USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 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 61 GLN : amide:sc= -0.775 K(o=-0.78,f=-1.3) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 CYS SG : rot 45:sc= 0.678 USER MOD Set 2.2: A 51 HIS : no HD1:sc= -2.69! X(o=-2!,f=-2.3) USER MOD Set 3.1: A 17 SER OG : rot 11:sc= 1.33 USER MOD Set 3.2: A 24 MET CE :methyl -155:sc= -0.956 (180deg=-1.89) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0308 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -123:sc= -5.77 (180deg=-7.53!) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.0395 (180deg=-0.245) USER MOD Single : A 15 THR OG1 : rot -160:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -166:sc= 0 (180deg=-0.0891) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -155:sc=-0.00377 (180deg=-0.757) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.444 X(o=0.44,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 49 CYS SG : rot 156:sc= 0.403 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0982 F(o=-1.7!,f=-0.098) USER MOD Single : A 64 MET CE :methyl -132:sc= -1.35 (180deg=-2.59!) USER MOD Single : A 67 CYS SG : rot 29:sc= 0.305 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0496) USER MOD Single : A 91 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.1!) USER MOD Single : A 94 SER OG : rot -73:sc= 0.958 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc=-0.00363 X(o=-0.0036,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 143:sc= -0.247 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.072 7.656 -29.056 1.00 0.00 N ATOM 2 CA GLY A 1 -11.130 8.784 -29.966 1.00 0.00 C ATOM 3 C GLY A 1 -9.762 9.186 -30.479 1.00 0.00 C ATOM 4 O GLY A 1 -8.867 8.350 -30.601 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.775 6.944 -29.340 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.121 7.235 -29.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.278 7.979 -28.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.772 8.533 -30.810 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.588 9.633 -29.459 1.00 0.00 H new ATOM 8 N SER A 2 -9.599 10.470 -30.783 1.00 0.00 N ATOM 9 CA SER A 2 -8.331 10.980 -31.291 1.00 0.00 C ATOM 10 C SER A 2 -7.633 11.842 -30.243 1.00 0.00 C ATOM 11 O SER A 2 -8.240 12.247 -29.252 1.00 0.00 O ATOM 12 CB SER A 2 -8.559 11.793 -32.567 1.00 0.00 C ATOM 13 OG SER A 2 -7.330 12.102 -33.201 1.00 0.00 O ATOM 0 H SER A 2 -10.329 11.176 -30.686 1.00 0.00 H new ATOM 0 HA SER A 2 -7.691 10.128 -31.521 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.194 11.231 -33.252 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.089 12.714 -32.325 1.00 0.00 H new ATOM 0 HG SER A 2 -7.503 12.620 -34.015 1.00 0.00 H new ATOM 19 N SER A 3 -6.353 12.118 -30.471 1.00 0.00 N ATOM 20 CA SER A 3 -5.569 12.929 -29.545 1.00 0.00 C ATOM 21 C SER A 3 -4.245 13.347 -30.177 1.00 0.00 C ATOM 22 O SER A 3 -3.546 12.532 -30.778 1.00 0.00 O ATOM 23 CB SER A 3 -5.309 12.155 -28.251 1.00 0.00 C ATOM 24 OG SER A 3 -4.616 12.955 -27.309 1.00 0.00 O ATOM 0 H SER A 3 -5.837 11.793 -31.288 1.00 0.00 H new ATOM 0 HA SER A 3 -6.140 13.828 -29.313 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.256 11.824 -27.825 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.728 11.259 -28.470 1.00 0.00 H new ATOM 0 HG SER A 3 -4.463 12.438 -26.490 1.00 0.00 H new ATOM 30 N GLY A 4 -3.906 14.625 -30.034 1.00 0.00 N ATOM 31 CA GLY A 4 -2.667 15.130 -30.596 1.00 0.00 C ATOM 32 C GLY A 4 -1.444 14.596 -29.876 1.00 0.00 C ATOM 33 O GLY A 4 -0.938 15.226 -28.947 1.00 0.00 O ATOM 0 H GLY A 4 -4.467 15.319 -29.539 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.612 14.858 -31.650 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.667 16.219 -30.548 1.00 0.00 H new ATOM 37 N SER A 5 -0.969 13.431 -30.305 1.00 0.00 N ATOM 38 CA SER A 5 0.199 12.810 -29.691 1.00 0.00 C ATOM 39 C SER A 5 1.285 13.846 -29.418 1.00 0.00 C ATOM 40 O SER A 5 1.802 14.477 -30.340 1.00 0.00 O ATOM 41 CB SER A 5 0.748 11.704 -30.595 1.00 0.00 C ATOM 42 OG SER A 5 1.908 11.116 -30.033 1.00 0.00 O ATOM 0 H SER A 5 -1.375 12.899 -31.075 1.00 0.00 H new ATOM 0 HA SER A 5 -0.109 12.374 -28.741 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.015 10.940 -30.745 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.984 12.116 -31.576 1.00 0.00 H new ATOM 0 HG SER A 5 2.239 10.411 -30.628 1.00 0.00 H new ATOM 48 N SER A 6 1.626 14.014 -28.145 1.00 0.00 N ATOM 49 CA SER A 6 2.648 14.976 -27.748 1.00 0.00 C ATOM 50 C SER A 6 3.782 14.285 -26.997 1.00 0.00 C ATOM 51 O SER A 6 4.942 14.352 -27.403 1.00 0.00 O ATOM 52 CB SER A 6 2.035 16.071 -26.873 1.00 0.00 C ATOM 53 OG SER A 6 3.041 16.810 -26.202 1.00 0.00 O ATOM 0 H SER A 6 1.210 13.497 -27.371 1.00 0.00 H new ATOM 0 HA SER A 6 3.056 15.429 -28.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.437 16.742 -27.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.361 15.623 -26.143 1.00 0.00 H new ATOM 0 HG SER A 6 2.624 17.505 -25.651 1.00 0.00 H new ATOM 59 N GLY A 7 3.438 13.620 -25.898 1.00 0.00 N ATOM 60 CA GLY A 7 4.437 12.926 -25.107 1.00 0.00 C ATOM 61 C GLY A 7 4.004 11.525 -24.726 1.00 0.00 C ATOM 62 O GLY A 7 3.651 10.721 -25.589 1.00 0.00 O ATOM 0 H GLY A 7 2.485 13.550 -25.542 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.369 12.874 -25.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.641 13.498 -24.202 1.00 0.00 H new ATOM 66 N ARG A 8 4.032 11.230 -23.430 1.00 0.00 N ATOM 67 CA ARG A 8 3.642 9.915 -22.937 1.00 0.00 C ATOM 68 C ARG A 8 3.362 9.958 -21.438 1.00 0.00 C ATOM 69 O ARG A 8 3.651 10.951 -20.769 1.00 0.00 O ATOM 70 CB ARG A 8 4.738 8.890 -23.233 1.00 0.00 C ATOM 71 CG ARG A 8 6.011 9.110 -22.432 1.00 0.00 C ATOM 72 CD ARG A 8 6.892 10.175 -23.067 1.00 0.00 C ATOM 73 NE ARG A 8 8.020 10.533 -22.212 1.00 0.00 N ATOM 74 CZ ARG A 8 7.904 11.266 -21.110 1.00 0.00 C ATOM 75 NH1 ARG A 8 6.715 11.715 -20.731 1.00 0.00 N ATOM 76 NH2 ARG A 8 8.978 11.550 -20.384 1.00 0.00 N ATOM 0 H ARG A 8 4.321 11.884 -22.703 1.00 0.00 H new ATOM 0 HA ARG A 8 2.728 9.618 -23.452 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.355 7.891 -23.024 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.977 8.923 -24.296 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.755 9.407 -21.415 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.564 8.173 -22.361 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.264 9.813 -24.026 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.296 11.064 -23.272 1.00 0.00 H new ATOM 0 HE ARG A 8 8.948 10.202 -22.475 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.887 11.498 -21.286 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.628 12.278 -19.885 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.894 11.205 -20.672 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.888 12.113 -19.538 1.00 0.00 H new ATOM 90 N PHE A 9 2.798 8.874 -20.915 1.00 0.00 N ATOM 91 CA PHE A 9 2.477 8.788 -19.495 1.00 0.00 C ATOM 92 C PHE A 9 3.077 7.528 -18.878 1.00 0.00 C ATOM 93 O PHE A 9 2.457 6.878 -18.035 1.00 0.00 O ATOM 94 CB PHE A 9 0.961 8.796 -19.292 1.00 0.00 C ATOM 95 CG PHE A 9 0.317 10.109 -19.635 1.00 0.00 C ATOM 96 CD1 PHE A 9 0.278 11.140 -18.710 1.00 0.00 C ATOM 97 CD2 PHE A 9 -0.249 10.313 -20.883 1.00 0.00 C ATOM 98 CE1 PHE A 9 -0.313 12.349 -19.023 1.00 0.00 C ATOM 99 CE2 PHE A 9 -0.841 11.520 -21.202 1.00 0.00 C ATOM 100 CZ PHE A 9 -0.874 12.539 -20.270 1.00 0.00 C ATOM 0 H PHE A 9 2.554 8.043 -21.453 1.00 0.00 H new ATOM 0 HA PHE A 9 2.908 9.657 -18.997 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.516 8.011 -19.904 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.740 8.553 -18.253 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.715 10.997 -17.733 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.227 9.519 -21.615 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.336 13.145 -18.293 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.277 11.667 -22.179 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.338 13.483 -20.516 1.00 0.00 H new ATOM 110 N THR A 10 4.290 7.188 -19.303 1.00 0.00 N ATOM 111 CA THR A 10 4.975 6.006 -18.794 1.00 0.00 C ATOM 112 C THR A 10 4.854 5.911 -17.278 1.00 0.00 C ATOM 113 O THR A 10 4.857 6.926 -16.581 1.00 0.00 O ATOM 114 CB THR A 10 6.466 6.011 -19.180 1.00 0.00 C ATOM 115 OG1 THR A 10 7.086 4.791 -18.756 1.00 0.00 O ATOM 116 CG2 THR A 10 7.184 7.196 -18.551 1.00 0.00 C ATOM 0 H THR A 10 4.818 7.715 -19.999 1.00 0.00 H new ATOM 0 HA THR A 10 4.493 5.141 -19.249 1.00 0.00 H new ATOM 0 HB THR A 10 6.538 6.097 -20.264 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.033 4.801 -19.007 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.235 7.178 -18.838 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.729 8.123 -18.898 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.103 7.136 -17.466 1.00 0.00 H new ATOM 124 N TRP A 11 4.750 4.687 -16.773 1.00 0.00 N ATOM 125 CA TRP A 11 4.629 4.460 -15.337 1.00 0.00 C ATOM 126 C TRP A 11 5.992 4.528 -14.659 1.00 0.00 C ATOM 127 O TRP A 11 6.675 3.514 -14.513 1.00 0.00 O ATOM 128 CB TRP A 11 3.979 3.102 -15.068 1.00 0.00 C ATOM 129 CG TRP A 11 3.189 3.064 -13.794 1.00 0.00 C ATOM 130 CD1 TRP A 11 2.424 4.068 -13.274 1.00 0.00 C ATOM 131 CD2 TRP A 11 3.091 1.966 -12.880 1.00 0.00 C ATOM 132 NE1 TRP A 11 1.855 3.660 -12.091 1.00 0.00 N ATOM 133 CE2 TRP A 11 2.248 2.375 -11.828 1.00 0.00 C ATOM 134 CE3 TRP A 11 3.631 0.678 -12.848 1.00 0.00 C ATOM 135 CZ2 TRP A 11 1.935 1.541 -10.758 1.00 0.00 C ATOM 136 CZ3 TRP A 11 3.320 -0.149 -11.785 1.00 0.00 C ATOM 137 CH2 TRP A 11 2.478 0.284 -10.753 1.00 0.00 C ATOM 0 H TRP A 11 4.747 3.837 -17.336 1.00 0.00 H new ATOM 0 HA TRP A 11 3.998 5.246 -14.922 1.00 0.00 H new ATOM 0 HB2 TRP A 11 3.323 2.849 -15.901 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.755 2.337 -15.029 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.286 5.039 -13.725 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.240 4.223 -11.504 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.280 0.334 -13.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.287 1.874 -9.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.733 -1.146 -11.750 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.253 -0.387 -9.937 1.00 0.00 H new ATOM 148 N SER A 12 6.383 5.730 -14.245 1.00 0.00 N ATOM 149 CA SER A 12 7.668 5.930 -13.585 1.00 0.00 C ATOM 150 C SER A 12 7.499 6.738 -12.301 1.00 0.00 C ATOM 151 O SER A 12 6.382 7.080 -11.913 1.00 0.00 O ATOM 152 CB SER A 12 8.643 6.642 -14.524 1.00 0.00 C ATOM 153 OG SER A 12 8.121 7.889 -14.951 1.00 0.00 O ATOM 0 H SER A 12 5.829 6.579 -14.355 1.00 0.00 H new ATOM 0 HA SER A 12 8.072 4.951 -13.328 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.595 6.797 -14.016 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.844 6.012 -15.391 1.00 0.00 H new ATOM 0 HG SER A 12 8.764 8.325 -15.549 1.00 0.00 H new ATOM 159 N MET A 13 8.616 7.039 -11.648 1.00 0.00 N ATOM 160 CA MET A 13 8.593 7.807 -10.409 1.00 0.00 C ATOM 161 C MET A 13 9.829 8.694 -10.296 1.00 0.00 C ATOM 162 O MET A 13 10.850 8.438 -10.934 1.00 0.00 O ATOM 163 CB MET A 13 8.512 6.869 -9.203 1.00 0.00 C ATOM 164 CG MET A 13 7.768 7.465 -8.019 1.00 0.00 C ATOM 165 SD MET A 13 8.858 8.354 -6.890 1.00 0.00 S ATOM 166 CE MET A 13 8.693 7.362 -5.408 1.00 0.00 C ATOM 0 H MET A 13 9.548 6.763 -11.956 1.00 0.00 H new ATOM 0 HA MET A 13 7.709 8.445 -10.423 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.018 5.945 -9.504 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.522 6.604 -8.891 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.997 8.144 -8.384 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.260 6.668 -7.476 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.352 7.991 -4.586 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.969 6.566 -5.582 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.658 6.925 -5.154 1.00 0.00 H new ATOM 176 N LYS A 14 9.730 9.738 -9.480 1.00 0.00 N ATOM 177 CA LYS A 14 10.839 10.663 -9.281 1.00 0.00 C ATOM 178 C LYS A 14 11.554 10.381 -7.964 1.00 0.00 C ATOM 179 O LYS A 14 12.750 10.088 -7.944 1.00 0.00 O ATOM 180 CB LYS A 14 10.336 12.108 -9.301 1.00 0.00 C ATOM 181 CG LYS A 14 11.439 13.139 -9.140 1.00 0.00 C ATOM 182 CD LYS A 14 10.880 14.497 -8.750 1.00 0.00 C ATOM 183 CE LYS A 14 11.890 15.306 -7.949 1.00 0.00 C ATOM 184 NZ LYS A 14 12.097 14.741 -6.587 1.00 0.00 N ATOM 0 H LYS A 14 8.892 9.965 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 14 11.548 10.520 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.815 12.289 -10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.607 12.241 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.144 12.803 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.995 13.228 -10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.601 15.048 -9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.972 14.363 -8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.841 15.329 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.546 16.337 -7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.505 15.470 -5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.185 14.427 -6.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.747 13.931 -6.642 1.00 0.00 H new ATOM 198 N THR A 15 10.814 10.470 -6.863 1.00 0.00 N ATOM 199 CA THR A 15 11.377 10.224 -5.542 1.00 0.00 C ATOM 200 C THR A 15 12.051 8.858 -5.477 1.00 0.00 C ATOM 201 O THR A 15 11.499 7.858 -5.938 1.00 0.00 O ATOM 202 CB THR A 15 10.296 10.303 -4.447 1.00 0.00 C ATOM 203 OG1 THR A 15 9.867 11.659 -4.279 1.00 0.00 O ATOM 204 CG2 THR A 15 10.825 9.766 -3.125 1.00 0.00 C ATOM 0 H THR A 15 9.823 10.711 -6.861 1.00 0.00 H new ATOM 0 HA THR A 15 12.120 11.002 -5.366 1.00 0.00 H new ATOM 0 HB THR A 15 9.450 9.690 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.438 11.760 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.044 9.832 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.124 8.725 -3.249 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.686 10.356 -2.811 1.00 0.00 H new ATOM 212 N THR A 16 13.248 8.820 -4.900 1.00 0.00 N ATOM 213 CA THR A 16 13.998 7.577 -4.775 1.00 0.00 C ATOM 214 C THR A 16 14.531 7.396 -3.358 1.00 0.00 C ATOM 215 O THR A 16 14.547 8.338 -2.566 1.00 0.00 O ATOM 216 CB THR A 16 15.176 7.529 -5.765 1.00 0.00 C ATOM 217 OG1 THR A 16 15.973 8.711 -5.635 1.00 0.00 O ATOM 218 CG2 THR A 16 14.675 7.403 -7.196 1.00 0.00 C ATOM 0 H THR A 16 13.719 9.637 -4.512 1.00 0.00 H new ATOM 0 HA THR A 16 13.307 6.767 -5.006 1.00 0.00 H new ATOM 0 HB THR A 16 15.783 6.655 -5.531 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.721 8.672 -6.267 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.525 7.371 -7.878 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.093 6.487 -7.298 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.048 8.261 -7.439 1.00 0.00 H new ATOM 226 N SER A 17 14.969 6.181 -3.046 1.00 0.00 N ATOM 227 CA SER A 17 15.502 5.877 -1.723 1.00 0.00 C ATOM 228 C SER A 17 16.338 4.601 -1.754 1.00 0.00 C ATOM 229 O SER A 17 15.878 3.555 -2.213 1.00 0.00 O ATOM 230 CB SER A 17 14.362 5.729 -0.713 1.00 0.00 C ATOM 231 OG SER A 17 13.501 4.661 -1.069 1.00 0.00 O ATOM 0 H SER A 17 14.965 5.391 -3.691 1.00 0.00 H new ATOM 0 HA SER A 17 16.144 6.704 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.773 5.553 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.793 6.658 -0.663 1.00 0.00 H new ATOM 0 HG SER A 17 13.912 4.135 -1.787 1.00 0.00 H new ATOM 237 N SER A 18 17.569 4.696 -1.262 1.00 0.00 N ATOM 238 CA SER A 18 18.472 3.551 -1.236 1.00 0.00 C ATOM 239 C SER A 18 18.235 2.700 0.008 1.00 0.00 C ATOM 240 O SER A 18 19.146 2.037 0.502 1.00 0.00 O ATOM 241 CB SER A 18 19.927 4.022 -1.276 1.00 0.00 C ATOM 242 OG SER A 18 20.202 4.920 -0.215 1.00 0.00 O ATOM 0 H SER A 18 17.964 5.554 -0.876 1.00 0.00 H new ATOM 0 HA SER A 18 18.271 2.940 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.593 3.162 -1.210 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.129 4.509 -2.230 1.00 0.00 H new ATOM 0 HG SER A 18 21.139 5.205 -0.262 1.00 0.00 H new ATOM 248 N MET A 19 17.004 2.726 0.509 1.00 0.00 N ATOM 249 CA MET A 19 16.647 1.956 1.695 1.00 0.00 C ATOM 250 C MET A 19 15.922 0.670 1.310 1.00 0.00 C ATOM 251 O MET A 19 14.960 0.695 0.543 1.00 0.00 O ATOM 252 CB MET A 19 15.766 2.792 2.626 1.00 0.00 C ATOM 253 CG MET A 19 16.543 3.810 3.446 1.00 0.00 C ATOM 254 SD MET A 19 17.101 3.147 5.027 1.00 0.00 S ATOM 255 CE MET A 19 15.573 3.168 5.961 1.00 0.00 C ATOM 0 H MET A 19 16.238 3.271 0.113 1.00 0.00 H new ATOM 0 HA MET A 19 17.567 1.692 2.217 1.00 0.00 H new ATOM 0 HB2 MET A 19 15.015 3.313 2.032 1.00 0.00 H new ATOM 0 HB3 MET A 19 15.231 2.125 3.302 1.00 0.00 H new ATOM 0 HG2 MET A 19 17.406 4.149 2.874 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.915 4.683 3.624 1.00 0.00 H new ATOM 0 HE1 MET A 19 15.792 3.027 7.020 1.00 0.00 H new ATOM 0 HE2 MET A 19 15.072 4.126 5.818 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.924 2.364 5.614 1.00 0.00 H new ATOM 265 N ASP A 20 16.390 -0.451 1.848 1.00 0.00 N ATOM 266 CA ASP A 20 15.786 -1.747 1.561 1.00 0.00 C ATOM 267 C ASP A 20 14.265 -1.668 1.645 1.00 0.00 C ATOM 268 O ASP A 20 13.699 -0.787 2.294 1.00 0.00 O ATOM 269 CB ASP A 20 16.309 -2.804 2.535 1.00 0.00 C ATOM 270 CG ASP A 20 17.593 -3.450 2.053 1.00 0.00 C ATOM 271 OD1 ASP A 20 17.522 -4.310 1.149 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.668 -3.096 2.579 1.00 0.00 O ATOM 0 H ASP A 20 17.186 -0.488 2.485 1.00 0.00 H new ATOM 0 HA ASP A 20 16.061 -2.032 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.480 -2.344 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.549 -3.573 2.675 1.00 0.00 H new ATOM 277 N PRO A 21 13.585 -2.609 0.974 1.00 0.00 N ATOM 278 CA PRO A 21 12.120 -2.667 0.957 1.00 0.00 C ATOM 279 C PRO A 21 11.540 -3.073 2.308 1.00 0.00 C ATOM 280 O PRO A 21 10.519 -2.539 2.741 1.00 0.00 O ATOM 281 CB PRO A 21 11.819 -3.735 -0.097 1.00 0.00 C ATOM 282 CG PRO A 21 13.033 -4.599 -0.118 1.00 0.00 C ATOM 283 CD PRO A 21 14.193 -3.689 0.180 1.00 0.00 C ATOM 0 HA PRO A 21 11.676 -1.696 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.929 -4.308 0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.635 -3.287 -1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.959 -5.394 0.624 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.153 -5.080 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.976 -4.205 0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.650 -3.308 -0.733 1.00 0.00 H new ATOM 291 N SER A 22 12.199 -4.019 2.969 1.00 0.00 N ATOM 292 CA SER A 22 11.746 -4.499 4.269 1.00 0.00 C ATOM 293 C SER A 22 11.529 -3.336 5.232 1.00 0.00 C ATOM 294 O SER A 22 10.494 -3.248 5.894 1.00 0.00 O ATOM 295 CB SER A 22 12.764 -5.479 4.857 1.00 0.00 C ATOM 296 OG SER A 22 12.762 -6.704 4.145 1.00 0.00 O ATOM 0 H SER A 22 13.048 -4.468 2.626 1.00 0.00 H new ATOM 0 HA SER A 22 10.796 -5.014 4.128 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.760 -5.037 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.532 -5.664 5.906 1.00 0.00 H new ATOM 0 HG SER A 22 13.422 -7.312 4.539 1.00 0.00 H new ATOM 302 N ASP A 23 12.511 -2.445 5.304 1.00 0.00 N ATOM 303 CA ASP A 23 12.429 -1.285 6.184 1.00 0.00 C ATOM 304 C ASP A 23 11.500 -0.225 5.601 1.00 0.00 C ATOM 305 O ASP A 23 10.750 0.426 6.328 1.00 0.00 O ATOM 306 CB ASP A 23 13.820 -0.692 6.414 1.00 0.00 C ATOM 307 CG ASP A 23 14.541 -1.341 7.579 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.810 -2.559 7.506 1.00 0.00 O ATOM 309 OD2 ASP A 23 14.836 -0.632 8.563 1.00 0.00 O ATOM 0 H ASP A 23 13.374 -2.504 4.763 1.00 0.00 H new ATOM 0 HA ASP A 23 12.021 -1.614 7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.417 -0.811 5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.729 0.379 6.597 1.00 0.00 H new ATOM 314 N MET A 24 11.557 -0.055 4.284 1.00 0.00 N ATOM 315 CA MET A 24 10.721 0.926 3.603 1.00 0.00 C ATOM 316 C MET A 24 9.264 0.791 4.033 1.00 0.00 C ATOM 317 O MET A 24 8.612 1.779 4.368 1.00 0.00 O ATOM 318 CB MET A 24 10.835 0.760 2.086 1.00 0.00 C ATOM 319 CG MET A 24 11.991 1.536 1.475 1.00 0.00 C ATOM 320 SD MET A 24 11.562 3.249 1.110 1.00 0.00 S ATOM 321 CE MET A 24 10.892 3.085 -0.543 1.00 0.00 C ATOM 0 H MET A 24 12.174 -0.584 3.667 1.00 0.00 H new ATOM 0 HA MET A 24 11.072 1.920 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.955 -0.298 1.852 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.904 1.086 1.622 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.839 1.516 2.160 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.310 1.042 0.557 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.993 4.032 -1.072 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.436 2.309 -1.081 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.838 2.814 -0.483 1.00 0.00 H new ATOM 331 N MET A 25 8.760 -0.439 4.020 1.00 0.00 N ATOM 332 CA MET A 25 7.379 -0.702 4.410 1.00 0.00 C ATOM 333 C MET A 25 7.082 -0.117 5.787 1.00 0.00 C ATOM 334 O MET A 25 6.007 0.439 6.016 1.00 0.00 O ATOM 335 CB MET A 25 7.106 -2.207 4.413 1.00 0.00 C ATOM 336 CG MET A 25 6.944 -2.799 3.022 1.00 0.00 C ATOM 337 SD MET A 25 5.493 -2.162 2.162 1.00 0.00 S ATOM 338 CE MET A 25 4.194 -3.132 2.924 1.00 0.00 C ATOM 0 H MET A 25 9.286 -1.268 3.744 1.00 0.00 H new ATOM 0 HA MET A 25 6.724 -0.222 3.682 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.925 -2.715 4.922 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.202 -2.403 4.990 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.835 -2.582 2.433 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.869 -3.884 3.099 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.345 -3.201 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.567 -4.133 3.142 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.878 -2.653 3.851 1.00 0.00 H new ATOM 348 N ARG A 26 8.040 -0.244 6.699 1.00 0.00 N ATOM 349 CA ARG A 26 7.879 0.271 8.053 1.00 0.00 C ATOM 350 C ARG A 26 7.779 1.793 8.047 1.00 0.00 C ATOM 351 O ARG A 26 6.875 2.367 8.654 1.00 0.00 O ATOM 352 CB ARG A 26 9.051 -0.170 8.932 1.00 0.00 C ATOM 353 CG ARG A 26 8.874 -1.554 9.534 1.00 0.00 C ATOM 354 CD ARG A 26 9.047 -2.644 8.487 1.00 0.00 C ATOM 355 NE ARG A 26 9.572 -3.878 9.064 1.00 0.00 N ATOM 356 CZ ARG A 26 8.818 -4.781 9.681 1.00 0.00 C ATOM 357 NH1 ARG A 26 7.512 -4.587 9.800 1.00 0.00 N ATOM 358 NH2 ARG A 26 9.369 -5.880 10.179 1.00 0.00 N ATOM 0 H ARG A 26 8.936 -0.699 6.525 1.00 0.00 H new ATOM 0 HA ARG A 26 6.954 -0.135 8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.965 -0.156 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.182 0.553 9.737 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.599 -1.699 10.335 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.884 -1.633 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.087 -2.846 8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.722 -2.293 7.706 1.00 0.00 H new ATOM 0 HE ARG A 26 10.573 -4.057 8.989 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.085 -3.743 9.418 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.934 -5.281 10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.373 -6.033 10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.788 -6.572 10.652 1.00 0.00 H new ATOM 372 N GLU A 27 8.713 2.440 7.357 1.00 0.00 N ATOM 373 CA GLU A 27 8.730 3.896 7.274 1.00 0.00 C ATOM 374 C GLU A 27 7.426 4.422 6.682 1.00 0.00 C ATOM 375 O GLU A 27 6.730 5.226 7.304 1.00 0.00 O ATOM 376 CB GLU A 27 9.914 4.367 6.427 1.00 0.00 C ATOM 377 CG GLU A 27 9.934 5.868 6.191 1.00 0.00 C ATOM 378 CD GLU A 27 10.255 6.652 7.448 1.00 0.00 C ATOM 379 OE1 GLU A 27 9.514 6.508 8.443 1.00 0.00 O ATOM 380 OE2 GLU A 27 11.247 7.411 7.437 1.00 0.00 O ATOM 0 H GLU A 27 9.467 1.979 6.848 1.00 0.00 H new ATOM 0 HA GLU A 27 8.836 4.291 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.841 4.072 6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.887 3.857 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.672 6.101 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.964 6.185 5.808 1.00 0.00 H new ATOM 387 N ILE A 28 7.102 3.964 5.478 1.00 0.00 N ATOM 388 CA ILE A 28 5.882 4.387 4.802 1.00 0.00 C ATOM 389 C ILE A 28 4.731 4.542 5.791 1.00 0.00 C ATOM 390 O ILE A 28 4.255 5.650 6.037 1.00 0.00 O ATOM 391 CB ILE A 28 5.470 3.387 3.705 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.396 3.516 2.494 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.022 3.615 3.298 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.393 2.296 1.599 1.00 0.00 C ATOM 0 H ILE A 28 7.668 3.299 4.950 1.00 0.00 H new ATOM 0 HA ILE A 28 6.095 5.352 4.341 1.00 0.00 H new ATOM 0 HB ILE A 28 5.561 2.376 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.098 4.386 1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.413 3.699 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.745 2.901 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.375 3.478 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.907 4.629 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.071 2.458 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.720 1.426 2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.385 2.124 1.222 1.00 0.00 H new ATOM 406 N ARG A 29 4.290 3.423 6.357 1.00 0.00 N ATOM 407 CA ARG A 29 3.196 3.435 7.321 1.00 0.00 C ATOM 408 C ARG A 29 3.436 4.482 8.404 1.00 0.00 C ATOM 409 O ARG A 29 2.569 5.311 8.684 1.00 0.00 O ATOM 410 CB ARG A 29 3.036 2.054 7.959 1.00 0.00 C ATOM 411 CG ARG A 29 2.395 1.028 7.038 1.00 0.00 C ATOM 412 CD ARG A 29 2.453 -0.370 7.635 1.00 0.00 C ATOM 413 NE ARG A 29 3.747 -1.008 7.411 1.00 0.00 N ATOM 414 CZ ARG A 29 4.031 -2.248 7.793 1.00 0.00 C ATOM 415 NH1 ARG A 29 3.116 -2.980 8.413 1.00 0.00 N ATOM 416 NH2 ARG A 29 5.232 -2.759 7.553 1.00 0.00 N ATOM 0 H ARG A 29 4.673 2.497 6.165 1.00 0.00 H new ATOM 0 HA ARG A 29 2.280 3.691 6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.016 1.690 8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.432 2.148 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.357 1.303 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.904 1.035 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.257 -0.315 8.706 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.666 -0.984 7.197 1.00 0.00 H new ATOM 0 HE ARG A 29 4.473 -0.472 6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.191 -2.591 8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.337 -3.932 8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.938 -2.199 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.449 -3.711 7.847 1.00 0.00 H new ATOM 430 N LYS A 30 4.617 4.439 9.010 1.00 0.00 N ATOM 431 CA LYS A 30 4.973 5.384 10.062 1.00 0.00 C ATOM 432 C LYS A 30 4.539 6.799 9.692 1.00 0.00 C ATOM 433 O LYS A 30 4.145 7.584 10.555 1.00 0.00 O ATOM 434 CB LYS A 30 6.482 5.353 10.316 1.00 0.00 C ATOM 435 CG LYS A 30 6.917 6.200 11.499 1.00 0.00 C ATOM 436 CD LYS A 30 8.428 6.188 11.667 1.00 0.00 C ATOM 437 CE LYS A 30 8.893 4.961 12.437 1.00 0.00 C ATOM 438 NZ LYS A 30 10.375 4.824 12.418 1.00 0.00 N ATOM 0 H LYS A 30 5.345 3.759 8.791 1.00 0.00 H new ATOM 0 HA LYS A 30 4.451 5.088 10.972 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.792 4.322 10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.000 5.700 9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.573 7.225 11.360 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.446 5.827 12.408 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.904 6.206 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.744 7.090 12.192 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.548 5.027 13.469 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.440 4.068 12.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.652 3.976 12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.703 4.735 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.807 5.664 12.853 1.00 0.00 H new ATOM 452 N VAL A 31 4.611 7.118 8.403 1.00 0.00 N ATOM 453 CA VAL A 31 4.223 8.437 7.919 1.00 0.00 C ATOM 454 C VAL A 31 2.711 8.540 7.756 1.00 0.00 C ATOM 455 O VAL A 31 2.092 9.509 8.197 1.00 0.00 O ATOM 456 CB VAL A 31 4.897 8.761 6.573 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.373 10.076 6.016 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.409 8.805 6.731 1.00 0.00 C ATOM 0 H VAL A 31 4.935 6.480 7.676 1.00 0.00 H new ATOM 0 HA VAL A 31 4.554 9.158 8.666 1.00 0.00 H new ATOM 0 HB VAL A 31 4.651 7.970 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.861 10.288 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.296 10.003 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.586 10.880 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.869 9.035 5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.677 9.574 7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.767 7.837 7.082 1.00 0.00 H new ATOM 468 N LEU A 32 2.121 7.534 7.119 1.00 0.00 N ATOM 469 CA LEU A 32 0.679 7.510 6.897 1.00 0.00 C ATOM 470 C LEU A 32 -0.077 7.708 8.207 1.00 0.00 C ATOM 471 O LEU A 32 -0.777 8.703 8.388 1.00 0.00 O ATOM 472 CB LEU A 32 0.265 6.187 6.251 1.00 0.00 C ATOM 473 CG LEU A 32 0.911 5.867 4.903 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.778 4.386 4.585 1.00 0.00 C ATOM 475 CD2 LEU A 32 0.287 6.709 3.799 1.00 0.00 C ATOM 0 H LEU A 32 2.618 6.725 6.747 1.00 0.00 H new ATOM 0 HA LEU A 32 0.426 8.330 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.498 5.379 6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.817 6.192 6.120 1.00 0.00 H new ATOM 0 HG LEU A 32 1.972 6.111 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.244 4.177 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.272 3.801 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.277 4.116 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.759 6.468 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.780 6.497 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.435 7.766 4.020 1.00 0.00 H new ATOM 487 N GLY A 33 0.072 6.753 9.121 1.00 0.00 N ATOM 488 CA GLY A 33 -0.601 6.842 10.403 1.00 0.00 C ATOM 489 C GLY A 33 -0.660 8.262 10.929 1.00 0.00 C ATOM 490 O GLY A 33 -1.680 8.690 11.468 1.00 0.00 O ATOM 0 H GLY A 33 0.647 5.920 8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.614 6.451 10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.084 6.211 11.126 1.00 0.00 H new ATOM 494 N ALA A 34 0.438 8.995 10.775 1.00 0.00 N ATOM 495 CA ALA A 34 0.507 10.375 11.238 1.00 0.00 C ATOM 496 C ALA A 34 -0.429 11.272 10.434 1.00 0.00 C ATOM 497 O ALA A 34 -1.072 12.165 10.984 1.00 0.00 O ATOM 498 CB ALA A 34 1.936 10.890 11.152 1.00 0.00 C ATOM 0 H ALA A 34 1.292 8.655 10.333 1.00 0.00 H new ATOM 0 HA ALA A 34 0.185 10.399 12.279 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.972 11.922 11.501 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.583 10.273 11.775 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.278 10.844 10.118 1.00 0.00 H new ATOM 504 N ASN A 35 -0.499 11.027 9.130 1.00 0.00 N ATOM 505 CA ASN A 35 -1.356 11.814 8.250 1.00 0.00 C ATOM 506 C ASN A 35 -2.788 11.287 8.271 1.00 0.00 C ATOM 507 O ASN A 35 -3.464 11.256 7.244 1.00 0.00 O ATOM 508 CB ASN A 35 -0.813 11.790 6.820 1.00 0.00 C ATOM 509 CG ASN A 35 0.473 12.580 6.676 1.00 0.00 C ATOM 510 OD1 ASN A 35 0.451 13.805 6.550 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.602 11.882 6.695 1.00 0.00 N ATOM 0 H ASN A 35 0.027 10.291 8.659 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.361 12.842 8.613 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.637 10.757 6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.564 12.197 6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.499 12.360 6.603 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.573 10.868 6.802 1.00 0.00 H new ATOM 518 N ASN A 36 -3.243 10.873 9.450 1.00 0.00 N ATOM 519 CA ASN A 36 -4.594 10.347 9.606 1.00 0.00 C ATOM 520 C ASN A 36 -4.996 9.512 8.394 1.00 0.00 C ATOM 521 O ASN A 36 -6.177 9.417 8.057 1.00 0.00 O ATOM 522 CB ASN A 36 -5.590 11.492 9.803 1.00 0.00 C ATOM 523 CG ASN A 36 -5.711 11.910 11.256 1.00 0.00 C ATOM 524 OD1 ASN A 36 -6.157 11.134 12.101 1.00 0.00 O ATOM 525 ND2 ASN A 36 -5.312 13.141 11.552 1.00 0.00 N ATOM 0 H ASN A 36 -2.696 10.892 10.311 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.608 9.706 10.488 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.277 12.349 9.206 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.569 11.186 9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.369 13.478 12.513 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.949 13.750 10.818 1.00 0.00 H new ATOM 532 N CYS A 37 -4.007 8.909 7.744 1.00 0.00 N ATOM 533 CA CYS A 37 -4.257 8.082 6.569 1.00 0.00 C ATOM 534 C CYS A 37 -4.395 6.613 6.957 1.00 0.00 C ATOM 535 O CYS A 37 -3.730 6.139 7.878 1.00 0.00 O ATOM 536 CB CYS A 37 -3.126 8.248 5.553 1.00 0.00 C ATOM 537 SG CYS A 37 -3.125 9.845 4.704 1.00 0.00 S ATOM 0 H CYS A 37 -3.025 8.977 8.011 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.193 8.410 6.117 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.172 8.119 6.064 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.200 7.454 4.810 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.311 10.797 5.570 1.00 0.00 H new ATOM 543 N ASP A 38 -5.265 5.900 6.251 1.00 0.00 N ATOM 544 CA ASP A 38 -5.493 4.485 6.523 1.00 0.00 C ATOM 545 C ASP A 38 -4.684 3.612 5.568 1.00 0.00 C ATOM 546 O ASP A 38 -4.681 3.836 4.357 1.00 0.00 O ATOM 547 CB ASP A 38 -6.981 4.153 6.401 1.00 0.00 C ATOM 548 CG ASP A 38 -7.797 4.725 7.544 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.559 5.893 7.916 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.672 4.004 8.067 1.00 0.00 O ATOM 0 H ASP A 38 -5.824 6.278 5.486 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.166 4.278 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.361 4.542 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.108 3.071 6.374 1.00 0.00 H new ATOM 555 N TYR A 39 -3.999 2.617 6.121 1.00 0.00 N ATOM 556 CA TYR A 39 -3.184 1.713 5.319 1.00 0.00 C ATOM 557 C TYR A 39 -3.646 0.268 5.489 1.00 0.00 C ATOM 558 O TYR A 39 -4.016 -0.151 6.584 1.00 0.00 O ATOM 559 CB TYR A 39 -1.711 1.838 5.710 1.00 0.00 C ATOM 560 CG TYR A 39 -1.464 1.692 7.195 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.222 0.446 7.760 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.472 2.800 8.033 1.00 0.00 C ATOM 563 CE1 TYR A 39 -0.997 0.308 9.116 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.246 2.672 9.390 1.00 0.00 C ATOM 565 CZ TYR A 39 -1.010 1.423 9.926 1.00 0.00 C ATOM 566 OH TYR A 39 -0.784 1.290 11.277 1.00 0.00 O ATOM 0 H TYR A 39 -3.992 2.416 7.121 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.300 1.992 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.137 1.079 5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.338 2.808 5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.210 -0.430 7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.658 3.779 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.812 -0.668 9.539 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.254 3.544 10.027 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.826 2.171 11.704 1.00 0.00 H new ATOM 576 N GLU A 40 -3.619 -0.487 4.395 1.00 0.00 N ATOM 577 CA GLU A 40 -4.035 -1.884 4.422 1.00 0.00 C ATOM 578 C GLU A 40 -3.116 -2.742 3.557 1.00 0.00 C ATOM 579 O GLU A 40 -2.762 -2.360 2.442 1.00 0.00 O ATOM 580 CB GLU A 40 -5.481 -2.018 3.938 1.00 0.00 C ATOM 581 CG GLU A 40 -6.497 -1.386 4.875 1.00 0.00 C ATOM 582 CD GLU A 40 -6.679 -2.176 6.157 1.00 0.00 C ATOM 583 OE1 GLU A 40 -5.671 -2.411 6.856 1.00 0.00 O ATOM 584 OE2 GLU A 40 -7.828 -2.558 6.461 1.00 0.00 O ATOM 0 H GLU A 40 -3.314 -0.155 3.480 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.970 -2.236 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.570 -1.557 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.719 -3.075 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.179 -0.372 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.456 -1.305 4.363 1.00 0.00 H new ATOM 591 N GLN A 41 -2.734 -3.902 4.080 1.00 0.00 N ATOM 592 CA GLN A 41 -1.856 -4.814 3.357 1.00 0.00 C ATOM 593 C GLN A 41 -2.570 -5.416 2.151 1.00 0.00 C ATOM 594 O GLN A 41 -3.324 -6.379 2.282 1.00 0.00 O ATOM 595 CB GLN A 41 -1.367 -5.928 4.284 1.00 0.00 C ATOM 596 CG GLN A 41 -0.162 -6.683 3.745 1.00 0.00 C ATOM 597 CD GLN A 41 0.632 -7.371 4.838 1.00 0.00 C ATOM 598 OE1 GLN A 41 0.139 -7.568 5.949 1.00 0.00 O ATOM 599 NE2 GLN A 41 1.869 -7.740 4.528 1.00 0.00 N ATOM 0 H GLN A 41 -3.019 -4.233 5.002 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.997 -4.245 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.112 -5.498 5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.181 -6.633 4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.497 -7.426 3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.488 -5.989 3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.237 -7.557 3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.451 -8.207 5.223 1.00 0.00 H new ATOM 608 N ARG A 42 -2.326 -4.841 0.977 1.00 0.00 N ATOM 609 CA ARG A 42 -2.947 -5.320 -0.251 1.00 0.00 C ATOM 610 C ARG A 42 -2.151 -6.478 -0.847 1.00 0.00 C ATOM 611 O ARG A 42 -2.706 -7.535 -1.147 1.00 0.00 O ATOM 612 CB ARG A 42 -3.055 -4.184 -1.270 1.00 0.00 C ATOM 613 CG ARG A 42 -4.327 -3.362 -1.133 1.00 0.00 C ATOM 614 CD ARG A 42 -5.539 -4.120 -1.651 1.00 0.00 C ATOM 615 NE ARG A 42 -6.771 -3.353 -1.497 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.933 -3.712 -2.032 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.019 -4.823 -2.752 1.00 0.00 N ATOM 618 NH2 ARG A 42 -9.011 -2.961 -1.848 1.00 0.00 N ATOM 0 H ARG A 42 -1.703 -4.043 0.851 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.948 -5.677 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.193 -3.526 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.010 -4.603 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.481 -3.100 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.219 -2.427 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.392 -4.362 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.631 -5.065 -1.116 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.738 -2.494 -0.948 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.192 -5.403 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.912 -5.097 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.949 -2.106 -1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.902 -3.238 -2.260 1.00 0.00 H new ATOM 632 N GLU A 43 -0.849 -6.269 -1.016 1.00 0.00 N ATOM 633 CA GLU A 43 0.022 -7.295 -1.578 1.00 0.00 C ATOM 634 C GLU A 43 1.228 -7.538 -0.676 1.00 0.00 C ATOM 635 O GLU A 43 1.325 -6.974 0.414 1.00 0.00 O ATOM 636 CB GLU A 43 0.490 -6.888 -2.977 1.00 0.00 C ATOM 637 CG GLU A 43 -0.646 -6.693 -3.966 1.00 0.00 C ATOM 638 CD GLU A 43 -0.998 -7.966 -4.710 1.00 0.00 C ATOM 639 OE1 GLU A 43 -0.067 -8.652 -5.183 1.00 0.00 O ATOM 640 OE2 GLU A 43 -2.202 -8.277 -4.819 1.00 0.00 O ATOM 0 H GLU A 43 -0.375 -5.400 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.549 -8.221 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.061 -5.962 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.167 -7.651 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.527 -6.332 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.369 -5.922 -4.685 1.00 0.00 H new ATOM 647 N ARG A 44 2.145 -8.381 -1.138 1.00 0.00 N ATOM 648 CA ARG A 44 3.344 -8.701 -0.373 1.00 0.00 C ATOM 649 C ARG A 44 4.025 -7.430 0.126 1.00 0.00 C ATOM 650 O ARG A 44 4.419 -7.340 1.290 1.00 0.00 O ATOM 651 CB ARG A 44 4.320 -9.511 -1.229 1.00 0.00 C ATOM 652 CG ARG A 44 5.513 -10.044 -0.453 1.00 0.00 C ATOM 653 CD ARG A 44 6.391 -10.933 -1.320 1.00 0.00 C ATOM 654 NE ARG A 44 7.079 -11.955 -0.537 1.00 0.00 N ATOM 655 CZ ARG A 44 6.503 -13.082 -0.131 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.237 -13.329 -0.435 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.195 -13.964 0.578 1.00 0.00 N ATOM 0 H ARG A 44 2.081 -8.855 -2.039 1.00 0.00 H new ATOM 0 HA ARG A 44 3.046 -9.297 0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.787 -10.348 -1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.679 -8.885 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.102 -9.210 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.163 -10.609 0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.779 -11.413 -2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.126 -10.319 -1.840 1.00 0.00 H new ATOM 0 HE ARG A 44 8.055 -11.796 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.703 -12.654 -0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.797 -14.194 -0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.170 -13.778 0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.752 -14.829 0.889 1.00 0.00 H new ATOM 671 N PHE A 45 4.160 -6.449 -0.760 1.00 0.00 N ATOM 672 CA PHE A 45 4.795 -5.184 -0.410 1.00 0.00 C ATOM 673 C PHE A 45 3.980 -4.004 -0.933 1.00 0.00 C ATOM 674 O PHE A 45 4.533 -3.040 -1.464 1.00 0.00 O ATOM 675 CB PHE A 45 6.216 -5.127 -0.974 1.00 0.00 C ATOM 676 CG PHE A 45 7.232 -5.815 -0.109 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.860 -5.133 0.921 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.559 -7.144 -0.324 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.797 -5.764 1.718 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.495 -7.780 0.470 1.00 0.00 C ATOM 681 CZ PHE A 45 9.113 -7.089 1.493 1.00 0.00 C ATOM 0 H PHE A 45 3.838 -6.506 -1.726 1.00 0.00 H new ATOM 0 HA PHE A 45 4.841 -5.119 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.224 -5.584 -1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.506 -4.084 -1.102 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.615 -4.097 1.103 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.077 -7.690 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.281 -5.221 2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.742 -8.816 0.290 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.843 -7.584 2.116 1.00 0.00 H new ATOM 691 N LEU A 46 2.663 -4.088 -0.779 1.00 0.00 N ATOM 692 CA LEU A 46 1.771 -3.028 -1.236 1.00 0.00 C ATOM 693 C LEU A 46 0.832 -2.587 -0.118 1.00 0.00 C ATOM 694 O LEU A 46 0.527 -3.359 0.792 1.00 0.00 O ATOM 695 CB LEU A 46 0.959 -3.503 -2.442 1.00 0.00 C ATOM 696 CG LEU A 46 0.113 -2.439 -3.143 1.00 0.00 C ATOM 697 CD1 LEU A 46 1.003 -1.376 -3.767 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.779 -3.077 -4.198 1.00 0.00 C ATOM 0 H LEU A 46 2.190 -4.878 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 46 2.382 -2.174 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.646 -3.931 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.299 -4.307 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.524 -1.960 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.384 -0.627 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.599 -0.898 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.665 -1.839 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.374 -2.305 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.161 -3.583 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.442 -3.801 -3.724 1.00 0.00 H new ATOM 710 N LEU A 47 0.376 -1.342 -0.193 1.00 0.00 N ATOM 711 CA LEU A 47 -0.531 -0.798 0.812 1.00 0.00 C ATOM 712 C LEU A 47 -1.580 0.104 0.168 1.00 0.00 C ATOM 713 O LEU A 47 -1.333 0.717 -0.870 1.00 0.00 O ATOM 714 CB LEU A 47 0.254 -0.014 1.866 1.00 0.00 C ATOM 715 CG LEU A 47 1.115 -0.846 2.817 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.148 0.031 3.507 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.243 -1.555 3.843 1.00 0.00 C ATOM 0 H LEU A 47 0.619 -0.690 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.042 -1.632 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.899 0.699 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.453 0.565 2.460 1.00 0.00 H new ATOM 0 HG LEU A 47 1.642 -1.601 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.751 -0.578 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.792 0.492 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.642 0.809 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.872 -2.142 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.311 -0.816 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.458 -2.215 3.331 1.00 0.00 H new ATOM 729 N PHE A 48 -2.750 0.182 0.793 1.00 0.00 N ATOM 730 CA PHE A 48 -3.836 1.010 0.282 1.00 0.00 C ATOM 731 C PHE A 48 -4.002 2.271 1.125 1.00 0.00 C ATOM 732 O PHE A 48 -4.598 2.236 2.202 1.00 0.00 O ATOM 733 CB PHE A 48 -5.145 0.218 0.266 1.00 0.00 C ATOM 734 CG PHE A 48 -6.247 0.897 -0.495 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.152 1.076 -1.866 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.378 1.357 0.159 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.165 1.701 -2.569 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.394 1.983 -0.538 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.288 2.154 -1.904 1.00 0.00 C ATOM 0 H PHE A 48 -2.970 -0.318 1.654 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.585 1.306 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.962 -0.763 -0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.472 0.051 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.277 0.723 -2.391 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.467 1.225 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.079 1.835 -3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.270 2.338 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.081 2.641 -2.452 1.00 0.00 H new ATOM 749 N CYS A 49 -3.469 3.382 0.628 1.00 0.00 N ATOM 750 CA CYS A 49 -3.557 4.654 1.335 1.00 0.00 C ATOM 751 C CYS A 49 -4.916 5.308 1.113 1.00 0.00 C ATOM 752 O CYS A 49 -5.395 5.402 -0.018 1.00 0.00 O ATOM 753 CB CYS A 49 -2.443 5.595 0.873 1.00 0.00 C ATOM 754 SG CYS A 49 -0.784 4.885 0.982 1.00 0.00 S ATOM 0 H CYS A 49 -2.972 3.427 -0.261 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.439 4.458 2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.634 5.888 -0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.478 6.504 1.473 1.00 0.00 H new ATOM 0 HG CYS A 49 0.001 5.484 0.136 1.00 0.00 H new ATOM 760 N VAL A 50 -5.536 5.758 2.199 1.00 0.00 N ATOM 761 CA VAL A 50 -6.841 6.403 2.123 1.00 0.00 C ATOM 762 C VAL A 50 -6.867 7.690 2.939 1.00 0.00 C ATOM 763 O VAL A 50 -6.700 7.669 4.159 1.00 0.00 O ATOM 764 CB VAL A 50 -7.959 5.468 2.625 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.216 6.262 2.943 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.248 4.385 1.596 1.00 0.00 C ATOM 0 H VAL A 50 -5.155 5.688 3.143 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.017 6.638 1.073 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.622 4.985 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.994 5.585 3.296 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.996 6.997 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.560 6.774 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.040 3.733 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.565 4.847 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.346 3.798 1.423 1.00 0.00 H new ATOM 776 N HIS A 51 -7.077 8.812 2.258 1.00 0.00 N ATOM 777 CA HIS A 51 -7.126 10.111 2.920 1.00 0.00 C ATOM 778 C HIS A 51 -8.337 10.913 2.453 1.00 0.00 C ATOM 779 O HIS A 51 -8.883 10.664 1.379 1.00 0.00 O ATOM 780 CB HIS A 51 -5.842 10.895 2.644 1.00 0.00 C ATOM 781 CG HIS A 51 -5.623 12.035 3.591 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.294 13.307 3.173 1.00 0.00 N ATOM 783 CD2 HIS A 51 -5.688 12.089 4.942 1.00 0.00 C ATOM 784 CE1 HIS A 51 -5.164 14.094 4.227 1.00 0.00 C ATOM 785 NE2 HIS A 51 -5.399 13.379 5.312 1.00 0.00 N ATOM 0 H HIS A 51 -7.216 8.848 1.248 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.217 9.942 3.993 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.991 10.216 2.702 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.873 11.280 1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.923 11.270 5.605 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.909 15.143 4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.370 13.729 6.270 1.00 0.00 H new ATOM 794 N GLY A 52 -8.751 11.878 3.269 1.00 0.00 N ATOM 795 CA GLY A 52 -9.895 12.702 2.922 1.00 0.00 C ATOM 796 C GLY A 52 -9.495 14.099 2.492 1.00 0.00 C ATOM 797 O GLY A 52 -9.892 14.564 1.423 1.00 0.00 O ATOM 0 H GLY A 52 -8.315 12.104 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.453 12.223 2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.565 12.767 3.779 1.00 0.00 H new ATOM 801 N ASP A 53 -8.708 14.770 3.325 1.00 0.00 N ATOM 802 CA ASP A 53 -8.254 16.123 3.025 1.00 0.00 C ATOM 803 C ASP A 53 -9.366 16.937 2.370 1.00 0.00 C ATOM 804 O ASP A 53 -9.105 17.815 1.548 1.00 0.00 O ATOM 805 CB ASP A 53 -7.028 16.082 2.110 1.00 0.00 C ATOM 806 CG ASP A 53 -6.551 17.467 1.719 1.00 0.00 C ATOM 807 OD1 ASP A 53 -6.159 18.236 2.621 1.00 0.00 O ATOM 808 OD2 ASP A 53 -6.570 17.780 0.510 1.00 0.00 O ATOM 0 H ASP A 53 -8.371 14.399 4.213 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.981 16.604 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.220 15.551 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.269 15.516 1.210 1.00 0.00 H new ATOM 813 N GLY A 54 -10.607 16.637 2.739 1.00 0.00 N ATOM 814 CA GLY A 54 -11.740 17.349 2.176 1.00 0.00 C ATOM 815 C GLY A 54 -13.066 16.708 2.539 1.00 0.00 C ATOM 816 O GLY A 54 -13.283 16.323 3.689 1.00 0.00 O ATOM 0 H GLY A 54 -10.848 15.914 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.729 18.380 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.641 17.383 1.091 1.00 0.00 H new ATOM 820 N HIS A 55 -13.955 16.595 1.558 1.00 0.00 N ATOM 821 CA HIS A 55 -15.267 15.998 1.781 1.00 0.00 C ATOM 822 C HIS A 55 -15.278 14.534 1.349 1.00 0.00 C ATOM 823 O HIS A 55 -14.410 14.093 0.596 1.00 0.00 O ATOM 824 CB HIS A 55 -16.340 16.774 1.018 1.00 0.00 C ATOM 825 CG HIS A 55 -16.705 18.078 1.658 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.945 18.325 2.209 1.00 0.00 N ATOM 827 CD2 HIS A 55 -15.985 19.210 1.835 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.971 19.553 2.696 1.00 0.00 C ATOM 829 NE2 HIS A 55 -16.794 20.111 2.482 1.00 0.00 N ATOM 0 H HIS A 55 -13.791 16.909 0.601 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.484 16.046 2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.988 16.962 0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.234 16.156 0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.964 19.374 1.525 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.812 20.021 3.186 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.529 21.058 2.753 1.00 0.00 H new ATOM 838 N ALA A 56 -16.265 13.787 1.832 1.00 0.00 N ATOM 839 CA ALA A 56 -16.389 12.375 1.495 1.00 0.00 C ATOM 840 C ALA A 56 -16.319 12.162 -0.013 1.00 0.00 C ATOM 841 O ALA A 56 -15.543 11.338 -0.497 1.00 0.00 O ATOM 842 CB ALA A 56 -17.690 11.812 2.050 1.00 0.00 C ATOM 0 H ALA A 56 -16.990 14.137 2.458 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.553 11.844 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.769 10.756 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.700 11.921 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.533 12.355 1.623 1.00 0.00 H new ATOM 848 N GLU A 57 -17.135 12.908 -0.750 1.00 0.00 N ATOM 849 CA GLU A 57 -17.166 12.799 -2.204 1.00 0.00 C ATOM 850 C GLU A 57 -15.789 13.080 -2.800 1.00 0.00 C ATOM 851 O GLU A 57 -15.538 12.796 -3.970 1.00 0.00 O ATOM 852 CB GLU A 57 -18.195 13.768 -2.789 1.00 0.00 C ATOM 853 CG GLU A 57 -18.544 13.482 -4.240 1.00 0.00 C ATOM 854 CD GLU A 57 -19.507 14.500 -4.820 1.00 0.00 C ATOM 855 OE1 GLU A 57 -19.049 15.597 -5.204 1.00 0.00 O ATOM 856 OE2 GLU A 57 -20.717 14.201 -4.889 1.00 0.00 O ATOM 0 H GLU A 57 -17.784 13.594 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.452 11.779 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -19.105 13.724 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.810 14.785 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.630 13.472 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -18.984 12.488 -4.315 1.00 0.00 H new ATOM 863 N ASN A 58 -14.902 13.641 -1.985 1.00 0.00 N ATOM 864 CA ASN A 58 -13.551 13.962 -2.431 1.00 0.00 C ATOM 865 C ASN A 58 -12.534 13.003 -1.820 1.00 0.00 C ATOM 866 O ASN A 58 -11.377 13.364 -1.601 1.00 0.00 O ATOM 867 CB ASN A 58 -13.197 15.403 -2.057 1.00 0.00 C ATOM 868 CG ASN A 58 -13.940 16.419 -2.904 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.261 16.295 -2.953 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -13.333 17.304 -3.506 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.094 13.883 -1.013 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.519 13.856 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.430 15.570 -1.005 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.124 15.553 -2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.317 17.361 -3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.846 17.980 -4.071 1.00 0.00 H new ATOM 877 N LEU A 59 -12.973 11.779 -1.549 1.00 0.00 N ATOM 878 CA LEU A 59 -12.101 10.766 -0.964 1.00 0.00 C ATOM 879 C LEU A 59 -11.071 10.282 -1.979 1.00 0.00 C ATOM 880 O LEU A 59 -11.423 9.820 -3.065 1.00 0.00 O ATOM 881 CB LEU A 59 -12.929 9.583 -0.457 1.00 0.00 C ATOM 882 CG LEU A 59 -12.270 8.712 0.613 1.00 0.00 C ATOM 883 CD1 LEU A 59 -10.941 8.167 0.113 1.00 0.00 C ATOM 884 CD2 LEU A 59 -12.075 9.503 1.898 1.00 0.00 C ATOM 0 H LEU A 59 -13.927 11.464 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.572 11.218 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.867 9.967 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.180 8.950 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.928 7.869 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.486 7.550 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.108 7.565 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.275 8.996 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.605 8.868 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.438 10.365 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.043 9.844 2.266 1.00 0.00 H new ATOM 896 N VAL A 60 -9.796 10.390 -1.619 1.00 0.00 N ATOM 897 CA VAL A 60 -8.714 9.960 -2.497 1.00 0.00 C ATOM 898 C VAL A 60 -8.186 8.589 -2.089 1.00 0.00 C ATOM 899 O VAL A 60 -8.087 8.280 -0.901 1.00 0.00 O ATOM 900 CB VAL A 60 -7.550 10.969 -2.488 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.286 10.332 -3.045 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.921 12.216 -3.277 1.00 0.00 C ATOM 0 H VAL A 60 -9.487 10.772 -0.725 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.128 9.902 -3.504 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.355 11.263 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.475 11.060 -3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.012 9.472 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.464 10.007 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.088 12.918 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.144 11.941 -4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.798 12.683 -2.828 1.00 0.00 H new ATOM 912 N GLN A 61 -7.849 7.772 -3.081 1.00 0.00 N ATOM 913 CA GLN A 61 -7.332 6.433 -2.824 1.00 0.00 C ATOM 914 C GLN A 61 -6.189 6.099 -3.778 1.00 0.00 C ATOM 915 O GLN A 61 -6.324 6.230 -4.994 1.00 0.00 O ATOM 916 CB GLN A 61 -8.448 5.396 -2.965 1.00 0.00 C ATOM 917 CG GLN A 61 -9.496 5.478 -1.867 1.00 0.00 C ATOM 918 CD GLN A 61 -10.617 4.475 -2.054 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.072 4.238 -3.174 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.069 3.880 -0.957 1.00 0.00 N ATOM 0 H GLN A 61 -7.924 8.013 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.950 6.408 -1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.935 5.527 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.008 4.399 -2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.019 5.308 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.914 6.484 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.663 4.107 -0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.823 3.196 -1.022 1.00 0.00 H new ATOM 929 N TRP A 62 -5.064 5.670 -3.217 1.00 0.00 N ATOM 930 CA TRP A 62 -3.897 5.318 -4.018 1.00 0.00 C ATOM 931 C TRP A 62 -3.046 4.270 -3.309 1.00 0.00 C ATOM 932 O TRP A 62 -2.854 4.333 -2.095 1.00 0.00 O ATOM 933 CB TRP A 62 -3.058 6.563 -4.309 1.00 0.00 C ATOM 934 CG TRP A 62 -2.200 6.984 -3.154 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.856 6.786 -3.017 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.629 7.673 -1.975 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.423 7.310 -1.823 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.491 7.861 -1.165 1.00 0.00 C ATOM 939 CE3 TRP A 62 -3.862 8.152 -1.524 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.553 8.505 0.068 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -3.922 8.791 -0.300 1.00 0.00 C ATOM 942 CH2 TRP A 62 -2.773 8.964 0.484 1.00 0.00 C ATOM 0 H TRP A 62 -4.935 5.558 -2.211 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.248 4.897 -4.960 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.422 6.370 -5.173 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.721 7.385 -4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.226 6.290 -3.741 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.538 7.292 -1.482 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.753 8.025 -2.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.669 8.638 0.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.870 9.163 0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -2.852 9.470 1.435 1.00 0.00 H new ATOM 953 N GLU A 63 -2.538 3.309 -4.074 1.00 0.00 N ATOM 954 CA GLU A 63 -1.708 2.248 -3.516 1.00 0.00 C ATOM 955 C GLU A 63 -0.228 2.609 -3.611 1.00 0.00 C ATOM 956 O GLU A 63 0.145 3.571 -4.282 1.00 0.00 O ATOM 957 CB GLU A 63 -1.970 0.929 -4.245 1.00 0.00 C ATOM 958 CG GLU A 63 -3.404 0.441 -4.124 1.00 0.00 C ATOM 959 CD GLU A 63 -3.846 -0.376 -5.322 1.00 0.00 C ATOM 960 OE1 GLU A 63 -2.976 -0.763 -6.131 1.00 0.00 O ATOM 961 OE2 GLU A 63 -5.062 -0.628 -5.451 1.00 0.00 O ATOM 0 H GLU A 63 -2.687 3.243 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.969 2.132 -2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.725 1.052 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.301 0.165 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.504 -0.162 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.067 1.299 -4.009 1.00 0.00 H new ATOM 968 N MET A 64 0.610 1.830 -2.935 1.00 0.00 N ATOM 969 CA MET A 64 2.049 2.066 -2.943 1.00 0.00 C ATOM 970 C MET A 64 2.816 0.752 -2.837 1.00 0.00 C ATOM 971 O MET A 64 2.803 0.099 -1.795 1.00 0.00 O ATOM 972 CB MET A 64 2.441 2.994 -1.792 1.00 0.00 C ATOM 973 CG MET A 64 2.188 4.465 -2.083 1.00 0.00 C ATOM 974 SD MET A 64 2.335 5.499 -0.613 1.00 0.00 S ATOM 975 CE MET A 64 4.067 5.276 -0.215 1.00 0.00 C ATOM 0 H MET A 64 0.317 1.030 -2.375 1.00 0.00 H new ATOM 0 HA MET A 64 2.309 2.542 -3.888 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.884 2.708 -0.900 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.498 2.853 -1.567 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.896 4.809 -2.837 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.190 4.581 -2.506 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.170 5.050 0.846 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.472 4.452 -0.803 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.614 6.190 -0.446 1.00 0.00 H new ATOM 985 N GLU A 65 3.483 0.373 -3.923 1.00 0.00 N ATOM 986 CA GLU A 65 4.255 -0.864 -3.950 1.00 0.00 C ATOM 987 C GLU A 65 5.751 -0.571 -4.010 1.00 0.00 C ATOM 988 O GLU A 65 6.220 0.147 -4.894 1.00 0.00 O ATOM 989 CB GLU A 65 3.844 -1.721 -5.149 1.00 0.00 C ATOM 990 CG GLU A 65 4.910 -2.713 -5.583 1.00 0.00 C ATOM 991 CD GLU A 65 4.436 -3.632 -6.692 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.932 -3.117 -7.712 1.00 0.00 O ATOM 993 OE2 GLU A 65 4.570 -4.864 -6.541 1.00 0.00 O ATOM 0 H GLU A 65 3.504 0.904 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 65 4.046 -1.412 -3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.933 -2.265 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.606 -1.067 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.792 -2.168 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.214 -3.312 -4.725 1.00 0.00 H new ATOM 1000 N VAL A 66 6.497 -1.131 -3.063 1.00 0.00 N ATOM 1001 CA VAL A 66 7.940 -0.930 -3.007 1.00 0.00 C ATOM 1002 C VAL A 66 8.659 -1.829 -4.007 1.00 0.00 C ATOM 1003 O VAL A 66 8.533 -3.054 -3.959 1.00 0.00 O ATOM 1004 CB VAL A 66 8.491 -1.208 -1.596 1.00 0.00 C ATOM 1005 CG1 VAL A 66 9.995 -0.983 -1.556 1.00 0.00 C ATOM 1006 CG2 VAL A 66 7.786 -0.335 -0.569 1.00 0.00 C ATOM 0 H VAL A 66 6.126 -1.728 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 66 8.124 0.114 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 66 8.297 -2.252 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.366 -1.184 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.482 -1.653 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.216 0.050 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.187 -0.544 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.948 0.715 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.717 -0.550 -0.581 1.00 0.00 H new ATOM 1016 N CYS A 67 9.412 -1.214 -4.912 1.00 0.00 N ATOM 1017 CA CYS A 67 10.152 -1.959 -5.925 1.00 0.00 C ATOM 1018 C CYS A 67 11.405 -1.201 -6.351 1.00 0.00 C ATOM 1019 O CYS A 67 11.446 0.029 -6.303 1.00 0.00 O ATOM 1020 CB CYS A 67 9.264 -2.226 -7.141 1.00 0.00 C ATOM 1021 SG CYS A 67 8.278 -3.736 -7.018 1.00 0.00 S ATOM 0 H CYS A 67 9.526 -0.202 -4.965 1.00 0.00 H new ATOM 0 HA CYS A 67 10.456 -2.911 -5.490 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.594 -1.378 -7.281 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.892 -2.286 -8.030 1.00 0.00 H new ATOM 0 HG CYS A 67 8.018 -3.984 -5.769 1.00 0.00 H new ATOM 1027 N LYS A 68 12.426 -1.942 -6.766 1.00 0.00 N ATOM 1028 CA LYS A 68 13.681 -1.340 -7.201 1.00 0.00 C ATOM 1029 C LYS A 68 13.551 -0.764 -8.607 1.00 0.00 C ATOM 1030 O LYS A 68 12.941 -1.376 -9.486 1.00 0.00 O ATOM 1031 CB LYS A 68 14.806 -2.377 -7.166 1.00 0.00 C ATOM 1032 CG LYS A 68 15.471 -2.507 -5.806 1.00 0.00 C ATOM 1033 CD LYS A 68 16.734 -3.349 -5.882 1.00 0.00 C ATOM 1034 CE LYS A 68 17.401 -3.477 -4.520 1.00 0.00 C ATOM 1035 NZ LYS A 68 18.647 -4.289 -4.587 1.00 0.00 N ATOM 0 H LYS A 68 12.409 -2.961 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 68 13.921 -0.527 -6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.404 -3.347 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.560 -2.108 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.715 -1.516 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.773 -2.958 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.489 -4.340 -6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.431 -2.899 -6.589 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.635 -2.484 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.706 -3.936 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.071 -4.353 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.421 -5.244 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.321 -3.838 -5.238 1.00 0.00 H new ATOM 1049 N LEU A 69 14.127 0.414 -8.815 1.00 0.00 N ATOM 1050 CA LEU A 69 14.077 1.073 -10.115 1.00 0.00 C ATOM 1051 C LEU A 69 15.040 0.414 -11.097 1.00 0.00 C ATOM 1052 O LEU A 69 16.217 0.202 -10.802 1.00 0.00 O ATOM 1053 CB LEU A 69 14.414 2.558 -9.971 1.00 0.00 C ATOM 1054 CG LEU A 69 13.599 3.333 -8.935 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.368 4.554 -8.455 1.00 0.00 C ATOM 1056 CD2 LEU A 69 12.252 3.743 -9.514 1.00 0.00 C ATOM 0 H LEU A 69 14.635 0.933 -8.099 1.00 0.00 H new ATOM 0 HA LEU A 69 13.064 0.974 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.470 2.647 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.280 3.036 -10.941 1.00 0.00 H new ATOM 0 HG LEU A 69 13.422 2.681 -8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.772 5.093 -7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.307 4.237 -8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.577 5.208 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.685 4.293 -8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.409 4.377 -10.387 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.696 2.853 -9.807 1.00 0.00 H new ATOM 1068 N PRO A 70 14.533 0.084 -12.294 1.00 0.00 N ATOM 1069 CA PRO A 70 15.333 -0.553 -13.345 1.00 0.00 C ATOM 1070 C PRO A 70 16.371 0.394 -13.937 1.00 0.00 C ATOM 1071 O PRO A 70 17.203 -0.012 -14.748 1.00 0.00 O ATOM 1072 CB PRO A 70 14.292 -0.934 -14.401 1.00 0.00 C ATOM 1073 CG PRO A 70 13.171 0.024 -14.190 1.00 0.00 C ATOM 1074 CD PRO A 70 13.139 0.307 -12.714 1.00 0.00 C ATOM 0 HA PRO A 70 15.905 -1.400 -12.966 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.700 -0.850 -15.408 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.961 -1.965 -14.276 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.328 0.940 -14.759 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.226 -0.402 -14.526 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.815 1.327 -12.507 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.451 -0.358 -12.192 1.00 0.00 H new ATOM 1082 N ARG A 71 16.317 1.656 -13.525 1.00 0.00 N ATOM 1083 CA ARG A 71 17.253 2.660 -14.016 1.00 0.00 C ATOM 1084 C ARG A 71 18.338 2.944 -12.982 1.00 0.00 C ATOM 1085 O ARG A 71 19.525 2.740 -13.240 1.00 0.00 O ATOM 1086 CB ARG A 71 16.512 3.954 -14.360 1.00 0.00 C ATOM 1087 CG ARG A 71 15.905 3.956 -15.754 1.00 0.00 C ATOM 1088 CD ARG A 71 16.880 4.504 -16.785 1.00 0.00 C ATOM 1089 NE ARG A 71 17.911 3.530 -17.135 1.00 0.00 N ATOM 1090 CZ ARG A 71 17.741 2.575 -18.042 1.00 0.00 C ATOM 1091 NH1 ARG A 71 16.588 2.466 -18.687 1.00 0.00 N ATOM 1092 NH2 ARG A 71 18.727 1.727 -18.306 1.00 0.00 N ATOM 0 H ARG A 71 15.635 2.008 -12.853 1.00 0.00 H new ATOM 0 HA ARG A 71 17.726 2.269 -14.917 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.721 4.115 -13.628 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.203 4.793 -14.272 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.616 2.941 -16.028 1.00 0.00 H new ATOM 0 HG3 ARG A 71 14.996 4.557 -15.755 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.334 4.792 -17.683 1.00 0.00 H new ATOM 0 HD3 ARG A 71 17.351 5.406 -16.395 1.00 0.00 H new ATOM 0 HE ARG A 71 18.810 3.587 -16.657 1.00 0.00 H new ATOM 0 HH11 ARG A 71 15.828 3.117 -18.487 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.461 1.731 -19.383 1.00 0.00 H new ATOM 0 HH21 ARG A 71 19.616 1.809 -17.812 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.596 0.994 -19.003 1.00 0.00 H new ATOM 1106 N LEU A 72 17.924 3.414 -11.811 1.00 0.00 N ATOM 1107 CA LEU A 72 18.861 3.726 -10.737 1.00 0.00 C ATOM 1108 C LEU A 72 19.019 2.540 -9.791 1.00 0.00 C ATOM 1109 O LEU A 72 18.226 1.599 -9.821 1.00 0.00 O ATOM 1110 CB LEU A 72 18.384 4.954 -9.958 1.00 0.00 C ATOM 1111 CG LEU A 72 18.213 6.238 -10.770 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.850 6.265 -11.445 1.00 0.00 C ATOM 1113 CD2 LEU A 72 18.393 7.459 -9.880 1.00 0.00 C ATOM 0 H LEU A 72 16.946 3.588 -11.581 1.00 0.00 H new ATOM 0 HA LEU A 72 19.831 3.942 -11.185 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.430 4.714 -9.489 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.094 5.148 -9.154 1.00 0.00 H new ATOM 0 HG LEU A 72 18.980 6.261 -11.544 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.746 7.186 -12.018 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.758 5.409 -12.114 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.068 6.219 -10.687 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.268 8.364 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.649 7.442 -9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.392 7.447 -9.443 1.00 0.00 H new ATOM 1125 N SER A 73 20.048 2.593 -8.951 1.00 0.00 N ATOM 1126 CA SER A 73 20.312 1.522 -7.997 1.00 0.00 C ATOM 1127 C SER A 73 19.741 1.865 -6.624 1.00 0.00 C ATOM 1128 O SER A 73 20.463 1.885 -5.626 1.00 0.00 O ATOM 1129 CB SER A 73 21.816 1.267 -7.887 1.00 0.00 C ATOM 1130 OG SER A 73 22.078 -0.007 -7.326 1.00 0.00 O ATOM 0 H SER A 73 20.712 3.366 -8.912 1.00 0.00 H new ATOM 0 HA SER A 73 19.823 0.618 -8.359 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.272 1.334 -8.875 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.275 2.040 -7.271 1.00 0.00 H new ATOM 0 HG SER A 73 23.046 -0.146 -7.268 1.00 0.00 H new ATOM 1136 N LEU A 74 18.441 2.135 -6.581 1.00 0.00 N ATOM 1137 CA LEU A 74 17.771 2.477 -5.331 1.00 0.00 C ATOM 1138 C LEU A 74 16.331 1.975 -5.330 1.00 0.00 C ATOM 1139 O LEU A 74 15.715 1.824 -6.385 1.00 0.00 O ATOM 1140 CB LEU A 74 17.796 3.991 -5.115 1.00 0.00 C ATOM 1141 CG LEU A 74 19.175 4.651 -5.141 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.554 5.041 -6.561 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.202 5.867 -4.226 1.00 0.00 C ATOM 0 H LEU A 74 17.830 2.124 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 74 18.306 1.991 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.178 4.457 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.330 4.208 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 74 19.908 3.931 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.538 5.509 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.577 4.150 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.819 5.743 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.191 6.324 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.458 6.590 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 74 18.977 5.559 -3.205 1.00 0.00 H new ATOM 1155 N ASN A 75 15.799 1.721 -4.139 1.00 0.00 N ATOM 1156 CA ASN A 75 14.430 1.238 -4.000 1.00 0.00 C ATOM 1157 C ASN A 75 13.434 2.389 -4.106 1.00 0.00 C ATOM 1158 O ASN A 75 13.309 3.202 -3.191 1.00 0.00 O ATOM 1159 CB ASN A 75 14.254 0.518 -2.662 1.00 0.00 C ATOM 1160 CG ASN A 75 15.261 -0.600 -2.471 1.00 0.00 C ATOM 1161 OD1 ASN A 75 16.445 -0.351 -2.242 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.795 -1.839 -2.563 1.00 0.00 N ATOM 0 H ASN A 75 16.295 1.842 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 75 14.235 0.536 -4.811 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.355 1.237 -1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.245 0.109 -2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.426 -2.631 -2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.806 -1.999 -2.754 1.00 0.00 H new ATOM 1169 N GLY A 76 12.725 2.451 -5.229 1.00 0.00 N ATOM 1170 CA GLY A 76 11.749 3.505 -5.434 1.00 0.00 C ATOM 1171 C GLY A 76 10.355 3.096 -4.999 1.00 0.00 C ATOM 1172 O GLY A 76 10.107 1.927 -4.703 1.00 0.00 O ATOM 0 H GLY A 76 12.809 1.790 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.054 4.392 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.731 3.780 -6.489 1.00 0.00 H new ATOM 1176 N VAL A 77 9.443 4.062 -4.958 1.00 0.00 N ATOM 1177 CA VAL A 77 8.067 3.797 -4.556 1.00 0.00 C ATOM 1178 C VAL A 77 7.113 3.931 -5.737 1.00 0.00 C ATOM 1179 O VAL A 77 7.417 4.608 -6.720 1.00 0.00 O ATOM 1180 CB VAL A 77 7.616 4.754 -3.436 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.130 4.586 -3.156 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.434 4.520 -2.175 1.00 0.00 C ATOM 0 H VAL A 77 9.632 5.035 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 77 8.038 2.773 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 77 7.785 5.779 -3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.830 5.270 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.562 4.807 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.932 3.560 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.102 5.204 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.298 3.492 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.489 4.696 -2.388 1.00 0.00 H new ATOM 1192 N ARG A 78 5.958 3.282 -5.635 1.00 0.00 N ATOM 1193 CA ARG A 78 4.959 3.327 -6.696 1.00 0.00 C ATOM 1194 C ARG A 78 3.728 4.111 -6.250 1.00 0.00 C ATOM 1195 O ARG A 78 3.338 4.063 -5.083 1.00 0.00 O ATOM 1196 CB ARG A 78 4.554 1.910 -7.106 1.00 0.00 C ATOM 1197 CG ARG A 78 4.125 1.796 -8.559 1.00 0.00 C ATOM 1198 CD ARG A 78 5.304 1.476 -9.465 1.00 0.00 C ATOM 1199 NE ARG A 78 6.006 2.682 -9.896 1.00 0.00 N ATOM 1200 CZ ARG A 78 7.030 2.674 -10.741 1.00 0.00 C ATOM 1201 NH1 ARG A 78 7.470 1.529 -11.244 1.00 0.00 N ATOM 1202 NH2 ARG A 78 7.617 3.813 -11.086 1.00 0.00 N ATOM 0 H ARG A 78 5.691 2.718 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 78 5.400 3.833 -7.555 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.392 1.236 -6.930 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.736 1.576 -6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.368 1.017 -8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.663 2.731 -8.877 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.998 0.821 -8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.951 0.930 -10.340 1.00 0.00 H new ATOM 0 HE ARG A 78 5.692 3.580 -9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.022 0.651 -10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.257 1.526 -11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.282 4.696 -10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.404 3.805 -11.735 1.00 0.00 H new ATOM 1216 N PHE A 79 3.120 4.831 -7.187 1.00 0.00 N ATOM 1217 CA PHE A 79 1.935 5.626 -6.891 1.00 0.00 C ATOM 1218 C PHE A 79 0.865 5.428 -7.961 1.00 0.00 C ATOM 1219 O PHE A 79 0.998 5.910 -9.086 1.00 0.00 O ATOM 1220 CB PHE A 79 2.301 7.109 -6.789 1.00 0.00 C ATOM 1221 CG PHE A 79 3.103 7.445 -5.564 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.368 6.911 -5.381 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.592 8.296 -4.597 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.108 7.219 -4.254 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.327 8.607 -3.469 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.587 8.069 -3.298 1.00 0.00 C ATOM 0 H PHE A 79 3.429 4.880 -8.158 1.00 0.00 H new ATOM 0 HA PHE A 79 1.534 5.291 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.867 7.397 -7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.386 7.702 -6.789 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.781 6.247 -6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.608 8.721 -4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.093 6.795 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.916 9.270 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.164 8.312 -2.418 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.196 4.713 -7.602 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.290 4.449 -8.529 1.00 0.00 C ATOM 1238 C LYS A 80 -2.560 5.172 -8.092 1.00 0.00 C ATOM 1239 O LYS A 80 -2.929 5.143 -6.918 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.554 2.945 -8.624 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.556 2.570 -9.703 1.00 0.00 C ATOM 1242 CD LYS A 80 -1.994 2.813 -11.094 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.040 2.560 -12.169 1.00 0.00 C ATOM 1244 NZ LYS A 80 -3.054 1.136 -12.605 1.00 0.00 N ATOM 0 H LYS A 80 -0.321 4.306 -6.675 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.999 4.823 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.613 2.431 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.919 2.587 -7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.829 1.520 -9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.469 3.151 -9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.635 3.839 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.135 2.162 -11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.024 2.833 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.841 3.201 -13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.780 1.004 -13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.122 0.882 -12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.270 0.526 -11.791 1.00 0.00 H new ATOM 1258 N ARG A 81 -3.225 5.819 -9.043 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.454 6.549 -8.756 1.00 0.00 C ATOM 1260 C ARG A 81 -5.675 5.652 -8.937 1.00 0.00 C ATOM 1261 O ARG A 81 -6.094 5.376 -10.061 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.569 7.774 -9.665 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.617 8.776 -9.207 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.786 9.904 -10.212 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.986 9.403 -11.569 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.991 9.093 -12.393 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.733 9.233 -12.000 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -5.254 8.642 -13.613 1.00 0.00 N ATOM 0 H ARG A 81 -2.933 5.853 -10.020 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.417 6.878 -7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.600 8.271 -9.715 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.811 7.445 -10.676 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.571 8.268 -9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.329 9.189 -8.240 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.637 10.521 -9.924 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.905 10.545 -10.189 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.943 9.284 -11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.527 9.579 -11.063 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.971 8.994 -12.635 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.221 8.533 -13.919 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.489 8.404 -14.245 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.239 5.198 -7.823 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.411 4.333 -7.859 1.00 0.00 C ATOM 1284 C ILE A 82 -8.686 5.142 -8.071 1.00 0.00 C ATOM 1285 O ILE A 82 -9.339 5.030 -9.109 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.547 3.514 -6.561 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.241 2.778 -6.258 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.702 2.531 -6.673 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -5.619 2.125 -7.473 1.00 0.00 C ATOM 0 H ILE A 82 -5.903 5.415 -6.885 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.273 3.650 -8.698 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.756 4.197 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.528 3.482 -5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.430 2.015 -5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.785 1.960 -5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.629 3.077 -6.847 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.521 1.850 -7.505 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.696 1.622 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.314 1.396 -7.890 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.398 2.886 -8.222 1.00 0.00 H new ATOM 1301 N SER A 83 -9.034 5.959 -7.082 1.00 0.00 N ATOM 1302 CA SER A 83 -10.232 6.787 -7.160 1.00 0.00 C ATOM 1303 C SER A 83 -9.896 8.254 -6.910 1.00 0.00 C ATOM 1304 O SER A 83 -8.824 8.579 -6.401 1.00 0.00 O ATOM 1305 CB SER A 83 -11.274 6.310 -6.146 1.00 0.00 C ATOM 1306 OG SER A 83 -11.661 4.971 -6.404 1.00 0.00 O ATOM 0 H SER A 83 -8.503 6.065 -6.217 1.00 0.00 H new ATOM 0 HA SER A 83 -10.644 6.693 -8.165 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.867 6.386 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.149 6.959 -6.186 1.00 0.00 H new ATOM 0 HG SER A 83 -12.326 4.689 -5.742 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.822 9.137 -7.271 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.607 10.559 -7.079 1.00 0.00 C ATOM 1314 C GLY A 84 -10.069 11.237 -8.323 1.00 0.00 C ATOM 1315 O GLY A 84 -9.776 10.579 -9.322 1.00 0.00 O ATOM 0 H GLY A 84 -11.718 8.893 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.547 11.030 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.909 10.710 -6.256 1.00 0.00 H new ATOM 1319 N THR A 85 -9.939 12.559 -8.265 1.00 0.00 N ATOM 1320 CA THR A 85 -9.435 13.328 -9.397 1.00 0.00 C ATOM 1321 C THR A 85 -7.934 13.561 -9.278 1.00 0.00 C ATOM 1322 O THR A 85 -7.348 13.371 -8.212 1.00 0.00 O ATOM 1323 CB THR A 85 -10.147 14.689 -9.512 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.695 15.380 -10.682 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.887 15.542 -8.280 1.00 0.00 C ATOM 0 H THR A 85 -10.176 13.119 -7.446 1.00 0.00 H new ATOM 0 HA THR A 85 -9.639 12.742 -10.293 1.00 0.00 H new ATOM 0 HB THR A 85 -11.219 14.508 -9.589 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.153 16.244 -10.749 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.400 16.498 -8.385 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.259 15.026 -7.395 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.816 15.715 -8.176 1.00 0.00 H new ATOM 1333 N SER A 86 -7.315 13.975 -10.379 1.00 0.00 N ATOM 1334 CA SER A 86 -5.880 14.231 -10.399 1.00 0.00 C ATOM 1335 C SER A 86 -5.514 15.348 -9.426 1.00 0.00 C ATOM 1336 O SER A 86 -4.645 15.179 -8.569 1.00 0.00 O ATOM 1337 CB SER A 86 -5.426 14.602 -11.812 1.00 0.00 C ATOM 1338 OG SER A 86 -5.446 13.473 -12.668 1.00 0.00 O ATOM 0 H SER A 86 -7.785 14.140 -11.269 1.00 0.00 H new ATOM 0 HA SER A 86 -5.369 13.320 -10.088 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.077 15.378 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.419 15.017 -11.776 1.00 0.00 H new ATOM 0 HG SER A 86 -5.153 13.737 -13.565 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.182 16.488 -9.565 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.929 17.632 -8.698 1.00 0.00 C ATOM 1346 C ILE A 87 -5.792 17.199 -7.242 1.00 0.00 C ATOM 1347 O ILE A 87 -4.881 17.632 -6.538 1.00 0.00 O ATOM 1348 CB ILE A 87 -7.052 18.680 -8.807 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -7.046 19.324 -10.195 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.894 19.739 -7.726 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -8.268 20.171 -10.474 1.00 0.00 C ATOM 0 H ILE A 87 -6.903 16.644 -10.270 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.992 18.079 -9.031 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.010 18.181 -8.663 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.154 19.943 -10.296 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.977 18.541 -10.950 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.695 20.473 -7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.942 19.267 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.931 20.237 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.196 20.596 -11.475 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.163 19.552 -10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.327 20.976 -9.742 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.704 16.340 -6.798 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.683 15.845 -5.427 1.00 0.00 C ATOM 1365 C ALA A 88 -5.612 14.775 -5.246 1.00 0.00 C ATOM 1366 O ALA A 88 -4.876 14.780 -4.259 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.050 15.297 -5.043 1.00 0.00 C ATOM 0 H ALA A 88 -7.466 15.973 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.440 16.679 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.020 14.931 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.795 16.088 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.315 14.479 -5.713 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.530 13.858 -6.204 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.549 12.781 -6.149 1.00 0.00 C ATOM 1375 C PHE A 89 -3.145 13.334 -5.926 1.00 0.00 C ATOM 1376 O PHE A 89 -2.373 12.800 -5.130 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.587 11.961 -7.441 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.454 10.983 -7.564 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.144 10.126 -6.521 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.698 10.921 -8.724 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.102 9.225 -6.631 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.655 10.022 -8.840 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.356 9.174 -7.792 1.00 0.00 C ATOM 0 H PHE A 89 -6.131 13.839 -7.028 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.803 12.135 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.531 11.419 -7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.565 12.640 -8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.724 10.162 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.927 11.583 -9.546 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.871 8.562 -5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.074 9.983 -9.750 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.540 8.472 -7.880 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.819 14.409 -6.636 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.509 15.037 -6.517 1.00 0.00 C ATOM 1395 C LYS A 90 -1.350 15.710 -5.158 1.00 0.00 C ATOM 1396 O LYS A 90 -0.312 15.583 -4.510 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.311 16.066 -7.633 1.00 0.00 C ATOM 1398 CG LYS A 90 0.142 16.257 -8.033 1.00 0.00 C ATOM 1399 CD LYS A 90 0.817 17.324 -7.187 1.00 0.00 C ATOM 1400 CE LYS A 90 0.429 18.723 -7.639 1.00 0.00 C ATOM 1401 NZ LYS A 90 1.115 19.107 -8.904 1.00 0.00 N ATOM 0 H LYS A 90 -3.445 14.864 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.751 14.259 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.882 15.755 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.719 17.024 -7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.677 15.313 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.197 16.537 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.541 17.189 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.899 17.208 -7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.650 18.772 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.680 19.440 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.961 20.119 -9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.135 18.923 -8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.729 18.548 -9.692 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.386 16.425 -4.731 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.360 17.116 -3.447 1.00 0.00 C ATOM 1417 C ASN A 91 -1.831 16.202 -2.347 1.00 0.00 C ATOM 1418 O ASN A 91 -0.692 16.345 -1.902 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.762 17.612 -3.083 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.034 19.010 -3.604 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.177 19.626 -4.238 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.231 19.518 -3.337 1.00 0.00 N ATOM 0 H ASN A 91 -3.253 16.541 -5.255 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.690 17.971 -3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.504 16.925 -3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.878 17.602 -1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.471 20.455 -3.661 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.911 18.971 -2.808 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.664 15.262 -1.914 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.279 14.323 -0.867 1.00 0.00 C ATOM 1431 C ILE A 92 -0.887 13.755 -1.123 1.00 0.00 C ATOM 1432 O ILE A 92 -0.064 13.669 -0.213 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.283 13.161 -0.757 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.729 12.064 0.154 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.600 12.601 -2.136 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.253 12.576 1.496 1.00 0.00 C ATOM 0 H ILE A 92 -3.610 15.130 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.275 14.879 0.070 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.207 13.540 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.501 11.312 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.900 11.568 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.311 11.780 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.032 13.386 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.684 12.235 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.874 11.744 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.458 13.307 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.084 13.047 2.021 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.631 13.371 -2.369 1.00 0.00 N ATOM 1449 CA ALA A 93 0.662 12.815 -2.746 1.00 0.00 C ATOM 1450 C ALA A 93 1.801 13.730 -2.312 1.00 0.00 C ATOM 1451 O ALA A 93 2.817 13.269 -1.791 1.00 0.00 O ATOM 1452 CB ALA A 93 0.717 12.577 -4.248 1.00 0.00 C ATOM 0 H ALA A 93 -1.302 13.435 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 93 0.782 11.861 -2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.689 12.162 -4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.068 11.877 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.570 13.522 -4.772 1.00 0.00 H new ATOM 1458 N SER A 94 1.626 15.030 -2.529 1.00 0.00 N ATOM 1459 CA SER A 94 2.641 16.010 -2.164 1.00 0.00 C ATOM 1460 C SER A 94 2.974 15.920 -0.677 1.00 0.00 C ATOM 1461 O SER A 94 3.972 16.475 -0.217 1.00 0.00 O ATOM 1462 CB SER A 94 2.163 17.423 -2.506 1.00 0.00 C ATOM 1463 OG SER A 94 1.461 18.001 -1.419 1.00 0.00 O ATOM 0 H SER A 94 0.790 15.429 -2.956 1.00 0.00 H new ATOM 0 HA SER A 94 3.543 15.791 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.019 18.047 -2.764 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.517 17.389 -3.383 1.00 0.00 H new ATOM 0 HG SER A 94 0.581 17.578 -1.336 1.00 0.00 H new ATOM 1469 N LYS A 95 2.130 15.216 0.069 1.00 0.00 N ATOM 1470 CA LYS A 95 2.332 15.049 1.504 1.00 0.00 C ATOM 1471 C LYS A 95 3.123 13.779 1.798 1.00 0.00 C ATOM 1472 O LYS A 95 3.851 13.705 2.788 1.00 0.00 O ATOM 1473 CB LYS A 95 0.985 15.004 2.228 1.00 0.00 C ATOM 1474 CG LYS A 95 0.059 16.150 1.862 1.00 0.00 C ATOM 1475 CD LYS A 95 0.326 17.378 2.716 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.330 17.259 4.083 1.00 0.00 C ATOM 1477 NZ LYS A 95 -1.763 17.661 4.048 1.00 0.00 N ATOM 0 H LYS A 95 1.299 14.751 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 95 2.903 15.903 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.490 14.060 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.160 15.019 3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.189 16.402 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.977 15.836 1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.401 17.511 2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.050 18.265 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.250 16.231 4.436 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.205 17.884 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.174 17.566 4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.839 18.650 3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.279 17.048 3.385 1.00 0.00 H new ATOM 1491 N ILE A 96 2.976 12.782 0.932 1.00 0.00 N ATOM 1492 CA ILE A 96 3.678 11.516 1.099 1.00 0.00 C ATOM 1493 C ILE A 96 5.129 11.627 0.641 1.00 0.00 C ATOM 1494 O ILE A 96 6.055 11.418 1.424 1.00 0.00 O ATOM 1495 CB ILE A 96 2.991 10.383 0.315 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.484 10.391 0.581 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.593 9.037 0.690 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.112 9.912 1.967 1.00 0.00 C ATOM 0 H ILE A 96 2.377 12.827 0.108 1.00 0.00 H new ATOM 0 HA ILE A 96 3.651 11.279 2.163 1.00 0.00 H new ATOM 0 HB ILE A 96 3.155 10.547 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.104 11.403 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.990 9.760 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.096 8.247 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.657 9.036 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.457 8.862 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.029 9.945 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.461 8.889 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.577 10.557 2.712 1.00 0.00 H new ATOM 1510 N ALA A 97 5.318 11.961 -0.631 1.00 0.00 N ATOM 1511 CA ALA A 97 6.656 12.104 -1.192 1.00 0.00 C ATOM 1512 C ALA A 97 7.555 12.915 -0.266 1.00 0.00 C ATOM 1513 O ALA A 97 8.686 12.522 0.017 1.00 0.00 O ATOM 1514 CB ALA A 97 6.585 12.756 -2.565 1.00 0.00 C ATOM 0 H ALA A 97 4.562 12.138 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 97 7.088 11.109 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.591 12.857 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.984 12.137 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.129 13.742 -2.476 1.00 0.00 H new ATOM 1520 N ASN A 98 7.046 14.049 0.204 1.00 0.00 N ATOM 1521 CA ASN A 98 7.805 14.916 1.098 1.00 0.00 C ATOM 1522 C ASN A 98 7.991 14.260 2.463 1.00 0.00 C ATOM 1523 O ASN A 98 9.104 13.897 2.841 1.00 0.00 O ATOM 1524 CB ASN A 98 7.096 16.262 1.259 1.00 0.00 C ATOM 1525 CG ASN A 98 7.978 17.304 1.921 1.00 0.00 C ATOM 1526 OD1 ASN A 98 8.709 18.032 1.249 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.914 17.379 3.245 1.00 0.00 N ATOM 0 H ASN A 98 6.111 14.389 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 98 8.788 15.081 0.657 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.783 16.624 0.280 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.192 16.125 1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.485 18.060 3.745 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.294 16.756 3.762 1.00 0.00 H new ATOM 1534 N GLU A 99 6.892 14.111 3.197 1.00 0.00 N ATOM 1535 CA GLU A 99 6.936 13.499 4.519 1.00 0.00 C ATOM 1536 C GLU A 99 7.983 12.390 4.572 1.00 0.00 C ATOM 1537 O GLU A 99 8.858 12.388 5.438 1.00 0.00 O ATOM 1538 CB GLU A 99 5.562 12.936 4.890 1.00 0.00 C ATOM 1539 CG GLU A 99 4.551 14.002 5.277 1.00 0.00 C ATOM 1540 CD GLU A 99 4.720 14.475 6.707 1.00 0.00 C ATOM 1541 OE1 GLU A 99 4.143 13.839 7.614 1.00 0.00 O ATOM 1542 OE2 GLU A 99 5.429 15.481 6.921 1.00 0.00 O ATOM 0 H GLU A 99 5.962 14.405 2.898 1.00 0.00 H new ATOM 0 HA GLU A 99 7.212 14.270 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.172 12.367 4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.677 12.238 5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.650 14.853 4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.544 13.607 5.146 1.00 0.00 H new ATOM 1549 N LEU A 100 7.886 11.448 3.640 1.00 0.00 N ATOM 1550 CA LEU A 100 8.824 10.333 3.579 1.00 0.00 C ATOM 1551 C LEU A 100 10.253 10.809 3.820 1.00 0.00 C ATOM 1552 O LEU A 100 10.860 11.448 2.960 1.00 0.00 O ATOM 1553 CB LEU A 100 8.730 9.635 2.221 1.00 0.00 C ATOM 1554 CG LEU A 100 7.485 8.777 1.993 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.313 8.468 0.514 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.567 7.491 2.802 1.00 0.00 C ATOM 0 H LEU A 100 7.167 11.434 2.916 1.00 0.00 H new ATOM 0 HA LEU A 100 8.559 9.625 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.771 10.395 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.610 9.003 2.098 1.00 0.00 H new ATOM 0 HG LEU A 100 6.614 9.339 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.422 7.857 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.207 9.399 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.187 7.926 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.672 6.893 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.447 6.925 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.640 7.732 3.862 1.00 0.00 H new ATOM 1568 N LYS A 101 10.786 10.492 4.995 1.00 0.00 N ATOM 1569 CA LYS A 101 12.145 10.884 5.350 1.00 0.00 C ATOM 1570 C LYS A 101 13.149 9.822 4.912 1.00 0.00 C ATOM 1571 O LYS A 101 13.909 9.297 5.727 1.00 0.00 O ATOM 1572 CB LYS A 101 12.255 11.113 6.859 1.00 0.00 C ATOM 1573 CG LYS A 101 11.950 12.539 7.281 1.00 0.00 C ATOM 1574 CD LYS A 101 12.614 12.883 8.604 1.00 0.00 C ATOM 1575 CE LYS A 101 12.029 12.072 9.749 1.00 0.00 C ATOM 1576 NZ LYS A 101 12.697 10.748 9.890 1.00 0.00 N ATOM 0 H LYS A 101 10.297 9.964 5.718 1.00 0.00 H new ATOM 0 HA LYS A 101 12.375 11.814 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.571 10.437 7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.262 10.854 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.294 13.229 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.872 12.671 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.685 12.695 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.489 13.946 8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.131 12.631 10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.962 11.924 9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.780 10.507 10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.133 10.021 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.645 10.790 9.465 1.00 0.00 H new ATOM 1590 N LEU A 102 13.149 9.511 3.621 1.00 0.00 N ATOM 1591 CA LEU A 102 14.061 8.513 3.074 1.00 0.00 C ATOM 1592 C LEU A 102 15.319 9.172 2.516 1.00 0.00 C ATOM 1593 O LEU A 102 16.433 8.862 2.938 1.00 0.00 O ATOM 1594 CB LEU A 102 13.366 7.705 1.977 1.00 0.00 C ATOM 1595 CG LEU A 102 12.144 6.894 2.412 1.00 0.00 C ATOM 1596 CD1 LEU A 102 11.220 6.645 1.230 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.575 5.577 3.041 1.00 0.00 C ATOM 0 H LEU A 102 12.527 9.936 2.933 1.00 0.00 H new ATOM 0 HA LEU A 102 14.352 7.842 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.059 8.391 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.094 7.021 1.541 1.00 0.00 H new ATOM 0 HG LEU A 102 11.597 7.469 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.356 6.067 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.884 7.599 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.756 6.091 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.693 5.013 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.145 4.997 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.196 5.777 3.914 1.00 0.00 H new TER 1609 LEU A 102