12.363 -35.153 19.517 1.00 0.00 H new ATOM 10 N SER A 0 10.423 -35.616 17.512 1.00 0.00 N ATOM 11 CA SER A 0 9.306 -35.316 16.622 1.00 0.00 C ATOM 12 C SER A 0 9.702 -35.421 15.141 1.00 0.00 C ATOM 13 O SER A 0 9.240 -34.638 14.312 1.00 0.00 O ATOM 14 CB SER A 0 8.701 -33.951 16.986 1.00 0.00 C ATOM 15 OG SER A 0 7.486 -33.749 16.297 1.00 0.00 O ATOM 0 H SER A 0 10.219 -36.380 18.156 1.00 0.00 H new ATOM 0 HA SER A 0 8.533 -36.071 16.766 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.529 -33.898 18.061 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.404 -33.157 16.736 1.00 0.00 H new ATOM 0 HG SER A 0 7.558 -34.119 15.392 1.00 0.00 H new ATOM 21 N MET A 1 10.556 -36.399 14.811 1.00 0.00 N ATOM 22 CA MET A 1 11.086 -36.609 13.470 1.00 0.00 C ATOM 23 C MET A 1 10.171 -37.580 12.722 1.00 0.00 C ATOM 24 O MET A 1 10.549 -38.724 12.473 1.00 0.00 O ATOM 25 CB MET A 1 12.526 -37.136 13.571 1.00 0.00 C ATOM 26 CG MET A 1 13.440 -36.133 14.284 1.00 0.00 C ATOM 27 SD MET A 1 15.207 -36.540 14.283 1.00 0.00 S ATOM 28 CE MET A 1 15.187 -38.105 15.194 1.00 0.00 C ATOM 0 H MET A 1 10.901 -37.078 15.489 1.00 0.00 H new ATOM 0 HA MET A 1 11.114 -35.673 12.912 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.531 -38.083 14.111 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.913 -37.336 12.572 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.311 -35.156 13.817 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.108 -36.039 15.318 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.210 -38.426 15.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.663 -37.969 16.140 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.675 -38.864 14.602 1.00 0.00 H new ATOM 38 N LYS A 2 8.956 -37.121 12.394 1.00 0.00 N ATOM 39 CA LYS A 2 7.891 -37.948 11.839 1.00 0.00 C ATOM 40 C LYS A 2 7.370 -37.375 10.519 1.00 0.00 C ATOM 41 O LYS A 2 7.379 -36.161 10.319 1.00 0.00 O ATOM 42 CB LYS A 2 6.774 -38.106 12.882 1.00 0.00 C ATOM 43 CG LYS A 2 6.057 -36.787 13.215 1.00 0.00 C ATOM 44 CD LYS A 2 4.993 -36.972 14.306 1.00 0.00 C ATOM 45 CE LYS A 2 5.611 -37.125 15.701 1.00 0.00 C ATOM 46 NZ LYS A 2 4.563 -37.250 16.696 1.00 0.00 N ATOM 0 H LYS A 2 8.687 -36.144 12.512 1.00 0.00 H new ATOM 0 HA LYS A 2 8.288 -38.936 11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.043 -38.825 12.514 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.197 -38.522 13.796 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.789 -36.049 13.543 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.588 -36.392 12.314 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.319 -36.116 14.302 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.392 -37.852 14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.256 -38.003 15.728 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.238 -36.262 15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.990 -37.353 17.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.964 -36.400 16.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.982 -38.087 16.485 1.00 0.00 H new ATOM 59 N LYS A 3 6.903 -38.263 9.634 1.00 0.00 N ATOM 60 CA LYS A 3 6.243 -37.930 8.379 1.00 0.00 C ATOM 61 C LYS A 3 4.977 -38.784 8.286 1.00 0.00 C ATOM 62 O LYS A 3 4.903 -39.706 7.477 1.00 0.00 O ATOM 63 CB LYS A 3 7.190 -38.185 7.194 1.00 0.00 C ATOM 64 CG LYS A 3 8.352 -37.186 7.089 1.00 0.00 C ATOM 65 CD LYS A 3 7.885 -35.812 6.582 1.00 0.00 C ATOM 66 CE LYS A 3 9.052 -34.838 6.374 1.00 0.00 C ATOM 67 NZ LYS A 3 9.936 -35.299 5.319 1.00 0.00 N ATOM 0 H LYS A 3 6.980 -39.269 9.783 1.00 0.00 H new ATOM 0 HA LYS A 3 5.975 -36.874 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.598 -39.192 7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.614 -38.153 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.821 -37.072 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.111 -37.582 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.348 -35.938 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.181 -35.384 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.665 -33.850 6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.613 -34.734 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.571 -34.526 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.500 -36.101 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.371 -35.601 4.500 1.00 0.00 H new ATOM 80 N TRP A 4 3.982 -38.443 9.115 1.00 0.00 N ATOM 81 CA TRP A 4 2.634 -39.002 9.060 1.00 0.00 C ATOM 82 C TRP A 4 1.693 -38.000 9.739 1.00 0.00 C ATOM 83 O TRP A 4 1.068 -38.311 10.750 1.00 0.00 O ATOM 84 CB TRP A 4 2.560 -40.377 9.755 1.00 0.00 C ATOM 85 CG TRP A 4 3.383 -41.495 9.189 1.00 0.00 C ATOM 86 CD1 TRP A 4 3.007 -42.315 8.184 1.00 0.00 C ATOM 87 CD2 TRP A 4 4.717 -41.936 9.584 1.00 0.00 C ATOM 88 NE1 TRP A 4 4.006 -43.232 7.926 1.00 0.00 N ATOM 89 CE2 TRP A 4 5.088 -43.040 8.761 1.00 0.00 C ATOM 90 CE3 TRP A 4 5.658 -41.510 10.546 1.00 0.00 C ATOM 91 CZ2 TRP A 4 6.324 -43.692 8.892 1.00 0.00 C ATOM 92 CZ3 TRP A 4 6.903 -42.152 10.683 1.00 0.00 C ATOM 93 CH2 TRP A 4 7.235 -43.244 9.861 1.00 0.00 C ATOM 0 H TRP A 4 4.099 -37.754 9.858 1.00 0.00 H new ATOM 0 HA TRP A 4 2.343 -39.164 8.022 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.852 -40.241 10.796 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.518 -40.696 9.755 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.064 -42.261 7.660 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.952 -43.957 7.211 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.418 -40.676 11.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.571 -44.528 8.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.608 -41.804 11.424 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.189 -43.737 9.975 1.00 0.00 H new ATOM 104 N SER A 5 1.629 -36.777 9.190 1.00 0.00 N ATOM 105 CA SER A 5 0.974 -35.641 9.825 1.00 0.00 C ATOM 106 C SER A 5 0.301 -34.750 8.778 1.00 0.00 C ATOM 107 O SER A 5 -0.923 -34.735 8.674 1.00 0.00 O ATOM 108 CB SER A 5 2.007 -34.872 10.660 1.00 0.00 C ATOM 109 OG SER A 5 3.167 -34.571 9.907 1.00 0.00 O ATOM 0 H SER A 5 2.038 -36.555 8.282 1.00 0.00 H new ATOM 0 HA SER A 5 0.185 -35.992 10.490 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.562 -33.948 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.283 -35.463 11.533 1.00 0.00 H new ATOM 0 HG SER A 5 3.803 -34.080 10.468 1.00 0.00 H new ATOM 115 N ASP A 6 1.116 -33.996 8.030 1.00 0.00 N ATOM 116 CA ASP A 6 0.710 -32.967 7.083 1.00 0.00 C ATOM 117 C ASP A 6 -0.200 -31.932 7.749 1.00 0.00 C ATOM 118 O ASP A 6 -1.408 -31.908 7.519 1.00 0.00 O ATOM 119 CB ASP A 6 0.094 -33.578 5.817 1.00 0.00 C ATOM 120 CG ASP A 6 -0.222 -32.491 4.788 1.00 0.00 C ATOM 121 OD1 ASP A 6 0.703 -31.927 4.209 1.00 0.00 O ATOM 122 OD2 ASP A 6 -1.541 -32.197 4.599 1.00 0.00 O ATOM 0 H ASP A 6 2.130 -34.098 8.077 1.00 0.00 H new ATOM 0 HA ASP A 6 1.603 -32.433 6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.783 -34.304 5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.817 -34.117 6.074 1.00 0.00 H new ATOM 128 N THR A 7 0.399 -31.040 8.546 1.00 0.00 N ATOM 129 CA THR A 7 -0.282 -29.889 9.128 1.00 0.00 C ATOM 130 C THR A 7 -0.343 -28.763 8.088 1.00 0.00 C ATOM 131 O THR A 7 0.147 -27.659 8.320 1.00 0.00 O ATOM 132 CB THR A 7 0.442 -29.472 10.419 1.00 0.00 C ATOM 133 OG1 THR A 7 1.829 -29.342 10.179 1.00 0.00 O ATOM 134 CG2 THR A 7 0.225 -30.513 11.522 1.00 0.00 C ATOM 0 H THR A 7 1.383 -31.102 8.805 1.00 0.00 H new ATOM 0 HA THR A 7 -1.308 -30.136 9.399 1.00 0.00 H new ATOM 0 HB THR A 7 0.031 -28.515 10.741 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.281 -29.075 11.007 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.746 -30.199 12.427 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.841 -30.606 11.730 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.616 -31.477 11.195 1.00 0.00 H new ATOM 142 N GLU A 8 -0.948 -29.059 6.930 1.00 0.00 N ATOM 143 CA GLU A 8 -1.043 -28.154 5.796 1.00 0.00 C ATOM 144 C GLU A 8 -2.227 -28.592 4.934 1.00 0.00 C ATOM 145 O GLU A 8 -2.075 -29.423 4.039 1.00 0.00 O ATOM 146 CB GLU A 8 0.281 -28.161 5.014 1.00 0.00 C ATOM 147 CG GLU A 8 0.276 -27.121 3.885 1.00 0.00 C ATOM 148 CD GLU A 8 1.576 -27.158 3.087 1.00 0.00 C ATOM 149 OE1 GLU A 8 1.560 -27.544 1.921 1.00 0.00 O ATOM 150 OE2 GLU A 8 2.695 -26.743 3.747 1.00 0.00 O ATOM 0 H GLU A 8 -1.394 -29.960 6.760 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.213 -27.129 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.107 -27.956 5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.452 -29.153 4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.567 -27.309 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.134 -26.126 4.306 1.00 0.00 H new ATOM 158 N VAL A 9 -3.407 -28.028 5.218 1.00 0.00 N ATOM 159 CA VAL A 9 -4.622 -28.247 4.448 1.00 0.00 C ATOM 160 C VAL A 9 -5.583 -27.074 4.670 1.00 0.00 C ATOM 161 O VAL A 9 -5.690 -26.566 5.785 1.00 0.00 O ATOM 162 CB VAL A 9 -5.247 -29.611 4.808 1.00 0.00 C ATOM 163 CG1 VAL A 9 -5.667 -29.710 6.282 1.00 0.00 C ATOM 164 CG2 VAL A 9 -6.450 -29.924 3.910 1.00 0.00 C ATOM 0 H VAL A 9 -3.539 -27.395 6.007 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.391 -28.284 3.383 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.463 -30.350 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.099 -30.692 6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.794 -29.568 6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.406 -28.940 6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.869 -30.891 4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.208 -29.151 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.129 -29.953 2.869 1.00 0.00 H new ATOM 174 N PHE A 10 -6.248 -26.632 3.595 1.00 0.00 N ATOM 175 CA PHE A 10 -7.293 -25.613 3.587 1.00 0.00 C ATOM 176 C PHE A 10 -6.763 -24.195 3.846 1.00 0.00 C ATOM 177 O PHE A 10 -7.262 -23.497 4.727 1.00 0.00 O ATOM 178 CB PHE A 10 -8.447 -26.010 4.532 1.00 0.00 C ATOM 179 CG PHE A 10 -9.750 -25.268 4.278 1.00 0.00 C ATOM 180 CD1 PHE A 10 -10.533 -25.600 3.158 1.00 0.00 C ATOM 181 CD2 PHE A 10 -10.174 -24.240 5.143 1.00 0.00 C ATOM 182 CE1 PHE A 10 -11.707 -24.881 2.876 1.00 0.00 C ATOM 183 CE2 PHE A 10 -11.343 -23.513 4.855 1.00 0.00 C ATOM 184 CZ PHE A 10 -12.107 -23.830 3.719 1.00 0.00 C ATOM 0 H PHE A 10 -6.058 -26.997 2.662 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.696 -25.572 2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.628 -27.081 4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.136 -25.831 5.561 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.231 -26.411 2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.600 -24.010 6.029 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.302 -25.136 2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.654 -22.710 5.507 1.00 0.00 H new ATOM 0 HZ PHE A 10 -13.001 -23.267 3.494 1.00 0.00 H new ATOM 194 N GLU A 11 -5.771 -23.753 3.062 1.00 0.00 N ATOM 195 CA GLU A 11 -5.272 -22.380 3.084 1.00 0.00 C ATOM 196 C GLU A 11 -5.021 -21.878 1.661 1.00 0.00 C ATOM 197 O GLU A 11 -4.291 -22.516 0.905 1.00 0.00 O ATOM 198 CB GLU A 11 -4.040 -22.230 3.993 1.00 0.00 C ATOM 199 CG GLU A 11 -2.883 -23.208 3.740 1.00 0.00 C ATOM 200 CD GLU A 11 -3.197 -24.619 4.226 1.00 0.00 C ATOM 201 OE1 GLU A 11 -3.208 -25.544 3.419 1.00 0.00 O ATOM 202 OE2 GLU A 11 -3.475 -24.739 5.556 1.00 0.00 O ATOM 0 H GLU A 11 -5.290 -24.349 2.388 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.042 -21.745 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.659 -21.214 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.363 -22.343 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.661 -23.235 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.987 -22.844 4.243 1.00 0.00 H new ATOM 210 N MET A 12 -5.630 -20.740 1.299 1.00 0.00 N ATOM 211 CA MET A 12 -5.463 -20.080 0.007 1.00 0.00 C ATOM 212 C MET A 12 -6.104 -18.697 0.043 1.00 0.00 C ATOM 213 O MET A 12 -6.908 -18.405 0.918 1.00 0.00 O ATOM 214 CB MET A 12 -6.121 -20.888 -1.123 1.00 0.00 C ATOM 215 CG MET A 12 -5.085 -21.442 -2.110 1.00 0.00 C ATOM 216 SD MET A 12 -5.756 -22.358 -3.526 1.00 0.00 S ATOM 217 CE MET A 12 -6.856 -21.108 -4.242 1.00 0.00 C ATOM 0 H MET A 12 -6.270 -20.243 1.919 1.00 0.00 H new ATOM 0 HA MET A 12 -4.393 -20.002 -0.185 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.691 -21.712 -0.695 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.829 -20.254 -1.657 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.490 -20.611 -2.488 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.406 -22.098 -1.565 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.152 -21.415 -5.245 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.744 -21.004 -3.618 1.00 0.00 H new ATOM 0 HE3 MET A 12 -6.335 -20.152 -4.294 1.00 0.00 H new ATOM 227 N LEU A 13 -5.770 -17.877 -0.957 1.00 0.00 N ATOM 228 CA LEU A 13 -6.383 -16.586 -1.239 1.00 0.00 C ATOM 229 C LEU A 13 -5.842 -16.038 -2.562 1.00 0.00 C ATOM 230 O LEU A 13 -4.841 -16.541 -3.071 1.00 0.00 O ATOM 231 CB LEU A 13 -6.259 -15.583 -0.079 1.00 0.00 C ATOM 232 CG LEU A 13 -4.900 -15.206 0.531 1.00 0.00 C ATOM 233 CD1 LEU A 13 -4.163 -16.356 1.219 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.990 -14.495 -0.464 1.00 0.00 C ATOM 0 H LEU A 13 -5.030 -18.110 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.457 -16.741 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.721 -14.655 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.873 -15.967 0.735 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.157 -14.504 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.216 -15.994 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.775 -16.745 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.973 -17.150 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.043 -14.251 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.805 -15.147 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.470 -13.578 -0.805 1.00 0.00 H new ATOM 246 N LYS A 14 -6.523 -15.026 -3.116 1.00 0.00 N ATOM 247 CA LYS A 14 -6.167 -14.402 -4.391 1.00 0.00 C ATOM 248 C LYS A 14 -5.632 -12.977 -4.212 1.00 0.00 C ATOM 249 O LYS A 14 -5.823 -12.379 -3.151 1.00 0.00 O ATOM 250 CB LYS A 14 -7.311 -14.509 -5.405 1.00 0.00 C ATOM 251 CG LYS A 14 -8.346 -13.381 -5.353 1.00 0.00 C ATOM 252 CD LYS A 14 -9.098 -13.284 -4.026 1.00 0.00 C ATOM 253 CE LYS A 14 -9.987 -14.503 -3.739 1.00 0.00 C ATOM 254 NZ LYS A 14 -11.030 -14.643 -4.738 1.00 0.00 N ATOM 0 H LYS A 14 -7.349 -14.614 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.335 -14.965 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.883 -14.540 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.825 -15.457 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.844 -12.433 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.067 -13.527 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.378 -13.170 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.716 -12.386 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.375 -15.405 -3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.438 -14.403 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.730 -15.341 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.498 -13.725 -4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.611 -14.963 -5.634 1.00 0.00 H new ATOM 267 N ARG A 15 -4.965 -12.434 -5.245 1.00 0.00 N ATOM 268 CA ARG A 15 -4.425 -11.081 -5.201 1.00 0.00 C ATOM 269 C ARG A 15 -5.504 -10.070 -5.586 1.00 0.00 C ATOM 270 O ARG A 15 -5.990 -10.048 -6.715 1.00 0.00 O ATOM 271 CB ARG A 15 -3.118 -10.930 -5.999 1.00 0.00 C ATOM 272 CG ARG A 15 -3.296 -10.882 -7.519 1.00 0.00 C ATOM 273 CD ARG A 15 -1.943 -10.861 -8.241 1.00 0.00 C ATOM 274 NE ARG A 15 -2.097 -11.285 -9.640 1.00 0.00 N ATOM 275 CZ ARG A 15 -1.310 -10.946 -10.675 1.00 0.00 C ATOM 276 NH1 ARG A 15 -0.290 -10.089 -10.521 1.00 0.00 N ATOM 277 NH2 ARG A 15 -1.552 -11.481 -11.879 1.00 0.00 N ATOM 0 H ARG A 15 -4.791 -12.923 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.133 -10.865 -4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.616 -10.018 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.459 -11.762 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.872 -11.748 -7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.869 -9.996 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.520 -9.857 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.242 -11.521 -7.730 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.883 -11.901 -9.847 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.100 -9.682 -9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.296 -9.845 -11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.325 -12.136 -12.000 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.964 -11.234 -12.675 1.00 0.00 H new ATOM 291 N MET A 16 -5.885 -9.234 -4.622 1.00 0.00 N ATOM 292 CA MET A 16 -6.824 -8.154 -4.821 1.00 0.00 C ATOM 293 C MET A 16 -6.084 -6.885 -5.261 1.00 0.00 C ATOM 294 O MET A 16 -5.460 -6.190 -4.461 1.00 0.00 O ATOM 295 CB MET A 16 -7.682 -7.972 -3.571 1.00 0.00 C ATOM 296 CG MET A 16 -6.914 -7.850 -2.253 1.00 0.00 C ATOM 297 SD MET A 16 -7.653 -6.755 -1.013 1.00 0.00 S ATOM 298 CE MET A 16 -7.473 -5.141 -1.831 1.00 0.00 C ATOM 0 H MET A 16 -5.537 -9.297 -3.665 1.00 0.00 H new ATOM 0 HA MET A 16 -7.514 -8.395 -5.630 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.293 -7.078 -3.699 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.366 -8.818 -3.495 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.813 -8.845 -1.819 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.907 -7.494 -2.472 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.717 -4.346 -1.126 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.446 -5.019 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.149 -5.088 -2.684 1.00 0.00 H new ATOM 308 N TYR A 17 -6.158 -6.603 -6.563 1.00 0.00 N ATOM 309 CA TYR A 17 -5.535 -5.457 -7.202 1.00 0.00 C ATOM 310 C TYR A 17 -6.492 -4.270 -7.101 1.00 0.00 C ATOM 311 O TYR A 17 -7.518 -4.242 -7.777 1.00 0.00 O ATOM 312 CB TYR A 17 -5.158 -5.833 -8.644 1.00 0.00 C ATOM 313 CG TYR A 17 -5.039 -4.692 -9.639 1.00 0.00 C ATOM 314 CD1 TYR A 17 -4.357 -3.507 -9.303 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.628 -4.819 -10.913 1.00 0.00 C ATOM 316 CE1 TYR A 17 -4.306 -2.443 -10.221 1.00 0.00 C ATOM 317 CE2 TYR A 17 -5.557 -3.762 -11.835 1.00 0.00 C ATOM 318 CZ TYR A 17 -4.899 -2.571 -11.488 1.00 0.00 C ATOM 319 OH TYR A 17 -4.836 -1.537 -12.374 1.00 0.00 O ATOM 0 H TYR A 17 -6.673 -7.191 -7.219 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.609 -5.163 -6.708 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.206 -6.363 -8.619 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.904 -6.534 -9.019 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.874 -3.415 -8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.136 -5.733 -11.182 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.809 -1.523 -9.951 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.008 -3.865 -12.811 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.294 -1.788 -13.203 1.00 0.00 H new ATOM 329 N ALA A 18 -6.144 -3.300 -6.247 1.00 0.00 N ATOM 330 CA ALA A 18 -6.900 -2.082 -6.025 1.00 0.00 C ATOM 331 C ALA A 18 -6.131 -0.877 -6.551 1.00 0.00 C ATOM 332 O ALA A 18 -5.128 -0.453 -5.980 1.00 0.00 O ATOM 333 CB ALA A 18 -7.230 -1.929 -4.547 1.00 0.00 C ATOM 0 H ALA A 18 -5.299 -3.352 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.840 -2.142 -6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.797 -1.011 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.823 -2.782 -4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.306 -1.885 -3.971 1.00 0.00 H new ATOM 339 N ARG A 19 -6.639 -0.331 -7.653 1.00 0.00 N ATOM 340 CA ARG A 19 -6.116 0.813 -8.369 1.00 0.00 C ATOM 341 C ARG A 19 -6.840 2.051 -7.841 1.00 0.00 C ATOM 342 O ARG A 19 -8.058 2.152 -7.985 1.00 0.00 O ATOM 343 CB ARG A 19 -6.375 0.580 -9.865 1.00 0.00 C ATOM 344 CG ARG A 19 -5.379 1.282 -10.793 1.00 0.00 C ATOM 345 CD ARG A 19 -5.131 2.744 -10.421 1.00 0.00 C ATOM 346 NE ARG A 19 -4.691 3.503 -11.599 1.00 0.00 N ATOM 347 CZ ARG A 19 -4.582 4.839 -11.672 1.00 0.00 C ATOM 348 NH1 ARG A 19 -4.709 5.604 -10.580 1.00 0.00 N ATOM 349 NH2 ARG A 19 -4.334 5.414 -12.856 1.00 0.00 N ATOM 0 H ARG A 19 -7.480 -0.705 -8.092 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.045 0.954 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.347 -0.491 -10.064 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.381 0.923 -10.105 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.432 0.743 -10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.750 1.233 -11.817 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.043 3.183 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.375 2.804 -9.638 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.447 2.969 -12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.892 5.173 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.623 6.618 -10.655 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.230 4.838 -13.691 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.249 6.428 -12.923 1.00 0.00 H new ATOM 363 N VAL A 20 -6.101 2.981 -7.222 1.00 0.00 N ATOM 364 CA VAL A 20 -6.668 4.166 -6.595 1.00 0.00 C ATOM 365 C VAL A 20 -6.375 5.375 -7.488 1.00 0.00 C ATOM 366 O VAL A 20 -5.211 5.647 -7.777 1.00 0.00 O ATOM 367 CB VAL A 20 -6.101 4.335 -5.172 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.984 5.295 -4.369 1.00 0.00 C ATOM 369 CG2 VAL A 20 -6.013 3.004 -4.408 1.00 0.00 C ATOM 0 H VAL A 20 -5.085 2.925 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.749 4.069 -6.492 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.092 4.732 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.577 5.409 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.009 6.266 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.995 4.893 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.607 3.182 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.008 2.568 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.361 2.317 -4.948 1.00 0.00 H new ATOM 379 N TYR A 21 -7.424 6.072 -7.950 1.00 0.00 N ATOM 380 CA TYR A 21 -7.320 7.222 -8.853 1.00 0.00 C ATOM 381 C TYR A 21 -7.623 8.520 -8.105 1.00 0.00 C ATOM 382 O TYR A 21 -8.414 8.520 -7.163 1.00 0.00 O ATOM 383 CB TYR A 21 -8.286 7.088 -10.040 1.00 0.00 C ATOM 384 CG TYR A 21 -8.067 5.902 -10.965 1.00 0.00 C ATOM 385 CD1 TYR A 21 -8.377 4.595 -10.540 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.687 6.118 -12.304 1.00 0.00 C ATOM 387 CE1 TYR A 21 -8.333 3.524 -11.444 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.638 5.043 -13.209 1.00 0.00 C ATOM 389 CZ TYR A 21 -7.951 3.743 -12.776 1.00 0.00 C ATOM 390 OH TYR A 21 -7.877 2.691 -13.642 1.00 0.00 O ATOM 0 H TYR A 21 -8.386 5.845 -7.700 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.298 7.248 -9.232 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.302 7.031 -9.648 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.224 8.000 -10.634 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.650 4.417 -9.511 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.432 7.113 -12.637 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.594 2.529 -11.114 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.360 5.216 -14.238 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.599 3.013 -14.525 1.00 0.00 H new ATOM 400 N GLY A 22 -7.015 9.625 -8.562 1.00 0.00 N ATOM 401 CA GLY A 22 -7.221 10.963 -8.031 1.00 0.00 C ATOM 402 C GLY A 22 -5.889 11.671 -7.821 1.00 0.00 C ATOM 403 O GLY A 22 -4.891 11.306 -8.440 1.00 0.00 O ATOM 0 H GLY A 22 -6.349 9.602 -9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.841 11.540 -8.717 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.761 10.905 -7.086 1.00 0.00 H new ATOM 407 N LEU A 23 -5.866 12.634 -6.888 1.00 0.00 N ATOM 408 CA LEU A 23 -4.623 13.208 -6.373 1.00 0.00 C ATOM 409 C LEU A 23 -4.088 12.358 -5.206 1.00 0.00 C ATOM 410 O LEU A 23 -3.255 12.803 -4.420 1.00 0.00 O ATOM 411 CB LEU A 23 -4.862 14.678 -5.997 1.00 0.00 C ATOM 412 CG LEU A 23 -3.582 15.528 -5.910 1.00 0.00 C ATOM 413 CD1 LEU A 23 -3.022 15.853 -7.303 1.00 0.00 C ATOM 414 CD2 LEU A 23 -3.897 16.836 -5.177 1.00 0.00 C ATOM 0 H LEU A 23 -6.708 13.033 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.848 13.193 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.531 15.124 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.375 14.716 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.830 14.955 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.119 16.454 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.784 14.926 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.766 16.410 -7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.994 17.443 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.664 17.384 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.257 16.613 -4.173 1.00 0.00 H new ATOM 426 N VAL A 24 -4.578 11.118 -5.104 1.00 0.00 N ATOM 427 CA VAL A 24 -4.300 10.160 -4.049 1.00 0.00 C ATOM 428 C VAL A 24 -2.802 9.887 -3.898 1.00 0.00 C ATOM 429 O VAL A 24 -2.305 9.765 -2.778 1.00 0.00 O ATOM 430 CB VAL A 24 -5.126 8.892 -4.313 1.00 0.00 C ATOM 431 CG1 VAL A 24 -6.614 9.254 -4.282 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.823 8.247 -5.672 1.00 0.00 C ATOM 0 H VAL A 24 -5.218 10.741 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.601 10.574 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.862 8.174 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.210 8.360 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.869 9.663 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.824 9.997 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.439 7.356 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.045 8.957 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.770 7.969 -5.716 1.00 0.00 H new ATOM 442 N GLN A 25 -2.081 9.855 -5.024 1.00 0.00 N ATOM 443 CA GLN A 25 -0.630 9.865 -5.057 1.00 0.00 C ATOM 444 C GLN A 25 -0.165 11.285 -4.745 1.00 0.00 C ATOM 445 O GLN A 25 0.145 12.078 -5.632 1.00 0.00 O ATOM 446 CB GLN A 25 -0.162 9.346 -6.413 1.00 0.00 C ATOM 447 CG GLN A 25 1.361 9.344 -6.543 1.00 0.00 C ATOM 448 CD GLN A 25 1.821 8.349 -7.604 1.00 0.00 C ATOM 449 OE1 GLN A 25 1.961 8.708 -8.769 1.00 0.00 O ATOM 450 NE2 GLN A 25 2.107 7.112 -7.191 1.00 0.00 N ATOM 0 H GLN A 25 -2.506 9.821 -5.951 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.191 9.205 -4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.538 8.334 -6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.590 9.963 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.708 10.344 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.811 9.090 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.975 6.858 -6.212 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.458 6.421 -7.854 1.00 0.00 H new ATOM 459 N GLY A 26 -0.169 11.587 -3.449 1.00 0.00 N ATOM 460 CA GLY A 26 0.138 12.889 -2.894 1.00 0.00 C ATOM 461 C GLY A 26 0.168 12.796 -1.372 1.00 0.00 C ATOM 462 O GLY A 26 1.233 12.924 -0.770 1.00 0.00 O ATOM 0 H GLY A 26 -0.397 10.898 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.101 13.238 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.609 13.617 -3.210 1.00 0.00 H new ATOM 466 N VAL A 27 -0.994 12.543 -0.756 1.00 0.00 N ATOM 467 CA VAL A 27 -1.148 12.472 0.698 1.00 0.00 C ATOM 468 C VAL A 27 -0.851 11.065 1.237 1.00 0.00 C ATOM 469 O VAL A 27 -1.493 10.601 2.179 1.00 0.00 O ATOM 470 CB VAL A 27 -2.539 12.999 1.114 1.00 0.00 C ATOM 471 CG1 VAL A 27 -2.730 14.452 0.653 1.00 0.00 C ATOM 472 CG2 VAL A 27 -3.695 12.140 0.577 1.00 0.00 C ATOM 0 H VAL A 27 -1.864 12.380 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.404 13.122 1.159 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.568 12.945 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.716 14.803 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.965 15.081 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.644 14.504 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.645 12.563 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.661 12.124 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.600 11.123 0.958 1.00 0.00 H new ATOM 482 N GLY A 28 0.154 10.401 0.656 1.00 0.00 N ATOM 483 CA GLY A 28 0.617 9.079 1.051 1.00 0.00 C ATOM 484 C GLY A 28 -0.449 8.001 0.849 1.00 0.00 C ATOM 485 O GLY A 28 -0.526 7.409 -0.225 1.00 0.00 O ATOM 0 H GLY A 28 0.681 10.787 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.504 8.821 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.914 9.100 2.100 1.00 0.00 H new ATOM 489 N PHE A 29 -1.227 7.719 1.903 1.00 0.00 N ATOM 490 CA PHE A 29 -2.262 6.693 1.995 1.00 0.00 C ATOM 491 C PHE A 29 -1.721 5.258 2.031 1.00 0.00 C ATOM 492 O PHE A 29 -2.254 4.437 2.773 1.00 0.00 O ATOM 493 CB PHE A 29 -3.326 6.892 0.915 1.00 0.00 C ATOM 494 CG PHE A 29 -4.617 6.133 1.170 1.00 0.00 C ATOM 495 CD1 PHE A 29 -5.495 6.583 2.173 1.00 0.00 C ATOM 496 CD2 PHE A 29 -5.015 5.089 0.313 1.00 0.00 C ATOM 497 CE1 PHE A 29 -6.777 6.023 2.293 1.00 0.00 C ATOM 498 CE2 PHE A 29 -6.302 4.535 0.429 1.00 0.00 C ATOM 499 CZ PHE A 29 -7.188 5.010 1.411 1.00 0.00 C ATOM 0 H PHE A 29 -1.139 8.243 2.774 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.738 6.827 2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.552 7.955 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.917 6.579 -0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.182 7.362 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.331 4.714 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.448 6.372 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.610 3.743 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.183 4.597 1.487 1.00 0.00 H new ATOM 509 N ARG A 30 -0.664 4.960 1.260 1.00 0.00 N ATOM 510 CA ARG A 30 0.006 3.663 1.211 1.00 0.00 C ATOM 511 C ARG A 30 0.204 3.052 2.601 1.00 0.00 C ATOM 512 O ARG A 30 -0.072 1.874 2.809 1.00 0.00 O ATOM 513 CB ARG A 30 1.345 3.795 0.459 1.00 0.00 C ATOM 514 CG ARG A 30 2.381 4.678 1.178 1.00 0.00 C ATOM 515 CD ARG A 30 3.572 5.041 0.285 1.00 0.00 C ATOM 516 NE ARG A 30 4.581 5.805 1.031 1.00 0.00 N ATOM 517 CZ ARG A 30 5.682 6.357 0.492 1.00 0.00 C ATOM 518 NH1 ARG A 30 5.976 6.189 -0.803 1.00 0.00 N ATOM 519 NH2 ARG A 30 6.499 7.088 1.263 1.00 0.00 N ATOM 0 H ARG A 30 -0.241 5.644 0.633 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.641 2.974 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.768 2.801 0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.155 4.209 -0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.897 5.593 1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.743 4.157 2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.022 4.132 -0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.226 5.626 -0.567 1.00 0.00 H new ATOM 0 HE ARG A 30 4.435 5.926 2.033 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.360 5.635 -1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.816 6.615 -1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.283 7.222 2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.336 7.510 0.862 1.00 0.00 H new ATOM 533 N LYS A 31 0.653 3.862 3.564 1.00 0.00 N ATOM 534 CA LYS A 31 0.986 3.399 4.894 1.00 0.00 C ATOM 535 C LYS A 31 -0.277 2.986 5.650 1.00 0.00 C ATOM 536 O LYS A 31 -0.324 1.896 6.211 1.00 0.00 O ATOM 537 CB LYS A 31 1.763 4.500 5.620 1.00 0.00 C ATOM 538 CG LYS A 31 2.399 4.038 6.938 1.00 0.00 C ATOM 539 CD LYS A 31 3.276 2.781 6.817 1.00 0.00 C ATOM 540 CE LYS A 31 4.349 2.912 5.727 1.00 0.00 C ATOM 541 NZ LYS A 31 5.190 1.731 5.718 1.00 0.00 N ATOM 0 H LYS A 31 0.793 4.864 3.431 1.00 0.00 H new ATOM 0 HA LYS A 31 1.618 2.513 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.546 4.875 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.091 5.333 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.005 4.851 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.606 3.844 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.758 2.586 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.643 1.921 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.877 3.040 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.956 3.800 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.914 1.826 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.653 1.627 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.607 0.891 5.526 1.00 0.00 H new ATOM 554 N PHE A 32 -1.305 3.842 5.643 1.00 0.00 N ATOM 555 CA PHE A 32 -2.620 3.562 6.219 1.00 0.00 C ATOM 556 C PHE A 32 -3.194 2.234 5.705 1.00 0.00 C ATOM 557 O PHE A 32 -3.743 1.449 6.478 1.00 0.00 O ATOM 558 CB PHE A 32 -3.567 4.732 5.898 1.00 0.00 C ATOM 559 CG PHE A 32 -4.983 4.698 6.465 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.345 3.842 7.525 1.00 0.00 C ATOM 561 CD2 PHE A 32 -5.971 5.511 5.874 1.00 0.00 C ATOM 562 CE1 PHE A 32 -6.677 3.782 7.969 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.301 5.459 6.324 1.00 0.00 C ATOM 564 CZ PHE A 32 -7.655 4.595 7.374 1.00 0.00 C ATOM 0 H PHE A 32 -1.241 4.771 5.226 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.516 3.462 7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.092 5.649 6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.646 4.807 4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.594 3.228 7.999 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.704 6.179 5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.949 3.109 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.052 6.083 5.863 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.677 4.556 7.722 1.00 0.00 H new ATOM 574 N VAL A 33 -3.071 1.977 4.394 1.00 0.00 N ATOM 575 CA VAL A 33 -3.513 0.713 3.801 1.00 0.00 C ATOM 576 C VAL A 33 -2.740 -0.443 4.436 1.00 0.00 C ATOM 577 O VAL A 33 -3.315 -1.490 4.732 1.00 0.00 O ATOM 578 CB VAL A 33 -3.367 0.718 2.265 1.00 0.00 C ATOM 579 CG1 VAL A 33 -3.811 -0.624 1.663 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.214 1.811 1.602 1.00 0.00 C ATOM 0 H VAL A 33 -2.667 2.633 3.725 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.575 0.583 4.007 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.310 0.903 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.697 -0.592 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.195 -1.426 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.856 -0.807 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.076 1.773 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.266 1.651 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.903 2.788 1.973 1.00 0.00 H new ATOM 590 N GLN A 34 -1.444 -0.229 4.673 1.00 0.00 N ATOM 591 CA GLN A 34 -0.574 -1.209 5.292 1.00 0.00 C ATOM 592 C GLN A 34 -0.963 -1.486 6.741 1.00 0.00 C ATOM 593 O GLN A 34 -1.042 -2.653 7.086 1.00 0.00 O ATOM 594 CB GLN A 34 0.909 -0.862 5.098 1.00 0.00 C ATOM 595 CG GLN A 34 1.504 -1.560 3.869 1.00 0.00 C ATOM 596 CD GLN A 34 0.834 -1.108 2.576 1.00 0.00 C ATOM 597 OE1 GLN A 34 1.352 -0.255 1.866 1.00 0.00 O ATOM 598 NE2 GLN A 34 -0.325 -1.678 2.257 1.00 0.00 N ATOM 0 H GLN A 34 -0.972 0.643 4.434 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.719 -2.156 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.018 0.217 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.469 -1.152 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.573 -1.352 3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.394 -2.639 3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.731 -2.386 2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.808 -1.407 1.400 1.00 0.00 H new ATOM 607 N ILE A 35 -1.236 -0.485 7.588 1.00 0.00 N ATOM 608 CA ILE A 35 -1.586 -0.740 8.990 1.00 0.00 C ATOM 609 C ILE A 35 -2.654 -1.823 9.123 1.00 0.00 C ATOM 610 O ILE A 35 -2.441 -2.807 9.826 1.00 0.00 O ATOM 611 CB ILE A 35 -2.061 0.549 9.693 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.038 1.698 9.651 1.00 0.00 C ATOM 613 CG2 ILE A 35 -2.456 0.258 11.151 1.00 0.00 C ATOM 614 CD1 ILE A 35 0.341 1.331 10.205 1.00 0.00 C ATOM 0 H ILE A 35 -1.221 0.501 7.329 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.678 -1.094 9.478 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.930 0.886 9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.926 2.032 8.620 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.432 2.541 10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.788 1.180 11.629 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.265 -0.472 11.170 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.595 -0.140 11.689 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.002 2.196 10.139 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.245 1.027 11.247 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.760 0.509 9.624 1.00 0.00 H new ATOM 626 N HIS A 36 -3.790 -1.651 8.443 1.00 0.00 N ATOM 627 CA HIS A 36 -4.881 -2.605 8.538 1.00 0.00 C ATOM 628 C HIS A 36 -4.464 -3.937 7.920 1.00 0.00 C ATOM 629 O HIS A 36 -4.652 -4.971 8.549 1.00 0.00 O ATOM 630 CB HIS A 36 -6.156 -2.039 7.909 1.00 0.00 C ATOM 631 CG HIS A 36 -6.892 -1.082 8.817 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.284 -1.118 8.913 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.422 -0.073 9.622 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.599 -0.132 9.757 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.519 0.523 10.211 1.00 0.00 N ATOM 0 H HIS A 36 -3.972 -0.861 7.824 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.109 -2.789 9.588 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.900 -1.526 6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.820 -2.862 7.645 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.388 0.202 9.767 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.612 0.112 10.043 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.511 1.307 10.863 1.00 0.00 H new ATOM 643 N ALA A 37 -3.869 -3.915 6.721 1.00 0.00 N ATOM 644 CA ALA A 37 -3.354 -5.107 6.058 1.00 0.00 C ATOM 645 C ALA A 37 -2.484 -5.970 6.982 1.00 0.00 C ATOM 646 O ALA A 37 -2.712 -7.167 7.120 1.00 0.00 O ATOM 647 CB ALA A 37 -2.547 -4.673 4.834 1.00 0.00 C ATOM 0 H ALA A 37 -3.733 -3.059 6.184 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.203 -5.724 5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.154 -5.554 4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.191 -4.118 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.720 -4.038 5.150 1.00 0.00 H new ATOM 653 N ILE A 38 -1.489 -5.347 7.617 1.00 0.00 N ATOM 654 CA ILE A 38 -0.518 -5.958 8.509 1.00 0.00 C ATOM 655 C ILE A 38 -1.210 -6.452 9.780 1.00 0.00 C ATOM 656 O ILE A 38 -0.938 -7.564 10.230 1.00 0.00 O ATOM 657 CB ILE A 38 0.629 -4.953 8.777 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.771 -5.123 7.758 1.00 0.00 C ATOM 659 CG2 ILE A 38 1.217 -5.032 10.191 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.358 -4.854 6.309 1.00 0.00 C ATOM 0 H ILE A 38 -1.336 -4.344 7.512 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.070 -6.838 8.048 1.00 0.00 H new ATOM 0 HB ILE A 38 0.164 -3.973 8.671 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.585 -4.449 8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.161 -6.138 7.831 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.014 -4.296 10.295 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.435 -4.827 10.922 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.621 -6.030 10.362 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.218 -4.995 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.566 -5.546 6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.996 -3.830 6.218 1.00 0.00 H new ATOM 672 N ARG A 39 -2.120 -5.648 10.346 1.00 0.00 N ATOM 673 CA ARG A 39 -2.891 -6.024 11.518 1.00 0.00 C ATOM 674 C ARG A 39 -3.804 -7.226 11.238 1.00 0.00 C ATOM 675 O ARG A 39 -3.992 -8.064 12.117 1.00 0.00 O ATOM 676 CB ARG A 39 -3.632 -4.775 12.011 1.00 0.00 C ATOM 677 CG ARG A 39 -4.130 -4.877 13.451 1.00 0.00 C ATOM 678 CD ARG A 39 -5.557 -5.421 13.563 1.00 0.00 C ATOM 679 NE ARG A 39 -5.965 -5.543 14.969 1.00 0.00 N ATOM 680 CZ ARG A 39 -7.062 -6.191 15.397 1.00 0.00 C ATOM 681 NH1 ARG A 39 -7.909 -6.751 14.523 1.00 0.00 N ATOM 682 NH2 ARG A 39 -7.312 -6.279 16.709 1.00 0.00 N ATOM 0 H ARG A 39 -2.336 -4.715 9.995 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.236 -6.371 12.317 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.968 -3.914 11.927 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.482 -4.587 11.356 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.457 -5.523 14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.088 -3.891 13.913 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.245 -4.759 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.618 -6.395 13.077 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.372 -5.103 15.673 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.724 -6.688 13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.739 -7.240 14.859 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.671 -5.855 17.380 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.143 -6.770 17.038 1.00 0.00 H new ATOM 696 N LEU A 40 -4.336 -7.332 10.015 1.00 0.00 N ATOM 697 CA LEU A 40 -5.234 -8.398 9.587 1.00 0.00 C ATOM 698 C LEU A 40 -4.518 -9.456 8.733 1.00 0.00 C ATOM 699 O LEU A 40 -5.182 -10.236 8.052 1.00 0.00 O ATOM 700 CB LEU A 40 -6.426 -7.775 8.851 1.00 0.00 C ATOM 701 CG LEU A 40 -7.178 -6.747 9.716 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.297 -6.138 8.877 1.00 0.00 C ATOM 703 CD2 LEU A 40 -7.795 -7.379 10.970 1.00 0.00 C ATOM 0 H LEU A 40 -4.144 -6.655 9.277 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.595 -8.930 10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.074 -7.291 7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.115 -8.564 8.548 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.461 -5.993 10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.842 -5.406 9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.870 -5.648 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.980 -6.924 8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.314 -6.613 11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.503 -8.154 10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.007 -7.820 11.580 1.00 0.00 H new ATOM 715 N GLY A 41 -3.180 -9.518 8.795 1.00 0.00 N ATOM 716 CA GLY A 41 -2.375 -10.571 8.188 1.00 0.00 C ATOM 717 C GLY A 41 -2.580 -10.702 6.677 1.00 0.00 C ATOM 718 O GLY A 41 -3.036 -11.742 6.204 1.00 0.00 O ATOM 0 H GLY A 41 -2.621 -8.817 9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.322 -10.373 8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.617 -11.522 8.663 1.00 0.00 H new ATOM 722 N ILE A 42 -2.217 -9.656 5.927 1.00 0.00 N ATOM 723 CA ILE A 42 -2.278 -9.589 4.473 1.00 0.00 C ATOM 724 C ILE A 42 -0.860 -9.394 3.932 1.00 0.00 C ATOM 725 O ILE A 42 -0.041 -8.719 4.556 1.00 0.00 O ATOM 726 CB ILE A 42 -3.181 -8.416 4.056 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.637 -8.571 4.510 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.132 -8.115 2.554 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.396 -9.694 3.805 1.00 0.00 C ATOM 0 H ILE A 42 -1.857 -8.796 6.342 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.694 -10.510 4.066 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.758 -7.562 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.653 -8.755 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.161 -7.631 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.792 -7.277 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.112 -7.861 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.458 -8.993 1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.417 -9.736 4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.414 -9.503 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.899 -10.645 3.996 1.00 0.00 H new ATOM 741 N LYS A 43 -0.593 -9.970 2.755 1.00 0.00 N ATOM 742 CA LYS A 43 0.644 -9.792 2.004 1.00 0.00 C ATOM 743 C LYS A 43 0.336 -8.961 0.755 1.00 0.00 C ATOM 744 O LYS A 43 -0.833 -8.785 0.419 1.00 0.00 O ATOM 745 CB LYS A 43 1.246 -11.143 1.636 1.00 0.00 C ATOM 746 CG LYS A 43 1.289 -12.110 2.829 1.00 0.00 C ATOM 747 CD LYS A 43 2.280 -13.270 2.649 1.00 0.00 C ATOM 748 CE LYS A 43 2.054 -14.046 1.346 1.00 0.00 C ATOM 749 NZ LYS A 43 2.630 -13.321 0.231 1.00 0.00 N ATOM 0 H LYS A 43 -1.255 -10.591 2.289 1.00 0.00 H new ATOM 0 HA LYS A 43 1.380 -9.268 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.663 -11.590 0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.256 -10.996 1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.555 -11.553 3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.291 -12.518 2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.297 -12.878 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.191 -13.953 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.506 -15.035 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.987 -14.194 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.160 -13.980 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.871 -12.876 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.273 -12.587 0.590 1.00 0.00 H new ATOM 762 N GLY A 44 1.353 -8.449 0.056 1.00 0.00 N ATOM 763 CA GLY A 44 1.114 -7.624 -1.114 1.00 0.00 C ATOM 764 C GLY A 44 2.301 -6.737 -1.460 1.00 0.00 C ATOM 765 O GLY A 44 3.441 -7.060 -1.129 1.00 0.00 O ATOM 0 H GLY A 44 2.337 -8.593 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.885 -8.265 -1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.238 -7.000 -0.940 1.00 0.00 H new ATOM 769 N TYR A 45 2.009 -5.603 -2.108 1.00 0.00 N ATOM 770 CA TYR A 45 2.945 -4.508 -2.302 1.00 0.00 C ATOM 771 C TYR A 45 2.177 -3.268 -2.770 1.00 0.00 C ATOM 772 O TYR A 45 1.226 -3.383 -3.543 1.00 0.00 O ATOM 773 CB TYR A 45 4.047 -4.884 -3.293 1.00 0.00 C ATOM 774 CG TYR A 45 5.293 -4.039 -3.173 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.290 -2.712 -3.632 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.398 -4.529 -2.453 1.00 0.00 C ATOM 777 CE1 TYR A 45 6.286 -1.829 -3.195 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.455 -3.668 -2.122 1.00 0.00 C ATOM 779 CZ TYR A 45 7.354 -2.299 -2.409 1.00 0.00 C ATOM 780 OH TYR A 45 8.287 -1.440 -1.907 1.00 0.00 O ATOM 0 H TYR A 45 1.092 -5.425 -2.518 1.00 0.00 H new ATOM 0 HA TYR A 45 3.436 -4.289 -1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.314 -5.930 -3.145 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.656 -4.795 -4.307 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.526 -2.375 -4.317 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.432 -5.567 -2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.234 -0.784 -3.462 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.343 -4.058 -1.648 1.00 0.00 H new ATOM 0 HH TYR A 45 8.734 -0.975 -2.645 1.00 0.00 H new ATOM 790 N ALA A 46 2.581 -2.096 -2.267 1.00 0.00 N ATOM 791 CA ALA A 46 1.898 -0.825 -2.475 1.00 0.00 C ATOM 792 C ALA A 46 2.772 0.070 -3.341 1.00 0.00 C ATOM 793 O ALA A 46 3.614 0.799 -2.825 1.00 0.00 O ATOM 794 CB ALA A 46 1.621 -0.173 -1.120 1.00 0.00 C ATOM 0 H ALA A 46 3.416 -2.009 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 46 0.946 -0.983 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.110 0.778 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.992 -0.832 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.563 0.000 -0.600 1.00 0.00 H new ATOM 800 N LYS A 47 2.584 0.003 -4.659 1.00 0.00 N ATOM 801 CA LYS A 47 3.454 0.686 -5.595 1.00 0.00 C ATOM 802 C LYS A 47 2.947 2.118 -5.765 1.00 0.00 C ATOM 803 O LYS A 47 2.249 2.437 -6.722 1.00 0.00 O ATOM 804 CB LYS A 47 3.591 -0.166 -6.869 1.00 0.00 C ATOM 805 CG LYS A 47 4.113 0.562 -8.119 1.00 0.00 C ATOM 806 CD LYS A 47 3.040 0.710 -9.201 1.00 0.00 C ATOM 807 CE LYS A 47 3.529 1.628 -10.325 1.00 0.00 C ATOM 808 NZ LYS A 47 2.486 1.788 -11.318 1.00 0.00 N ATOM 0 H LYS A 47 1.829 -0.524 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 47 4.479 0.793 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.260 -1.000 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.615 -0.592 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.477 1.549 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.963 0.014 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.789 -0.270 -9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.128 1.117 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.808 2.600 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.422 1.208 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.823 2.412 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.240 0.859 -11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.645 2.208 -10.873 1.00 0.00 H new ATOM 821 N ASN A 48 3.310 2.975 -4.801 1.00 0.00 N ATOM 822 CA ASN A 48 2.978 4.391 -4.791 1.00 0.00 C ATOM 823 C ASN A 48 4.215 5.195 -5.209 1.00 0.00 C ATOM 824 O ASN A 48 4.690 6.046 -4.461 1.00 0.00 O ATOM 825 CB ASN A 48 2.444 4.780 -3.401 1.00 0.00 C ATOM 826 CG ASN A 48 1.868 6.197 -3.346 1.00 0.00 C ATOM 827 OD1 ASN A 48 1.848 6.915 -4.338 1.00 0.00 O ATOM 828 ND2 ASN A 48 1.375 6.609 -2.179 1.00 0.00 N ATOM 0 H ASN A 48 3.857 2.687 -3.989 1.00 0.00 H new ATOM 0 HA ASN A 48 2.188 4.617 -5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.672 4.070 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.251 4.695 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.969 7.541 -2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.403 5.992 -1.367 1.00 0.00 H new ATOM 835 N LEU A 49 4.718 4.922 -6.421 1.00 0.00 N ATOM 836 CA LEU A 49 5.829 5.621 -7.057 1.00 0.00 C ATOM 837 C LEU A 49 5.352 7.015 -7.467 1.00 0.00 C ATOM 838 O LEU A 49 4.555 7.098 -8.399 1.00 0.00 O ATOM 839 CB LEU A 49 6.228 4.858 -8.327 1.00 0.00 C ATOM 840 CG LEU A 49 6.913 3.511 -8.068 1.00 0.00 C ATOM 841 CD1 LEU A 49 6.860 2.668 -9.350 1.00 0.00 C ATOM 842 CD2 LEU A 49 8.372 3.693 -7.630 1.00 0.00 C ATOM 0 H LEU A 49 4.341 4.175 -7.005 1.00 0.00 H new ATOM 0 HA LEU A 49 6.674 5.689 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.336 4.688 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.897 5.484 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 49 6.384 3.007 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.345 1.708 -9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.821 2.503 -9.634 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.376 3.194 -10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.824 2.717 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.924 4.214 -8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.406 4.278 -6.711 1.00 0.00 H new ATOM 854 N PRO A 50 5.797 8.097 -6.804 1.00 0.00 N ATOM 855 CA PRO A 50 5.161 9.408 -6.869 1.00 0.00 C ATOM 856 C PRO A 50 5.530 10.186 -8.140 1.00 0.00 C ATOM 857 O PRO A 50 6.126 11.260 -8.069 1.00 0.00 O ATOM 858 CB PRO A 50 5.588 10.096 -5.573 1.00 0.00 C ATOM 859 CG PRO A 50 7.006 9.564 -5.373 1.00 0.00 C ATOM 860 CD PRO A 50 6.859 8.106 -5.809 1.00 0.00 C ATOM 0 HA PRO A 50 4.075 9.342 -6.943 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.570 11.182 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.935 9.836 -4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.734 10.101 -5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.332 9.650 -4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.791 7.727 -6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.607 7.468 -4.962 1.00 0.00 H new ATOM 868 N ASP A 51 5.127 9.648 -9.298 1.00 0.00 N ATOM 869 CA ASP A 51 5.251 10.235 -10.625 1.00 0.00 C ATOM 870 C ASP A 51 4.494 9.337 -11.617 1.00 0.00 C ATOM 871 O ASP A 51 5.062 8.872 -12.604 1.00 0.00 O ATOM 872 CB ASP A 51 6.734 10.401 -11.011 1.00 0.00 C ATOM 873 CG ASP A 51 6.930 11.084 -12.365 1.00 0.00 C ATOM 874 OD1 ASP A 51 6.088 11.879 -12.778 1.00 0.00 O ATOM 875 OD2 ASP A 51 8.067 10.748 -13.038 1.00 0.00 O ATOM 0 H ASP A 51 4.678 8.733 -9.328 1.00 0.00 H new ATOM 0 HA ASP A 51 4.814 11.234 -10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.240 10.983 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.209 9.420 -11.034 1.00 0.00 H new ATOM 881 N GLY A 52 3.209 9.073 -11.346 1.00 0.00 N ATOM 882 CA GLY A 52 2.370 8.240 -12.195 1.00 0.00 C ATOM 883 C GLY A 52 1.068 7.894 -11.477 1.00 0.00 C ATOM 884 O GLY A 52 0.215 8.762 -11.301 1.00 0.00 O ATOM 0 H GLY A 52 2.726 9.437 -10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.152 8.762 -13.127 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.902 7.326 -12.459 1.00 0.00 H new ATOM 888 N SER A 53 0.915 6.624 -11.076 1.00 0.00 N ATOM 889 CA SER A 53 -0.280 6.099 -10.427 1.00 0.00 C ATOM 890 C SER A 53 0.090 5.269 -9.198 1.00 0.00 C ATOM 891 O SER A 53 1.223 4.800 -9.084 1.00 0.00 O ATOM 892 CB SER A 53 -1.055 5.228 -11.419 1.00 0.00 C ATOM 893 OG SER A 53 -1.403 5.984 -12.559 1.00 0.00 O ATOM 0 H SER A 53 1.643 5.920 -11.201 1.00 0.00 H new ATOM 0 HA SER A 53 -0.899 6.936 -10.105 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.449 4.371 -11.713 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.955 4.835 -10.945 1.00 0.00 H new ATOM 0 HG SER A 53 -1.753 5.387 -13.253 1.00 0.00 H new ATOM 899 N VAL A 54 -0.886 5.074 -8.301 1.00 0.00 N ATOM 900 CA VAL A 54 -0.745 4.277 -7.093 1.00 0.00 C ATOM 901 C VAL A 54 -1.679 3.071 -7.141 1.00 0.00 C ATOM 902 O VAL A 54 -2.857 3.159 -6.787 1.00 0.00 O ATOM 903 CB VAL A 54 -0.910 5.147 -5.838 1.00 0.00 C ATOM 904 CG1 VAL A 54 -2.142 6.054 -5.842 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.895 4.300 -4.558 1.00 0.00 C ATOM 0 H VAL A 54 -1.816 5.480 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 54 0.267 3.875 -7.037 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.044 5.808 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.174 6.629 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.089 6.736 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.042 5.445 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.014 4.949 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.714 3.581 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.053 3.768 -4.485 1.00 0.00 H new ATOM 915 N GLU A 55 -1.129 1.937 -7.582 1.00 0.00 N ATOM 916 CA GLU A 55 -1.804 0.649 -7.542 1.00 0.00 C ATOM 917 C GLU A 55 -1.316 -0.147 -6.336 1.00 0.00 C ATOM 918 O GLU A 55 -0.114 -0.224 -6.075 1.00 0.00 O ATOM 919 CB GLU A 55 -1.631 -0.129 -8.853 1.00 0.00 C ATOM 920 CG GLU A 55 -0.197 -0.218 -9.375 1.00 0.00 C ATOM 921 CD GLU A 55 -0.098 -1.193 -10.545 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.573 -2.215 -10.425 1.00 0.00 O ATOM 923 OE2 GLU A 55 -0.787 -0.847 -11.670 1.00 0.00 O ATOM 0 H GLU A 55 -0.191 1.893 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.875 0.820 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.011 -1.140 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.250 0.339 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.140 0.769 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.466 -0.540 -8.572 1.00 0.00 H new ATOM 931 N VAL A 56 -2.266 -0.743 -5.611 1.00 0.00 N ATOM 932 CA VAL A 56 -2.010 -1.654 -4.508 1.00 0.00 C ATOM 933 C VAL A 56 -2.334 -3.065 -4.989 1.00 0.00 C ATOM 934 O VAL A 56 -3.387 -3.274 -5.586 1.00 0.00 O ATOM 935 CB VAL A 56 -2.876 -1.265 -3.300 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.615 -2.224 -2.135 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.575 0.167 -2.842 1.00 0.00 C ATOM 0 H VAL A 56 -3.260 -0.597 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.968 -1.605 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.920 -1.326 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.234 -1.939 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.862 -3.241 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.564 -2.175 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.203 0.415 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.526 0.245 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.783 0.861 -3.657 1.00 0.00 H new ATOM 947 N VAL A 57 -1.443 -4.025 -4.719 1.00 0.00 N ATOM 948 CA VAL A 57 -1.654 -5.436 -5.011 1.00 0.00 C ATOM 949 C VAL A 57 -1.598 -6.186 -3.680 1.00 0.00 C ATOM 950 O VAL A 57 -0.582 -6.791 -3.352 1.00 0.00 O ATOM 951 CB VAL A 57 -0.618 -5.930 -6.042 1.00 0.00 C ATOM 952 CG1 VAL A 57 -0.912 -7.379 -6.460 1.00 0.00 C ATOM 953 CG2 VAL A 57 -0.637 -5.059 -7.307 1.00 0.00 C ATOM 0 H VAL A 57 -0.541 -3.834 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.626 -5.616 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 57 0.360 -5.868 -5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.169 -7.706 -7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.871 -8.026 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.905 -7.435 -6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.103 -5.431 -8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.627 -5.099 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.401 -4.028 -7.043 1.00 0.00 H new ATOM 963 N ALA A 58 -2.691 -6.119 -2.911 1.00 0.00 N ATOM 964 CA ALA A 58 -2.858 -6.819 -1.640 1.00 0.00 C ATOM 965 C ALA A 58 -3.363 -8.239 -1.893 1.00 0.00 C ATOM 966 O ALA A 58 -3.777 -8.534 -3.011 1.00 0.00 O ATOM 967 CB ALA A 58 -3.870 -6.053 -0.791 1.00 0.00 C ATOM 0 H ALA A 58 -3.505 -5.559 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.903 -6.875 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.006 -6.564 0.162 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.504 -5.042 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.824 -6.006 -1.316 1.00 0.00 H new ATOM 973 N GLU A 59 -3.323 -9.121 -0.879 1.00 0.00 N ATOM 974 CA GLU A 59 -3.717 -10.515 -1.055 1.00 0.00 C ATOM 975 C GLU A 59 -4.576 -11.019 0.109 1.00 0.00 C ATOM 976 O GLU A 59 -4.040 -11.225 1.197 1.00 0.00 O ATOM 977 CB GLU A 59 -2.455 -11.387 -1.190 1.00 0.00 C ATOM 978 CG GLU A 59 -1.517 -10.936 -2.313 1.00 0.00 C ATOM 979 CD GLU A 59 -0.496 -12.022 -2.647 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.444 -12.235 -1.881 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.713 -12.704 -3.806 1.00 0.00 O ATOM 0 H GLU A 59 -3.021 -8.886 0.067 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.321 -10.583 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.911 -11.373 -0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.754 -12.420 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.099 -10.694 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.999 -10.025 -2.014 1.00 0.00 H new ATOM 989 N GLY A 60 -5.879 -11.257 -0.101 1.00 0.00 N ATOM 990 CA GLY A 60 -6.769 -11.710 0.969 1.00 0.00 C ATOM 991 C GLY A 60 -7.930 -12.579 0.480 1.00 0.00 C ATOM 992 O GLY A 60 -8.395 -12.426 -0.647 1.00 0.00 O ATOM 0 H GLY A 60 -6.337 -11.142 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.187 -12.274 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.172 -10.840 1.487 1.00 0.00 H new ATOM 996 N TYR A 61 -8.366 -13.509 1.348 1.00 0.00 N ATOM 997 CA TYR A 61 -9.382 -14.529 1.117 1.00 0.00 C ATOM 998 C TYR A 61 -10.727 -13.910 0.696 1.00 0.00 C ATOM 999 O TYR A 61 -11.031 -13.824 -0.489 1.00 0.00 O ATOM 1000 CB TYR A 61 -9.571 -15.317 2.434 1.00 0.00 C ATOM 1001 CG TYR A 61 -8.626 -16.462 2.757 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -7.385 -16.186 3.362 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -9.122 -17.781 2.766 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -6.671 -17.209 4.012 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -8.415 -18.801 3.428 1.00 0.00 C ATOM 1006 CZ TYR A 61 -7.190 -18.513 4.052 1.00 0.00 C ATOM 1007 OH TYR A 61 -6.503 -19.503 4.692 1.00 0.00 O ATOM 0 H TYR A 61 -7.986 -13.564 2.293 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.053 -15.180 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.512 -14.602 3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.584 -15.719 2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.980 -15.185 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.049 -18.010 2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.723 -16.991 4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.814 -19.804 3.456 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.093 -20.272 4.833 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.556 -13.548 1.684 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.972 -13.227 1.542 1.00 0.00 C ATOM 1019 C GLU A 62 -13.342 -12.301 2.698 1.00 0.00 C ATOM 1020 O GLU A 62 -13.529 -11.103 2.503 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.813 -14.505 1.611 1.00 0.00 C ATOM 1022 CG GLU A 62 -13.748 -15.361 0.343 1.00 0.00 C ATOM 1023 CD GLU A 62 -14.714 -16.536 0.442 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -14.296 -17.634 0.802 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -16.013 -16.270 0.123 1.00 0.00 O ATOM 0 H GLU A 62 -11.236 -13.469 2.649 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.163 -12.749 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.478 -15.103 2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.852 -14.235 1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.995 -14.752 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.732 -15.729 0.197 1.00 0.00 H new ATOM 1033 N GLU A 63 -13.393 -12.846 3.919 1.00 0.00 N ATOM 1034 CA GLU A 63 -13.410 -12.061 5.138 1.00 0.00 C ATOM 1035 C GLU A 63 -12.245 -11.070 5.096 1.00 0.00 C ATOM 1036 O GLU A 63 -12.432 -9.869 5.269 1.00 0.00 O ATOM 1037 CB GLU A 63 -13.270 -13.016 6.330 1.00 0.00 C ATOM 1038 CG GLU A 63 -14.505 -13.909 6.512 1.00 0.00 C ATOM 1039 CD GLU A 63 -14.329 -14.856 7.697 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -14.392 -16.069 7.514 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -14.100 -14.269 8.905 1.00 0.00 O ATOM 0 H GLU A 63 -13.424 -13.853 4.080 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.342 -11.504 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.389 -13.643 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.106 -12.437 7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.387 -13.288 6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.677 -14.486 5.604 1.00 0.00 H new ATOM 1049 N ALA A 64 -11.046 -11.591 4.808 1.00 0.00 N ATOM 1050 CA ALA A 64 -9.820 -10.820 4.714 1.00 0.00 C ATOM 1051 C ALA A 64 -9.798 -9.929 3.468 1.00 0.00 C ATOM 1052 O ALA A 64 -9.131 -8.895 3.472 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.636 -11.789 4.751 1.00 0.00 C ATOM 0 H ALA A 64 -10.908 -12.586 4.631 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.754 -10.138 5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.704 -11.228 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.653 -12.349 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.706 -12.481 3.912 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.545 -10.304 2.420 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.715 -9.471 1.234 1.00 0.00 C ATOM 1061 C LEU A 65 -11.509 -8.220 1.616 1.00 0.00 C ATOM 1062 O LEU A 65 -10.971 -7.114 1.616 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.372 -10.294 0.121 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.651 -9.531 -1.172 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -10.412 -8.811 -1.694 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -12.110 -10.543 -2.218 1.00 0.00 C ATOM 0 H LEU A 65 -11.045 -11.192 2.376 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.754 -9.135 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.729 -11.144 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.312 -10.698 0.496 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.411 -8.775 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.659 -8.283 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.065 -8.097 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.625 -9.539 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.318 -10.028 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.326 -11.283 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.015 -11.042 -1.870 1.00 0.00 H new ATOM 1078 N SER A 66 -12.783 -8.417 1.975 1.00 0.00 N ATOM 1079 CA SER A 66 -13.722 -7.386 2.398 1.00 0.00 C ATOM 1080 C SER A 66 -13.150 -6.446 3.456 1.00 0.00 C ATOM 1081 O SER A 66 -13.457 -5.261 3.415 1.00 0.00 O ATOM 1082 CB SER A 66 -15.011 -8.054 2.894 1.00 0.00 C ATOM 1083 OG SER A 66 -14.764 -8.886 4.008 1.00 0.00 O ATOM 0 H SER A 66 -13.202 -9.347 1.976 1.00 0.00 H new ATOM 0 HA SER A 66 -13.935 -6.758 1.533 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.739 -7.289 3.164 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.451 -8.642 2.089 1.00 0.00 H new ATOM 0 HG SER A 66 -13.797 -8.995 4.127 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.327 -6.947 4.385 1.00 0.00 N ATOM 1090 CA LYS A 67 -11.732 -6.123 5.428 1.00 0.00 C ATOM 1091 C LYS A 67 -10.792 -5.053 4.866 1.00 0.00 C ATOM 1092 O LYS A 67 -10.930 -3.884 5.225 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.049 -6.991 6.493 1.00 0.00 C ATOM 1094 CG LYS A 67 -11.844 -6.979 7.806 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.195 -7.698 7.688 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.083 -7.440 8.912 1.00 0.00 C ATOM 1097 NZ LYS A 67 -14.523 -6.056 8.945 1.00 0.00 N ATOM 0 H LYS A 67 -12.060 -7.930 4.430 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.544 -5.583 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.957 -8.014 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.038 -6.624 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.252 -7.453 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.012 -5.947 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.709 -7.361 6.788 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.029 -8.770 7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.949 -8.101 8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.532 -7.673 9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.354 -5.971 9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.756 -5.456 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.775 -5.749 7.984 1.00 0.00 H new ATOM 1110 N LEU A 68 -9.843 -5.423 3.995 1.00 0.00 N ATOM 1111 CA LEU A 68 -8.909 -4.461 3.421 1.00 0.00 C ATOM 1112 C LEU A 68 -9.601 -3.573 2.376 1.00 0.00 C ATOM 1113 O LEU A 68 -9.170 -2.446 2.137 1.00 0.00 O ATOM 1114 CB LEU A 68 -7.692 -5.219 2.875 1.00 0.00 C ATOM 1115 CG LEU A 68 -6.422 -4.403 2.572 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -6.317 -3.961 1.114 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.234 -3.167 3.447 1.00 0.00 C ATOM 0 H LEU A 68 -9.707 -6.382 3.676 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.554 -3.774 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.429 -5.995 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.994 -5.724 1.957 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.630 -5.115 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.399 -3.391 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.303 -4.839 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.174 -3.337 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.314 -2.656 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.080 -2.494 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.173 -3.468 4.493 1.00 0.00 H new ATOM 1129 N LEU A 69 -10.712 -4.042 1.796 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.536 -3.225 0.927 1.00 0.00 C ATOM 1131 C LEU A 69 -12.269 -2.143 1.727 1.00 0.00 C ATOM 1132 O LEU A 69 -12.126 -0.959 1.435 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.535 -4.117 0.169 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.123 -4.472 -1.267 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -12.271 -3.271 -2.200 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.694 -5.007 -1.336 1.00 0.00 C ATOM 0 H LEU A 69 -11.055 -4.994 1.921 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.893 -2.723 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.674 -5.041 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.501 -3.613 0.140 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.798 -5.261 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.972 -3.555 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.310 -2.943 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.637 -2.457 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.444 -5.245 -2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.004 -4.251 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.613 -5.907 -0.726 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.070 -2.543 2.719 1.00 0.00 N ATOM 1149 CA GLU A 70 -13.929 -1.638 3.469 1.00 0.00 C ATOM 1150 C GLU A 70 -13.112 -0.630 4.284 1.00 0.00 C ATOM 1151 O GLU A 70 -13.536 0.513 4.432 1.00 0.00 O ATOM 1152 CB GLU A 70 -14.943 -2.435 4.304 1.00 0.00 C ATOM 1153 CG GLU A 70 -14.346 -3.022 5.586 1.00 0.00 C ATOM 1154 CD GLU A 70 -15.308 -4.012 6.233 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -15.173 -5.215 6.020 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.283 -3.472 7.017 1.00 0.00 O ATOM 0 H GLU A 70 -13.137 -3.514 3.023 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.508 -1.035 2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.778 -1.785 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.347 -3.245 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.404 -3.521 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.119 -2.219 6.287 1.00 0.00 H new ATOM 1164 N ARG A 71 -11.920 -1.039 4.752 1.00 0.00 N ATOM 1165 CA ARG A 71 -10.850 -0.155 5.214 1.00 0.00 C ATOM 1166 C ARG A 71 -10.753 1.081 4.313 1.00 0.00 C ATOM 1167 O ARG A 71 -10.811 2.206 4.807 1.00 0.00 O ATOM 1168 CB ARG A 71 -9.534 -0.961 5.273 1.00 0.00 C ATOM 1169 CG ARG A 71 -8.225 -0.216 4.969 1.00 0.00 C ATOM 1170 CD ARG A 71 -7.848 0.898 5.948 1.00 0.00 C ATOM 1171 NE ARG A 71 -6.744 1.699 5.401 1.00 0.00 N ATOM 1172 CZ ARG A 71 -6.911 2.660 4.477 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -8.135 3.046 4.126 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -5.865 3.245 3.893 1.00 0.00 N ATOM 0 H ARG A 71 -11.673 -2.026 4.819 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.063 0.215 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.450 -1.393 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.618 -1.791 4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.413 -0.943 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.298 0.214 3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.712 1.536 6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.556 0.468 6.906 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.800 1.516 5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.950 2.612 4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.258 3.776 3.424 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.917 2.965 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.012 3.973 3.194 1.00 0.00 H new ATOM 1188 N ILE A 72 -10.613 0.881 2.998 1.00 0.00 N ATOM 1189 CA ILE A 72 -10.524 1.970 2.034 1.00 0.00 C ATOM 1190 C ILE A 72 -11.852 2.711 1.910 1.00 0.00 C ATOM 1191 O ILE A 72 -11.870 3.934 2.012 1.00 0.00 O ATOM 1192 CB ILE A 72 -9.953 1.495 0.689 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -8.474 1.103 0.873 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -10.073 2.608 -0.367 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.006 0.184 -0.259 1.00 0.00 C ATOM 0 H ILE A 72 -10.559 -0.046 2.576 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.808 2.700 2.411 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.520 0.630 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.856 2.001 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.343 0.601 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.664 2.256 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.122 2.872 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.518 3.485 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.959 -0.078 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.610 -0.723 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.115 0.698 -1.214 1.00 0.00 H new ATOM 1207 N LYS A 73 -12.953 1.999 1.653 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.194 2.662 1.273 1.00 0.00 C ATOM 1209 C LYS A 73 -14.716 3.558 2.404 1.00 0.00 C ATOM 1210 O LYS A 73 -15.197 4.658 2.140 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.232 1.628 0.812 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.025 1.196 -0.654 1.00 0.00 C ATOM 1213 CD LYS A 73 -13.817 0.276 -0.896 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.490 0.122 -2.383 1.00 0.00 C ATOM 1215 NZ LYS A 73 -14.585 -0.500 -3.098 1.00 0.00 N ATOM 0 H LYS A 73 -13.007 0.982 1.701 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.995 3.321 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.178 0.751 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.232 2.046 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.925 0.686 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.911 2.090 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.948 0.678 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.020 -0.706 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.279 1.100 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.588 -0.479 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.206 -1.161 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.187 -1.019 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.149 0.232 -3.574 1.00 0.00 H new ATOM 1228 N GLN A 74 -14.584 3.106 3.658 1.00 0.00 N ATOM 1229 CA GLN A 74 -14.918 3.887 4.843 1.00 0.00 C ATOM 1230 C GLN A 74 -13.847 4.942 5.140 1.00 0.00 C ATOM 1231 O GLN A 74 -14.191 6.044 5.564 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.108 2.967 6.058 1.00 0.00 C ATOM 1233 CG GLN A 74 -16.262 1.968 5.885 1.00 0.00 C ATOM 1234 CD GLN A 74 -17.600 2.654 5.613 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -18.234 2.399 4.592 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -18.033 3.531 6.521 1.00 0.00 N ATOM 0 H GLN A 74 -14.236 2.172 3.875 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.855 4.407 4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.184 2.417 6.238 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.293 3.577 6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.031 1.292 5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.347 1.358 6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.478 3.716 7.357 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -18.919 4.016 6.379 1.00 0.00 H new ATOM 1245 N GLY A 75 -12.564 4.612 4.934 1.00 0.00 N ATOM 1246 CA GLY A 75 -11.438 5.504 5.174 1.00 0.00 C ATOM 1247 C GLY A 75 -10.726 5.861 3.867 1.00 0.00 C ATOM 1248 O GLY A 75 -9.644 5.334 3.616 1.00 0.00 O ATOM 0 H GLY A 75 -12.282 3.695 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.789 6.414 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.734 5.029 5.857 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.305 6.732 3.021 1.00 0.00 N ATOM 1253 CA PRO A 76 -10.750 7.084 1.719 1.00 0.00 C ATOM 1254 C PRO A 76 -9.542 8.021 1.852 1.00 0.00 C ATOM 1255 O PRO A 76 -9.340 8.618 2.910 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.903 7.769 0.976 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.711 8.409 2.102 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.599 7.365 3.208 1.00 0.00 C ATOM 0 HA PRO A 76 -10.379 6.208 1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.540 8.513 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.499 7.053 0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.297 9.370 2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.747 8.586 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.670 7.828 4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.406 6.635 3.140 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.734 8.169 0.788 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.611 9.092 0.763 1.00 0.00 C ATOM 1268 C PRO A 77 -8.135 10.522 0.610 1.00 0.00 C ATOM 1269 O PRO A 77 -8.919 10.803 -0.296 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.757 8.672 -0.433 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.758 8.017 -1.381 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.869 7.478 -0.483 1.00 0.00 C ATOM 0 HA PRO A 77 -7.022 9.066 1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.268 9.529 -0.897 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.970 7.977 -0.139 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.148 8.737 -2.100 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.291 7.216 -1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.849 7.661 -0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.775 6.400 -0.352 1.00 0.00 H new ATOM 1280 N ALA A 78 -7.697 11.421 1.499 1.00 0.00 N ATOM 1281 CA ALA A 78 -8.132 12.809 1.530 1.00 0.00 C ATOM 1282 C ALA A 78 -7.352 13.627 0.497 1.00 0.00 C ATOM 1283 O ALA A 78 -6.581 14.515 0.858 1.00 0.00 O ATOM 1284 CB ALA A 78 -7.952 13.365 2.948 1.00 0.00 C ATOM 0 H ALA A 78 -7.019 11.194 2.226 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.188 12.874 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.277 14.405 2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.550 12.780 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.901 13.306 3.231 1.00 0.00 H new ATOM 1290 N ALA A 79 -7.548 13.318 -0.790 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.855 13.974 -1.886 1.00 0.00 C ATOM 1292 C ALA A 79 -7.597 13.729 -3.197 1.00 0.00 C ATOM 1293 O ALA A 79 -7.139 12.934 -4.017 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.428 13.454 -1.983 1.00 0.00 C ATOM 0 H ALA A 79 -8.201 12.596 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.826 15.047 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.915 13.950 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.902 13.660 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.444 12.379 -2.161 1.00 0.00 H new ATOM 1300 N GLU A 80 -8.734 14.420 -3.365 1.00 0.00 N ATOM 1301 CA GLU A 80 -9.668 14.299 -4.483 1.00 0.00 C ATOM 1302 C GLU A 80 -9.656 12.882 -5.051 1.00 0.00 C ATOM 1303 O GLU A 80 -9.116 12.650 -6.131 1.00 0.00 O ATOM 1304 CB GLU A 80 -9.379 15.377 -5.547 1.00 0.00 C ATOM 1305 CG GLU A 80 -10.582 15.689 -6.453 1.00 0.00 C ATOM 1306 CD GLU A 80 -11.026 14.505 -7.308 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -10.525 14.333 -8.417 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -11.970 13.695 -6.751 1.00 0.00 O ATOM 0 H GLU A 80 -9.039 15.116 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.681 14.477 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.064 16.293 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.544 15.049 -6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.418 16.013 -5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.327 16.523 -7.107 1.00 0.00 H new ATOM 1316 N VAL A 81 -10.229 11.936 -4.302 1.00 0.00 N ATOM 1317 CA VAL A 81 -10.282 10.546 -4.713 1.00 0.00 C ATOM 1318 C VAL A 81 -11.242 10.405 -5.890 1.00 0.00 C ATOM 1319 O VAL A 81 -12.442 10.214 -5.708 1.00 0.00 O ATOM 1320 CB VAL A 81 -10.600 9.636 -3.514 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -11.938 9.875 -2.802 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -10.497 8.162 -3.938 1.00 0.00 C ATOM 0 H VAL A 81 -10.665 12.119 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.307 10.211 -5.068 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.848 9.902 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.042 9.171 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.968 10.894 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.756 9.731 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.723 7.522 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.208 7.963 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.486 7.954 -4.290 1.00 0.00 H new ATOM 1332 N GLU A 82 -10.697 10.540 -7.104 1.00 0.00 N ATOM 1333 CA GLU A 82 -11.448 10.464 -8.342 1.00 0.00 C ATOM 1334 C GLU A 82 -12.305 9.197 -8.360 1.00 0.00 C ATOM 1335 O GLU A 82 -13.522 9.289 -8.502 1.00 0.00 O ATOM 1336 CB GLU A 82 -10.484 10.544 -9.533 1.00 0.00 C ATOM 1337 CG GLU A 82 -11.203 10.494 -10.888 1.00 0.00 C ATOM 1338 CD GLU A 82 -12.238 11.606 -11.050 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -13.418 11.311 -11.226 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -11.763 12.882 -10.982 1.00 0.00 O ATOM 0 H GLU A 82 -9.701 10.708 -7.246 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.132 11.309 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.908 11.467 -9.467 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.773 9.720 -9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.467 10.570 -11.688 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.695 9.527 -10.998 1.00 0.00 H new ATOM 1348 N LYS A 83 -11.666 8.033 -8.169 1.00 0.00 N ATOM 1349 CA LYS A 83 -12.345 6.753 -7.984 1.00 0.00 C ATOM 1350 C LYS A 83 -11.348 5.675 -7.560 1.00 0.00 C ATOM 1351 O LYS A 83 -10.246 5.619 -8.090 1.00 0.00 O ATOM 1352 CB LYS A 83 -13.076 6.317 -9.268 1.00 0.00 C ATOM 1353 CG LYS A 83 -12.148 6.205 -10.490 1.00 0.00 C ATOM 1354 CD LYS A 83 -12.906 5.837 -11.772 1.00 0.00 C ATOM 1355 CE LYS A 83 -13.750 7.001 -12.305 1.00 0.00 C ATOM 1356 NZ LYS A 83 -14.331 6.638 -13.583 1.00 0.00 N ATOM 0 H LYS A 83 -10.649 7.959 -8.139 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.087 6.882 -7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.555 5.353 -9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.869 7.032 -9.487 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.631 7.153 -10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.384 5.452 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.193 5.528 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.553 4.982 -11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.538 7.247 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.131 7.891 -12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.903 7.429 -13.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.572 6.424 -14.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.936 5.800 -13.464 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.730 4.788 -6.639 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.993 3.553 -6.402 1.00 0.00 C ATOM 1371 C VAL A 84 -11.663 2.433 -7.200 1.00 0.00 C ATOM 1372 O VAL A 84 -12.512 1.703 -6.689 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.816 3.282 -4.899 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -12.091 3.473 -4.075 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -10.188 1.901 -4.667 1.00 0.00 C ATOM 0 H VAL A 84 -12.550 4.906 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.968 3.629 -6.765 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.129 4.045 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.881 3.263 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.439 4.501 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.862 2.792 -4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.072 1.729 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.834 1.132 -5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.211 1.860 -5.149 1.00 0.00 H new ATOM 1385 N ASP A 85 -11.292 2.324 -8.480 1.00 0.00 N ATOM 1386 CA ASP A 85 -11.864 1.361 -9.404 1.00 0.00 C ATOM 1387 C ASP A 85 -11.035 0.085 -9.316 1.00 0.00 C ATOM 1388 O ASP A 85 -10.204 -0.184 -10.183 1.00 0.00 O ATOM 1389 CB ASP A 85 -11.887 1.960 -10.818 1.00 0.00 C ATOM 1390 CG ASP A 85 -12.417 0.975 -11.857 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -11.767 0.769 -12.880 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -13.605 0.373 -11.564 1.00 0.00 O ATOM 0 H ASP A 85 -10.575 2.915 -8.901 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.896 1.119 -9.151 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.508 2.856 -10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.879 2.270 -11.095 1.00 0.00 H new ATOM 1398 N TYR A 86 -11.245 -0.683 -8.241 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.486 -1.900 -8.007 1.00 0.00 C ATOM 1400 C TYR A 86 -10.901 -2.998 -8.988 1.00 0.00 C ATOM 1401 O TYR A 86 -11.984 -2.947 -9.572 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.620 -2.363 -6.548 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.937 -3.028 -6.192 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -13.066 -2.246 -5.887 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -12.021 -4.433 -6.130 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -14.275 -2.865 -5.525 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -13.225 -5.049 -5.744 1.00 0.00 C ATOM 1408 CZ TYR A 86 -14.346 -4.265 -5.427 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.503 -4.864 -5.020 1.00 0.00 O ATOM 0 H TYR A 86 -11.938 -0.476 -7.522 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.432 -1.683 -8.183 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.811 -3.060 -6.330 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.481 -1.500 -5.897 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.004 -1.169 -5.931 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.161 -5.037 -6.379 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -15.149 -2.265 -5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.287 -6.126 -5.691 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.381 -5.836 -5.008 1.00 0.00 H new ATOM 1419 N SER A 87 -10.031 -3.998 -9.161 1.00 0.00 N ATOM 1420 CA SER A 87 -10.274 -5.140 -10.025 1.00 0.00 C ATOM 1421 C SER A 87 -9.526 -6.343 -9.463 1.00 0.00 C ATOM 1422 O SER A 87 -8.338 -6.519 -9.726 1.00 0.00 O ATOM 1423 CB SER A 87 -9.828 -4.830 -11.458 1.00 0.00 C ATOM 1424 OG SER A 87 -10.490 -3.686 -11.956 1.00 0.00 O ATOM 0 H SER A 87 -9.125 -4.030 -8.693 1.00 0.00 H new ATOM 0 HA SER A 87 -11.340 -5.364 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.750 -4.670 -11.481 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.037 -5.685 -12.101 1.00 0.00 H new ATOM 0 HG SER A 87 -10.189 -3.506 -12.871 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.228 -7.167 -8.680 1.00 0.00 N ATOM 1431 CA PHE A 88 -9.666 -8.339 -8.034 1.00 0.00 C ATOM 1432 C PHE A 88 -9.148 -9.327 -9.092 1.00 0.00 C ATOM 1433 O PHE A 88 -9.765 -9.463 -10.149 1.00 0.00 O ATOM 1434 CB PHE A 88 -10.719 -8.937 -7.086 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.474 -10.137 -7.627 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -12.580 -9.956 -8.476 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -10.991 -11.434 -7.375 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -13.204 -11.069 -9.066 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -11.608 -12.547 -7.971 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.714 -12.364 -8.818 1.00 0.00 C ATOM 0 H PHE A 88 -11.218 -7.029 -8.479 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.801 -8.075 -7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.225 -9.227 -6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.440 -8.159 -6.833 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.950 -8.961 -8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.143 -11.575 -6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.060 -10.930 -9.710 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.233 -13.541 -7.778 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.188 -13.218 -9.279 1.00 0.00 H new ATOM 1450 N SER A 89 -8.004 -9.979 -8.834 1.00 0.00 N ATOM 1451 CA SER A 89 -7.330 -10.838 -9.801 1.00 0.00 C ATOM 1452 C SER A 89 -6.909 -12.167 -9.171 1.00 0.00 C ATOM 1453 O SER A 89 -7.090 -12.391 -7.977 1.00 0.00 O ATOM 1454 CB SER A 89 -6.110 -10.116 -10.389 1.00 0.00 C ATOM 1455 OG SER A 89 -6.402 -8.766 -10.690 1.00 0.00 O ATOM 0 H SER A 89 -7.522 -9.920 -7.937 1.00 0.00 H new ATOM 0 HA SER A 89 -8.035 -11.059 -10.603 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.283 -10.161 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.783 -10.629 -11.294 1.00 0.00 H new ATOM 0 HG SER A 89 -5.605 -8.334 -11.061 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.328 -13.048 -9.990 1.00 0.00 N ATOM 1462 CA GLU A 90 -5.834 -14.354 -9.621 1.00 0.00 C ATOM 1463 C GLU A 90 -4.365 -14.216 -9.222 1.00 0.00 C ATOM 1464 O GLU A 90 -3.573 -13.708 -10.016 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.015 -15.215 -10.875 1.00 0.00 C ATOM 1466 CG GLU A 90 -5.229 -16.516 -10.865 1.00 0.00 C ATOM 1467 CD GLU A 90 -5.622 -17.441 -9.718 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -4.773 -17.780 -8.900 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -6.928 -17.831 -9.683 1.00 0.00 O ATOM 0 H GLU A 90 -6.188 -12.847 -10.980 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.355 -14.804 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.074 -15.446 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.717 -14.632 -11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.383 -17.034 -11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.165 -16.291 -10.794 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.002 -14.649 -8.006 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.642 -14.552 -7.507 1.00 0.00 C ATOM 1479 C TYR A 91 -1.640 -15.227 -8.441 1.00 0.00 C ATOM 1480 O TYR A 91 -1.749 -16.418 -8.728 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.551 -15.078 -6.069 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.626 -16.581 -5.865 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.851 -17.260 -5.998 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.483 -17.288 -5.446 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.931 -18.636 -5.722 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -1.566 -18.661 -5.155 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.794 -19.334 -5.281 1.00 0.00 C ATOM 1488 OH TYR A 91 -2.878 -20.660 -4.973 1.00 0.00 O ATOM 0 H TYR A 91 -4.653 -15.076 -7.347 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.368 -13.497 -7.485 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.612 -14.727 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.354 -14.620 -5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.733 -16.722 -6.313 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.538 -16.774 -5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.868 -19.158 -5.849 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.686 -19.199 -4.835 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.758 -20.851 -4.587 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.658 -14.448 -8.906 1.00 0.00 N ATOM 1499 CA LYS A 92 0.495 -14.958 -9.627 1.00 0.00 C ATOM 1500 C LYS A 92 1.322 -15.825 -8.679 1.00 0.00 C ATOM 1501 O LYS A 92 1.704 -16.941 -9.025 1.00 0.00 O ATOM 1502 CB LYS A 92 1.304 -13.774 -10.172 1.00 0.00 C ATOM 1503 CG LYS A 92 2.622 -14.183 -10.841 1.00 0.00 C ATOM 1504 CD LYS A 92 2.401 -15.093 -12.057 1.00 0.00 C ATOM 1505 CE LYS A 92 3.682 -15.262 -12.884 1.00 0.00 C ATOM 1506 NZ LYS A 92 4.735 -15.871 -12.092 1.00 0.00 N ATOM 0 H LYS A 92 -0.649 -13.435 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 92 0.190 -15.575 -10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.694 -13.230 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.520 -13.086 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.161 -13.289 -11.153 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.251 -14.698 -10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.054 -16.070 -11.721 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.615 -14.674 -12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.476 -15.880 -13.758 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.013 -14.291 -13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.537 -16.114 -12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.051 -15.202 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.373 -16.734 -11.638 1.00 0.00 H new ATOM 1519 N GLY A 93 1.586 -15.301 -7.476 1.00 0.00 N ATOM 1520 CA GLY A 93 2.309 -16.007 -6.438 1.00 0.00 C ATOM 1521 C GLY A 93 2.161 -15.276 -5.105 1.00 0.00 C ATOM 1522 O GLY A 93 1.212 -14.515 -4.909 1.00 0.00 O ATOM 0 H GLY A 93 1.295 -14.362 -7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.929 -17.025 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.363 -16.082 -6.705 1.00 0.00 H new ATOM 1526 N GLU A 94 3.114 -15.510 -4.198 1.00 0.00 N ATOM 1527 CA GLU A 94 3.175 -14.892 -2.888 1.00 0.00 C ATOM 1528 C GLU A 94 3.961 -13.583 -2.981 1.00 0.00 C ATOM 1529 O GLU A 94 5.181 -13.586 -3.127 1.00 0.00 O ATOM 1530 CB GLU A 94 3.738 -15.870 -1.844 1.00 0.00 C ATOM 1531 CG GLU A 94 5.012 -16.626 -2.246 1.00 0.00 C ATOM 1532 CD GLU A 94 5.608 -17.410 -1.077 1.00 0.00 C ATOM 1533 OE1 GLU A 94 4.957 -17.568 -0.045 1.00 0.00 O ATOM 1534 OE2 GLU A 94 6.870 -17.891 -1.267 1.00 0.00 O ATOM 0 H GLU A 94 3.884 -16.156 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 94 2.170 -14.644 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.943 -15.315 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.965 -16.601 -1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.784 -17.311 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.751 -15.917 -2.621 1.00 0.00 H new ATOM 1542 N PHE A 95 3.249 -12.457 -2.887 1.00 0.00 N ATOM 1543 CA PHE A 95 3.833 -11.129 -2.794 1.00 0.00 C ATOM 1544 C PHE A 95 4.322 -10.931 -1.359 1.00 0.00 C ATOM 1545 O PHE A 95 3.685 -10.219 -0.589 1.00 0.00 O ATOM 1546 CB PHE A 95 2.787 -10.069 -3.172 1.00 0.00 C ATOM 1547 CG PHE A 95 2.483 -9.936 -4.655 1.00 0.00 C ATOM 1548 CD1 PHE A 95 1.904 -11.001 -5.372 1.00 0.00 C ATOM 1549 CD2 PHE A 95 2.802 -8.742 -5.330 1.00 0.00 C ATOM 1550 CE1 PHE A 95 1.706 -10.899 -6.758 1.00 0.00 C ATOM 1551 CE2 PHE A 95 2.599 -8.636 -6.717 1.00 0.00 C ATOM 1552 CZ PHE A 95 2.064 -9.719 -7.434 1.00 0.00 C ATOM 0 H PHE A 95 2.229 -12.450 -2.874 1.00 0.00 H new ATOM 0 HA PHE A 95 4.670 -11.026 -3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.859 -10.300 -2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.128 -9.102 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.611 -11.901 -4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.204 -7.904 -4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.279 -11.727 -7.305 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.854 -7.721 -7.232 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.928 -9.646 -8.503 1.00 0.00 H new ATOM 1562 N GLU A 96 5.433 -11.592 -1.005 1.00 0.00 N ATOM 1563 CA GLU A 96 5.996 -11.663 0.340 1.00 0.00 C ATOM 1564 C GLU A 96 6.071 -10.293 1.021 1.00 0.00 C ATOM 1565 O GLU A 96 6.456 -9.313 0.386 1.00 0.00 O ATOM 1566 CB GLU A 96 7.395 -12.285 0.277 1.00 0.00 C ATOM 1567 CG GLU A 96 7.352 -13.752 -0.165 1.00 0.00 C ATOM 1568 CD GLU A 96 8.746 -14.373 -0.159 1.00 0.00 C ATOM 1569 OE1 GLU A 96 9.282 -14.666 -1.224 1.00 0.00 O ATOM 1570 OE2 GLU A 96 9.308 -14.561 1.069 1.00 0.00 O ATOM 0 H GLU A 96 5.986 -12.115 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 96 5.330 -12.284 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.014 -11.716 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.867 -12.215 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.697 -14.316 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.925 -13.820 -1.166 1.00 0.00 H new ATOM 1578 N ASP A 97 5.700 -10.240 2.311 1.00 0.00 N ATOM 1579 CA ASP A 97 5.575 -9.006 3.084 1.00 0.00 C ATOM 1580 C ASP A 97 4.480 -8.139 2.466 1.00 0.00 C ATOM 1581 O ASP A 97 3.702 -8.616 1.646 1.00 0.00 O ATOM 1582 CB ASP A 97 6.923 -8.270 3.204 1.00 0.00 C ATOM 1583 CG ASP A 97 8.032 -9.184 3.718 1.00 0.00 C ATOM 1584 OD1 ASP A 97 8.128 -9.395 4.925 1.00 0.00 O ATOM 1585 OD2 ASP A 97 8.861 -9.712 2.773 1.00 0.00 O ATOM 0 H ASP A 97 5.475 -11.075 2.852 1.00 0.00 H new ATOM 0 HA ASP A 97 5.284 -9.246 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.205 -7.870 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.813 -7.420 3.878 1.00 0.00 H new ATOM 1591 N PHE A 98 4.412 -6.861 2.839 1.00 0.00 N ATOM 1592 CA PHE A 98 3.558 -5.909 2.152 1.00 0.00 C ATOM 1593 C PHE A 98 4.167 -4.520 2.314 1.00 0.00 C ATOM 1594 O PHE A 98 3.768 -3.772 3.205 1.00 0.00 O ATOM 1595 CB PHE A 98 2.124 -6.019 2.682 1.00 0.00 C ATOM 1596 CG PHE A 98 1.031 -5.314 1.902 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.300 -4.386 0.876 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.300 -5.602 2.239 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.245 -3.799 0.163 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.356 -4.977 1.560 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.084 -4.091 0.508 1.00 0.00 C ATOM 0 H PHE A 98 4.942 -6.466 3.616 1.00 0.00 H new ATOM 0 HA PHE A 98 3.498 -6.120 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.867 -7.077 2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.112 -5.633 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.321 -4.126 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.513 -6.310 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.455 -3.122 -0.652 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.378 -5.178 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.897 -3.633 -0.037 1.00 0.00 H new ATOM 1611 N GLU A 99 5.146 -4.191 1.459 1.00 0.00 N ATOM 1612 CA GLU A 99 5.948 -2.980 1.608 1.00 0.00 C ATOM 1613 C GLU A 99 5.580 -1.975 0.516 1.00 0.00 C ATOM 1614 O GLU A 99 4.928 -2.328 -0.464 1.00 0.00 O ATOM 1615 CB GLU A 99 7.439 -3.347 1.619 1.00 0.00 C ATOM 1616 CG GLU A 99 8.341 -2.140 1.915 1.00 0.00 C ATOM 1617 CD GLU A 99 9.788 -2.574 2.124 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.245 -2.631 3.263 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.487 -2.878 0.994 1.00 0.00 O ATOM 0 H GLU A 99 5.399 -4.758 0.650 1.00 0.00 H new ATOM 0 HA GLU A 99 5.735 -2.496 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.614 -4.119 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.712 -3.772 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.287 -1.430 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.981 -1.623 2.804 1.00 0.00 H new ATOM 1627 N THR A 100 5.960 -0.710 0.729 1.00 0.00 N ATOM 1628 CA THR A 100 5.481 0.424 -0.041 1.00 0.00 C ATOM 1629 C THR A 100 6.618 1.059 -0.854 1.00 0.00 C ATOM 1630 O THR A 100 7.703 1.284 -0.318 1.00 0.00 O ATOM 1631 CB THR A 100 4.769 1.421 0.903 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.608 2.491 1.285 1.00 0.00 O ATOM 1633 CG2 THR A 100 4.237 0.769 2.191 1.00 0.00 C ATOM 0 H THR A 100 6.623 -0.450 1.459 1.00 0.00 H new ATOM 0 HA THR A 100 4.748 0.091 -0.775 1.00 0.00 H new ATOM 0 HB THR A 100 3.929 1.789 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.117 3.096 1.879 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.750 1.525 2.807 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.518 -0.009 1.935 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.066 0.329 2.745 1.00 0.00 H new ATOM 1641 N TYR A 101 6.370 1.356 -2.139 1.00 0.00 N ATOM 1642 CA TYR A 101 7.207 2.276 -2.913 1.00 0.00 C ATOM 1643 C TYR A 101 6.770 3.707 -2.601 1.00 0.00 C ATOM 1644 O TYR A 101 7.654 4.593 -2.625 1.00 0.00 O ATOM 1645 CB TYR A 101 7.118 2.036 -4.434 1.00 0.00 C ATOM 1646 CG TYR A 101 7.648 0.719 -4.983 1.00 0.00 C ATOM 1647 CD1 TYR A 101 8.805 0.125 -4.447 1.00 0.00 C ATOM 1648 CD2 TYR A 101 6.999 0.092 -6.064 1.00 0.00 C ATOM 1649 CE1 TYR A 101 9.236 -1.133 -4.901 1.00 0.00 C ATOM 1650 CE2 TYR A 101 7.403 -1.184 -6.494 1.00 0.00 C ATOM 1651 CZ TYR A 101 8.507 -1.809 -5.892 1.00 0.00 C ATOM 1652 OH TYR A 101 8.870 -3.070 -6.263 1.00 0.00 O ATOM 1653 OXT TYR A 101 5.562 3.900 -2.347 1.00 0.00 O ATOM 0 H TYR A 101 5.588 0.966 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 101 8.244 2.103 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.071 2.121 -4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.654 2.845 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 101 9.366 0.640 -3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.186 0.595 -6.566 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.128 -1.580 -4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.865 -1.683 -7.286 1.00 0.00 H new ATOM 0 HH TYR A 101 8.261 -3.394 -6.959 1.00 0.00 H new TER 1663 TYR A 101