USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 797 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ -153:sc= -0.244 (180deg=-1.61!) USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0105) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 60:sc= -0.106 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 25 SER OG : rot -33:sc= 0.545 USER MOD Single : A 28 ASN : amide:sc= -0.883 X(o=-0.88,f=-0.67) USER MOD Single : A 32 SER OG : rot -160:sc= -1.1 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0.618 (180deg=0.539) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.37! C(o=-1.4!,f=-2.9!) USER MOD Single : A 43 SER OG : rot -92:sc= -0.631! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 105:sc= -3.77! USER MOD Single : A 61 HIS : no HD1:sc= -5.8! X(o=-5.8!,f=-5.3) USER MOD Single : A 64 MET CE :methyl -153:sc= -4.58! (180deg=-7.34!) USER MOD Single : A 74 MET CE :methyl -121:sc= -1.43 (180deg=-2.97!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -125:sc= 1.22 USER MOD Single : A 83 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.231) USER MOD Single : A 88 MET CE :methyl 160:sc= -0.0693 (180deg=-0.792) USER MOD Single : A 89 SER OG : rot 63:sc= 1.08 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 107 SER OG : rot 175:sc= 0.0607 USER MOD Single : B 108 THR OG1 : rot 62:sc= 0.302 USER MOD Single : B 109 ASN : amide:sc= -10.4! C(o=-10!,f=-24!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 3.037 5.681 -23.807 1.00 0.00 N ATOM 2 CA PRO A 6 1.706 5.888 -23.189 1.00 0.00 C ATOM 3 C PRO A 6 1.776 5.581 -21.691 1.00 0.00 C ATOM 4 O PRO A 6 2.841 5.409 -21.135 1.00 0.00 O ATOM 5 CB PRO A 6 0.815 4.880 -23.910 1.00 0.00 C ATOM 6 CG PRO A 6 1.748 3.812 -24.386 1.00 0.00 C ATOM 7 CD PRO A 6 3.084 4.467 -24.628 1.00 0.00 C ATOM 0 HA PRO A 6 1.338 6.910 -23.280 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.057 4.473 -23.241 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.288 5.344 -24.743 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.837 3.019 -23.644 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.373 3.352 -25.300 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.907 3.816 -24.332 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.228 4.703 -25.682 1.00 0.00 H new ATOM 15 N TRP A 7 0.653 5.510 -21.033 1.00 0.00 N ATOM 16 CA TRP A 7 0.672 5.213 -19.573 1.00 0.00 C ATOM 17 C TRP A 7 0.536 3.708 -19.334 1.00 0.00 C ATOM 18 O TRP A 7 -0.378 3.070 -19.819 1.00 0.00 O ATOM 19 CB TRP A 7 -0.531 5.958 -18.998 1.00 0.00 C ATOM 20 CG TRP A 7 -0.573 5.750 -17.520 1.00 0.00 C ATOM 21 CD1 TRP A 7 0.458 5.293 -16.779 1.00 0.00 C ATOM 22 CD2 TRP A 7 -1.673 5.982 -16.595 1.00 0.00 C ATOM 23 NE1 TRP A 7 0.065 5.223 -15.457 1.00 0.00 N ATOM 24 CE2 TRP A 7 -1.243 5.638 -15.291 1.00 0.00 C ATOM 25 CE3 TRP A 7 -2.988 6.451 -16.759 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -2.089 5.756 -14.187 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -3.843 6.572 -15.650 1.00 0.00 C ATOM 28 CH2 TRP A 7 -3.394 6.224 -14.367 1.00 0.00 C ATOM 0 H TRP A 7 -0.273 5.644 -21.440 1.00 0.00 H new ATOM 0 HA TRP A 7 1.605 5.524 -19.104 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.459 7.021 -19.226 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.452 5.595 -19.455 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.433 5.025 -17.159 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.666 4.904 -14.697 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.343 6.720 -17.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.738 5.488 -13.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.851 6.935 -15.786 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.056 6.318 -13.519 1.00 0.00 H new ATOM 39 N ALA A 8 1.441 3.138 -18.588 1.00 0.00 N ATOM 40 CA ALA A 8 1.374 1.673 -18.310 1.00 0.00 C ATOM 41 C ALA A 8 -0.069 1.247 -18.035 1.00 0.00 C ATOM 42 O ALA A 8 -0.464 0.136 -18.327 1.00 0.00 O ATOM 43 CB ALA A 8 2.233 1.473 -17.062 1.00 0.00 C ATOM 0 H ALA A 8 2.227 3.624 -18.157 1.00 0.00 H new ATOM 0 HA ALA A 8 1.724 1.078 -19.153 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.237 0.418 -16.789 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.253 1.799 -17.266 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.822 2.059 -16.240 1.00 0.00 H new ATOM 49 N VAL A 9 -0.858 2.119 -17.473 1.00 0.00 N ATOM 50 CA VAL A 9 -2.274 1.758 -17.178 1.00 0.00 C ATOM 51 C VAL A 9 -3.156 2.042 -18.398 1.00 0.00 C ATOM 52 O VAL A 9 -2.819 2.845 -19.245 1.00 0.00 O ATOM 53 CB VAL A 9 -2.676 2.650 -16.003 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.196 2.607 -15.829 1.00 0.00 C ATOM 55 CG2 VAL A 9 -2.004 2.142 -14.726 1.00 0.00 C ATOM 0 H VAL A 9 -0.585 3.065 -17.205 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.390 0.700 -16.942 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.360 3.675 -16.198 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.484 3.242 -14.992 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.677 2.966 -16.739 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.511 1.582 -15.632 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.290 2.777 -13.887 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.322 1.118 -14.530 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.921 2.169 -14.849 1.00 0.00 H new ATOM 65 N LYS A 10 -4.282 1.390 -18.493 1.00 0.00 N ATOM 66 CA LYS A 10 -5.182 1.620 -19.658 1.00 0.00 C ATOM 67 C LYS A 10 -6.450 2.345 -19.205 1.00 0.00 C ATOM 68 O LYS A 10 -6.733 2.423 -18.026 1.00 0.00 O ATOM 69 CB LYS A 10 -5.518 0.220 -20.173 1.00 0.00 C ATOM 70 CG LYS A 10 -4.290 -0.381 -20.861 1.00 0.00 C ATOM 71 CD LYS A 10 -4.344 -0.071 -22.357 1.00 0.00 C ATOM 72 CE LYS A 10 -3.124 -0.682 -23.048 1.00 0.00 C ATOM 73 NZ LYS A 10 -1.950 -0.127 -22.318 1.00 0.00 N ATOM 0 H LYS A 10 -4.618 0.707 -17.814 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.720 2.239 -20.428 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.833 -0.417 -19.346 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.352 0.269 -20.873 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.379 0.029 -20.426 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.262 -1.459 -20.702 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.260 -0.473 -22.790 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.363 1.007 -22.516 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.144 -1.770 -22.994 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.094 -0.416 -24.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.127 -0.102 -22.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.167 0.837 -21.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.736 -0.728 -21.497 1.00 0.00 H new ATOM 87 N PRO A 11 -7.180 2.848 -20.163 1.00 0.00 N ATOM 88 CA PRO A 11 -8.442 3.565 -19.859 1.00 0.00 C ATOM 89 C PRO A 11 -9.477 2.579 -19.324 1.00 0.00 C ATOM 90 O PRO A 11 -10.282 2.900 -18.472 1.00 0.00 O ATOM 91 CB PRO A 11 -8.867 4.135 -21.208 1.00 0.00 C ATOM 92 CG PRO A 11 -8.211 3.250 -22.218 1.00 0.00 C ATOM 93 CD PRO A 11 -6.914 2.790 -21.605 1.00 0.00 C ATOM 0 HA PRO A 11 -8.333 4.340 -19.101 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.951 4.125 -21.318 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.545 5.170 -21.320 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.848 2.400 -22.461 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.031 3.789 -23.148 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.654 1.781 -21.925 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.084 3.438 -21.887 1.00 0.00 H new ATOM 101 N GLU A 12 -9.447 1.372 -19.812 1.00 0.00 N ATOM 102 CA GLU A 12 -10.409 0.347 -19.330 1.00 0.00 C ATOM 103 C GLU A 12 -9.968 -0.133 -17.944 1.00 0.00 C ATOM 104 O GLU A 12 -10.774 -0.544 -17.131 1.00 0.00 O ATOM 105 CB GLU A 12 -10.336 -0.774 -20.382 1.00 0.00 C ATOM 106 CG GLU A 12 -10.422 -2.150 -19.713 1.00 0.00 C ATOM 107 CD GLU A 12 -11.799 -2.324 -19.069 1.00 0.00 C ATOM 108 OE1 GLU A 12 -12.720 -1.644 -19.492 1.00 0.00 O ATOM 109 OE2 GLU A 12 -11.908 -3.133 -18.163 1.00 0.00 O ATOM 0 H GLU A 12 -8.794 1.051 -20.527 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.430 0.713 -19.223 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.150 -0.661 -21.099 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.404 -0.694 -20.942 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.253 -2.935 -20.450 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.642 -2.248 -18.958 1.00 0.00 H new ATOM 116 N ASP A 13 -8.695 -0.064 -17.665 1.00 0.00 N ATOM 117 CA ASP A 13 -8.204 -0.494 -16.333 1.00 0.00 C ATOM 118 C ASP A 13 -8.426 0.642 -15.345 1.00 0.00 C ATOM 119 O ASP A 13 -8.858 0.438 -14.230 1.00 0.00 O ATOM 120 CB ASP A 13 -6.713 -0.775 -16.523 1.00 0.00 C ATOM 121 CG ASP A 13 -6.534 -2.152 -17.168 1.00 0.00 C ATOM 122 OD1 ASP A 13 -7.477 -2.926 -17.134 1.00 0.00 O ATOM 123 OD2 ASP A 13 -5.459 -2.409 -17.683 1.00 0.00 O ATOM 0 H ASP A 13 -7.976 0.273 -18.305 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.718 -1.374 -15.948 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.264 -0.006 -17.151 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.200 -0.742 -15.562 1.00 0.00 H new ATOM 128 N LYS A 14 -8.162 1.846 -15.759 1.00 0.00 N ATOM 129 CA LYS A 14 -8.385 2.999 -14.852 1.00 0.00 C ATOM 130 C LYS A 14 -9.880 3.130 -14.570 1.00 0.00 C ATOM 131 O LYS A 14 -10.292 3.651 -13.552 1.00 0.00 O ATOM 132 CB LYS A 14 -7.881 4.219 -15.616 1.00 0.00 C ATOM 133 CG LYS A 14 -8.374 5.491 -14.925 1.00 0.00 C ATOM 134 CD LYS A 14 -7.981 5.452 -13.449 1.00 0.00 C ATOM 135 CE LYS A 14 -7.522 6.842 -13.005 1.00 0.00 C ATOM 136 NZ LYS A 14 -8.776 7.629 -12.847 1.00 0.00 N ATOM 0 H LYS A 14 -7.802 2.081 -16.684 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.872 2.887 -13.897 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.792 4.212 -15.656 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.238 4.190 -16.646 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.942 6.369 -15.405 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.456 5.575 -15.022 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.828 5.127 -12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.182 4.727 -13.294 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.966 6.794 -12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.862 7.295 -13.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.713 8.500 -13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.585 7.062 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.907 7.875 -11.845 1.00 0.00 H new ATOM 150 N ALA A 15 -10.696 2.645 -15.468 1.00 0.00 N ATOM 151 CA ALA A 15 -12.169 2.727 -15.257 1.00 0.00 C ATOM 152 C ALA A 15 -12.555 1.830 -14.086 1.00 0.00 C ATOM 153 O ALA A 15 -13.300 2.223 -13.210 1.00 0.00 O ATOM 154 CB ALA A 15 -12.795 2.218 -16.555 1.00 0.00 C ATOM 0 H ALA A 15 -10.406 2.196 -16.337 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.506 3.738 -15.026 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.881 2.250 -16.472 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.476 2.849 -17.385 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.475 1.192 -16.735 1.00 0.00 H new ATOM 160 N LYS A 16 -12.034 0.636 -14.051 1.00 0.00 N ATOM 161 CA LYS A 16 -12.354 -0.266 -12.917 1.00 0.00 C ATOM 162 C LYS A 16 -11.602 0.234 -11.682 1.00 0.00 C ATOM 163 O LYS A 16 -12.045 0.078 -10.562 1.00 0.00 O ATOM 164 CB LYS A 16 -11.893 -1.659 -13.368 1.00 0.00 C ATOM 165 CG LYS A 16 -10.465 -1.930 -12.899 1.00 0.00 C ATOM 166 CD LYS A 16 -10.045 -3.337 -13.328 1.00 0.00 C ATOM 167 CE LYS A 16 -9.430 -3.285 -14.729 1.00 0.00 C ATOM 168 NZ LYS A 16 -9.447 -4.695 -15.207 1.00 0.00 N ATOM 0 H LYS A 16 -11.405 0.250 -14.755 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.411 -0.295 -12.654 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.564 -2.418 -12.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.945 -1.731 -14.454 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.785 -1.191 -13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.403 -1.835 -11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.325 -3.744 -12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.908 -4.002 -13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.006 -2.637 -15.390 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.415 -2.890 -14.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.040 -4.742 -16.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.885 -5.287 -14.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.427 -5.042 -15.230 1.00 0.00 H new ATOM 182 N TYR A 17 -10.477 0.868 -11.892 1.00 0.00 N ATOM 183 CA TYR A 17 -9.706 1.416 -10.743 1.00 0.00 C ATOM 184 C TYR A 17 -10.506 2.560 -10.121 1.00 0.00 C ATOM 185 O TYR A 17 -10.528 2.742 -8.920 1.00 0.00 O ATOM 186 CB TYR A 17 -8.407 1.968 -11.342 1.00 0.00 C ATOM 187 CG TYR A 17 -7.585 0.865 -11.973 1.00 0.00 C ATOM 188 CD1 TYR A 17 -8.048 -0.455 -11.983 1.00 0.00 C ATOM 189 CD2 TYR A 17 -6.347 1.176 -12.550 1.00 0.00 C ATOM 190 CE1 TYR A 17 -7.275 -1.463 -12.570 1.00 0.00 C ATOM 191 CE2 TYR A 17 -5.571 0.170 -13.136 1.00 0.00 C ATOM 192 CZ TYR A 17 -6.034 -1.151 -13.145 1.00 0.00 C ATOM 193 OH TYR A 17 -5.272 -2.146 -13.723 1.00 0.00 O ATOM 0 H TYR A 17 -10.062 1.028 -12.810 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.509 0.666 -9.977 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.641 2.725 -12.091 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.824 2.460 -10.563 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.002 -0.696 -11.538 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.990 2.195 -12.542 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.634 -2.482 -12.580 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.617 0.412 -13.580 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.775 -2.560 -14.455 1.00 0.00 H new ATOM 203 N ASP A 18 -11.159 3.334 -10.948 1.00 0.00 N ATOM 204 CA ASP A 18 -11.961 4.480 -10.430 1.00 0.00 C ATOM 205 C ASP A 18 -13.254 3.980 -9.787 1.00 0.00 C ATOM 206 O ASP A 18 -13.926 4.705 -9.078 1.00 0.00 O ATOM 207 CB ASP A 18 -12.265 5.338 -11.661 1.00 0.00 C ATOM 208 CG ASP A 18 -13.264 6.435 -11.285 1.00 0.00 C ATOM 209 OD1 ASP A 18 -12.986 7.166 -10.350 1.00 0.00 O ATOM 210 OD2 ASP A 18 -14.289 6.525 -11.940 1.00 0.00 O ATOM 0 H ASP A 18 -11.171 3.221 -11.962 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.429 5.042 -9.663 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.346 5.783 -12.043 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.674 4.717 -12.458 1.00 0.00 H new ATOM 215 N ALA A 19 -13.596 2.740 -9.997 1.00 0.00 N ATOM 216 CA ALA A 19 -14.827 2.198 -9.362 1.00 0.00 C ATOM 217 C ALA A 19 -14.409 1.562 -8.048 1.00 0.00 C ATOM 218 O ALA A 19 -15.133 1.559 -7.071 1.00 0.00 O ATOM 219 CB ALA A 19 -15.370 1.150 -10.329 1.00 0.00 C ATOM 0 H ALA A 19 -13.078 2.081 -10.579 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.588 2.953 -9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.279 0.712 -9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.594 1.620 -11.286 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.624 0.368 -10.475 1.00 0.00 H new ATOM 225 N ILE A 20 -13.214 1.055 -8.027 1.00 0.00 N ATOM 226 CA ILE A 20 -12.670 0.444 -6.800 1.00 0.00 C ATOM 227 C ILE A 20 -12.149 1.571 -5.912 1.00 0.00 C ATOM 228 O ILE A 20 -12.210 1.511 -4.700 1.00 0.00 O ATOM 229 CB ILE A 20 -11.537 -0.446 -7.310 1.00 0.00 C ATOM 230 CG1 ILE A 20 -12.126 -1.722 -7.919 1.00 0.00 C ATOM 231 CG2 ILE A 20 -10.604 -0.818 -6.165 1.00 0.00 C ATOM 232 CD1 ILE A 20 -11.115 -2.340 -8.886 1.00 0.00 C ATOM 0 H ILE A 20 -12.582 1.040 -8.827 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.387 -0.129 -6.213 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.972 0.099 -8.067 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.373 -2.433 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.054 -1.493 -8.444 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.801 -1.452 -6.541 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.179 0.088 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.163 -1.357 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.534 -3.248 -9.319 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.890 -1.629 -9.681 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.199 -2.584 -8.348 1.00 0.00 H new ATOM 244 N PHE A 21 -11.657 2.617 -6.523 1.00 0.00 N ATOM 245 CA PHE A 21 -11.155 3.775 -5.739 1.00 0.00 C ATOM 246 C PHE A 21 -12.353 4.516 -5.143 1.00 0.00 C ATOM 247 O PHE A 21 -12.313 5.005 -4.031 1.00 0.00 O ATOM 248 CB PHE A 21 -10.401 4.642 -6.761 1.00 0.00 C ATOM 249 CG PHE A 21 -10.559 6.111 -6.433 1.00 0.00 C ATOM 250 CD1 PHE A 21 -11.711 6.794 -6.840 1.00 0.00 C ATOM 251 CD2 PHE A 21 -9.556 6.787 -5.728 1.00 0.00 C ATOM 252 CE1 PHE A 21 -11.861 8.153 -6.541 1.00 0.00 C ATOM 253 CE2 PHE A 21 -9.707 8.146 -5.428 1.00 0.00 C ATOM 254 CZ PHE A 21 -10.860 8.829 -5.836 1.00 0.00 C ATOM 0 H PHE A 21 -11.583 2.716 -7.535 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.504 3.497 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.344 4.376 -6.762 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.781 4.445 -7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.484 6.272 -7.385 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.666 6.260 -5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.750 8.680 -6.855 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.935 8.668 -4.882 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.976 9.878 -5.606 1.00 0.00 H new ATOM 264 N ASP A 22 -13.422 4.588 -5.884 1.00 0.00 N ATOM 265 CA ASP A 22 -14.638 5.281 -5.381 1.00 0.00 C ATOM 266 C ASP A 22 -15.524 4.290 -4.622 1.00 0.00 C ATOM 267 O ASP A 22 -16.580 4.636 -4.130 1.00 0.00 O ATOM 268 CB ASP A 22 -15.346 5.797 -6.633 1.00 0.00 C ATOM 269 CG ASP A 22 -16.783 6.180 -6.281 1.00 0.00 C ATOM 270 OD1 ASP A 22 -16.955 7.013 -5.406 1.00 0.00 O ATOM 271 OD2 ASP A 22 -17.689 5.633 -6.889 1.00 0.00 O ATOM 0 H ASP A 22 -13.506 4.194 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.404 6.091 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.816 6.660 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.341 5.031 -7.409 1.00 0.00 H new ATOM 276 N SER A 23 -15.093 3.060 -4.508 1.00 0.00 N ATOM 277 CA SER A 23 -15.897 2.052 -3.762 1.00 0.00 C ATOM 278 C SER A 23 -15.502 2.091 -2.285 1.00 0.00 C ATOM 279 O SER A 23 -16.121 1.478 -1.439 1.00 0.00 O ATOM 280 CB SER A 23 -15.524 0.706 -4.386 1.00 0.00 C ATOM 281 OG SER A 23 -15.406 -0.271 -3.361 1.00 0.00 O ATOM 0 H SER A 23 -14.218 2.712 -4.900 1.00 0.00 H new ATOM 0 HA SER A 23 -16.970 2.235 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 23 -16.284 0.403 -5.107 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.584 0.793 -4.931 1.00 0.00 H new ATOM 0 HG SER A 23 -15.168 -1.135 -3.758 1.00 0.00 H new ATOM 287 N LEU A 24 -14.469 2.828 -1.981 1.00 0.00 N ATOM 288 CA LEU A 24 -13.999 2.948 -0.572 1.00 0.00 C ATOM 289 C LEU A 24 -14.350 4.339 -0.047 1.00 0.00 C ATOM 290 O LEU A 24 -14.156 4.647 1.111 1.00 0.00 O ATOM 291 CB LEU A 24 -12.472 2.797 -0.626 1.00 0.00 C ATOM 292 CG LEU A 24 -12.052 1.917 -1.804 1.00 0.00 C ATOM 293 CD1 LEU A 24 -10.530 1.943 -1.944 1.00 0.00 C ATOM 294 CD2 LEU A 24 -12.508 0.484 -1.553 1.00 0.00 C ATOM 0 H LEU A 24 -13.923 3.360 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.457 2.202 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.008 3.779 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.113 2.360 0.306 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.510 2.294 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.231 1.316 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.198 2.966 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.074 1.566 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.210 -0.145 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.048 0.111 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.593 0.460 -1.450 1.00 0.00 H new ATOM 306 N SER A 25 -14.838 5.184 -0.919 1.00 0.00 N ATOM 307 CA SER A 25 -15.192 6.585 -0.533 1.00 0.00 C ATOM 308 C SER A 25 -13.919 7.431 -0.491 1.00 0.00 C ATOM 309 O SER A 25 -13.197 7.440 0.486 1.00 0.00 O ATOM 310 CB SER A 25 -15.865 6.499 0.845 1.00 0.00 C ATOM 311 OG SER A 25 -15.012 7.062 1.833 1.00 0.00 O ATOM 0 H SER A 25 -15.009 4.959 -1.899 1.00 0.00 H new ATOM 0 HA SER A 25 -15.868 7.056 -1.247 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.817 7.029 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.083 5.459 1.089 1.00 0.00 H new ATOM 0 HG SER A 25 -14.077 6.902 1.587 1.00 0.00 H new ATOM 317 N PRO A 26 -13.681 8.101 -1.583 1.00 0.00 N ATOM 318 CA PRO A 26 -12.479 8.952 -1.713 1.00 0.00 C ATOM 319 C PRO A 26 -12.649 10.246 -0.927 1.00 0.00 C ATOM 320 O PRO A 26 -13.744 10.734 -0.727 1.00 0.00 O ATOM 321 CB PRO A 26 -12.398 9.233 -3.209 1.00 0.00 C ATOM 322 CG PRO A 26 -13.798 9.086 -3.712 1.00 0.00 C ATOM 323 CD PRO A 26 -14.510 8.126 -2.791 1.00 0.00 C ATOM 0 HA PRO A 26 -11.578 8.478 -1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.014 10.235 -3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.726 8.533 -3.705 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.304 10.051 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.801 8.710 -4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.523 8.463 -2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.593 7.135 -3.237 1.00 0.00 H new ATOM 331 N VAL A 27 -11.565 10.807 -0.486 1.00 0.00 N ATOM 332 CA VAL A 27 -11.635 12.075 0.281 1.00 0.00 C ATOM 333 C VAL A 27 -10.875 13.158 -0.481 1.00 0.00 C ATOM 334 O VAL A 27 -9.680 13.068 -0.673 1.00 0.00 O ATOM 335 CB VAL A 27 -10.957 11.761 1.615 1.00 0.00 C ATOM 336 CG1 VAL A 27 -11.117 12.949 2.564 1.00 0.00 C ATOM 337 CG2 VAL A 27 -11.611 10.520 2.230 1.00 0.00 C ATOM 0 H VAL A 27 -10.624 10.438 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.653 12.436 0.429 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.896 11.574 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.633 12.723 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.655 13.832 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.177 13.140 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.132 10.290 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.671 10.711 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.495 9.674 1.552 1.00 0.00 H new ATOM 347 N ASN A 28 -11.560 14.168 -0.942 1.00 0.00 N ATOM 348 CA ASN A 28 -10.866 15.235 -1.714 1.00 0.00 C ATOM 349 C ASN A 28 -10.162 14.607 -2.921 1.00 0.00 C ATOM 350 O ASN A 28 -9.273 15.190 -3.509 1.00 0.00 O ATOM 351 CB ASN A 28 -9.853 15.836 -0.737 1.00 0.00 C ATOM 352 CG ASN A 28 -9.021 16.901 -1.454 1.00 0.00 C ATOM 353 OD1 ASN A 28 -9.510 17.971 -1.755 1.00 0.00 O ATOM 354 ND2 ASN A 28 -7.771 16.651 -1.738 1.00 0.00 N ATOM 0 H ASN A 28 -12.564 14.300 -0.818 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.546 15.996 -2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.371 16.277 0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.202 15.054 -0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.205 17.355 -2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.360 15.752 -1.485 1.00 0.00 H new ATOM 361 N GLY A 29 -10.560 13.417 -3.288 1.00 0.00 N ATOM 362 CA GLY A 29 -9.924 12.735 -4.451 1.00 0.00 C ATOM 363 C GLY A 29 -8.771 11.859 -3.955 1.00 0.00 C ATOM 364 O GLY A 29 -7.736 11.765 -4.585 1.00 0.00 O ATOM 0 H GLY A 29 -11.301 12.887 -2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.659 12.125 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.555 13.473 -5.163 1.00 0.00 H new ATOM 368 N PHE A 30 -8.935 11.225 -2.826 1.00 0.00 N ATOM 369 CA PHE A 30 -7.838 10.368 -2.293 1.00 0.00 C ATOM 370 C PHE A 30 -8.374 9.212 -1.461 1.00 0.00 C ATOM 371 O PHE A 30 -9.370 9.324 -0.773 1.00 0.00 O ATOM 372 CB PHE A 30 -7.013 11.292 -1.404 1.00 0.00 C ATOM 373 CG PHE A 30 -6.296 12.278 -2.275 1.00 0.00 C ATOM 374 CD1 PHE A 30 -5.090 11.921 -2.879 1.00 0.00 C ATOM 375 CD2 PHE A 30 -6.843 13.545 -2.484 1.00 0.00 C ATOM 376 CE1 PHE A 30 -4.422 12.840 -3.698 1.00 0.00 C ATOM 377 CE2 PHE A 30 -6.182 14.464 -3.299 1.00 0.00 C ATOM 378 CZ PHE A 30 -4.969 14.114 -3.907 1.00 0.00 C ATOM 0 H PHE A 30 -9.777 11.263 -2.252 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.262 9.925 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.659 11.812 -0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.298 10.714 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.673 10.938 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.778 13.814 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.488 12.568 -4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.605 15.444 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.455 14.826 -4.537 1.00 0.00 H new ATOM 388 N LEU A 31 -7.678 8.115 -1.485 1.00 0.00 N ATOM 389 CA LEU A 31 -8.089 6.950 -0.658 1.00 0.00 C ATOM 390 C LEU A 31 -7.027 6.739 0.403 1.00 0.00 C ATOM 391 O LEU A 31 -5.852 6.771 0.120 1.00 0.00 O ATOM 392 CB LEU A 31 -8.122 5.736 -1.581 1.00 0.00 C ATOM 393 CG LEU A 31 -9.432 5.685 -2.357 1.00 0.00 C ATOM 394 CD1 LEU A 31 -9.525 4.325 -3.039 1.00 0.00 C ATOM 395 CD2 LEU A 31 -10.614 5.845 -1.401 1.00 0.00 C ATOM 0 H LEU A 31 -6.837 7.973 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.061 7.104 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.283 5.778 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.005 4.824 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.459 6.490 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.456 4.263 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.681 4.200 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.504 3.538 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.546 5.807 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.601 5.039 -0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.539 6.804 -0.887 1.00 0.00 H new ATOM 407 N SER A 32 -7.413 6.525 1.612 1.00 0.00 N ATOM 408 CA SER A 32 -6.389 6.316 2.664 1.00 0.00 C ATOM 409 C SER A 32 -5.934 4.868 2.661 1.00 0.00 C ATOM 410 O SER A 32 -6.694 3.972 2.365 1.00 0.00 O ATOM 411 CB SER A 32 -7.084 6.668 3.978 1.00 0.00 C ATOM 412 OG SER A 32 -7.937 5.596 4.359 1.00 0.00 O ATOM 0 H SER A 32 -8.383 6.484 1.924 1.00 0.00 H new ATOM 0 HA SER A 32 -5.501 6.928 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.344 6.853 4.756 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.662 7.585 3.863 1.00 0.00 H new ATOM 0 HG SER A 32 -8.606 5.921 4.997 1.00 0.00 H new ATOM 418 N GLY A 33 -4.697 4.629 2.990 1.00 0.00 N ATOM 419 CA GLY A 33 -4.200 3.226 3.016 1.00 0.00 C ATOM 420 C GLY A 33 -5.245 2.360 3.718 1.00 0.00 C ATOM 421 O GLY A 33 -5.358 1.177 3.476 1.00 0.00 O ATOM 0 H GLY A 33 -4.011 5.341 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.027 2.866 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.246 3.171 3.541 1.00 0.00 H new ATOM 425 N ASP A 34 -6.019 2.959 4.581 1.00 0.00 N ATOM 426 CA ASP A 34 -7.073 2.195 5.301 1.00 0.00 C ATOM 427 C ASP A 34 -8.119 1.683 4.307 1.00 0.00 C ATOM 428 O ASP A 34 -8.793 0.702 4.553 1.00 0.00 O ATOM 429 CB ASP A 34 -7.697 3.198 6.270 1.00 0.00 C ATOM 430 CG ASP A 34 -8.523 2.452 7.320 1.00 0.00 C ATOM 431 OD1 ASP A 34 -7.931 1.735 8.110 1.00 0.00 O ATOM 432 OD2 ASP A 34 -9.732 2.607 7.314 1.00 0.00 O ATOM 0 H ASP A 34 -5.965 3.950 4.818 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.674 1.324 5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.916 3.784 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.330 3.899 5.726 1.00 0.00 H new ATOM 437 N LYS A 35 -8.248 2.327 3.176 1.00 0.00 N ATOM 438 CA LYS A 35 -9.228 1.864 2.167 1.00 0.00 C ATOM 439 C LYS A 35 -8.486 1.047 1.119 1.00 0.00 C ATOM 440 O LYS A 35 -9.008 0.107 0.556 1.00 0.00 O ATOM 441 CB LYS A 35 -9.803 3.144 1.559 1.00 0.00 C ATOM 442 CG LYS A 35 -10.651 3.865 2.608 1.00 0.00 C ATOM 443 CD LYS A 35 -11.282 5.115 1.989 1.00 0.00 C ATOM 444 CE LYS A 35 -11.977 5.930 3.081 1.00 0.00 C ATOM 445 NZ LYS A 35 -11.546 7.337 2.849 1.00 0.00 N ATOM 0 H LYS A 35 -7.713 3.155 2.913 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.018 1.238 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.996 3.793 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.410 2.905 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.429 3.199 2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.033 4.142 3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.516 5.719 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.000 4.830 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.061 5.834 3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.686 5.587 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.842 7.928 3.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.511 7.372 2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.984 7.695 1.976 1.00 0.00 H new ATOM 459 N VAL A 36 -7.255 1.399 0.870 1.00 0.00 N ATOM 460 CA VAL A 36 -6.456 0.639 -0.127 1.00 0.00 C ATOM 461 C VAL A 36 -5.851 -0.608 0.526 1.00 0.00 C ATOM 462 O VAL A 36 -5.898 -1.692 -0.020 1.00 0.00 O ATOM 463 CB VAL A 36 -5.348 1.590 -0.560 1.00 0.00 C ATOM 464 CG1 VAL A 36 -4.400 0.857 -1.509 1.00 0.00 C ATOM 465 CG2 VAL A 36 -5.963 2.798 -1.270 1.00 0.00 C ATOM 0 H VAL A 36 -6.770 2.179 1.314 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.062 0.305 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.793 1.933 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.604 1.533 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.966 -0.002 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.953 0.517 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.171 3.480 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.517 2.462 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.640 3.314 -0.589 1.00 0.00 H new ATOM 475 N LYS A 37 -5.276 -0.459 1.691 1.00 0.00 N ATOM 476 CA LYS A 37 -4.661 -1.631 2.377 1.00 0.00 C ATOM 477 C LYS A 37 -5.551 -2.873 2.231 1.00 0.00 C ATOM 478 O LYS A 37 -5.076 -3.917 1.832 1.00 0.00 O ATOM 479 CB LYS A 37 -4.517 -1.221 3.845 1.00 0.00 C ATOM 480 CG LYS A 37 -3.852 -2.354 4.630 1.00 0.00 C ATOM 481 CD LYS A 37 -4.209 -2.228 6.113 1.00 0.00 C ATOM 482 CE LYS A 37 -3.688 -3.452 6.871 1.00 0.00 C ATOM 483 NZ LYS A 37 -3.515 -2.988 8.276 1.00 0.00 N ATOM 0 H LYS A 37 -5.206 0.424 2.196 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.696 -1.894 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.921 -0.312 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.496 -0.997 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.183 -3.319 4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.770 -2.314 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.773 -1.319 6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.289 -2.146 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.392 -4.282 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.745 -3.804 6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.160 -3.772 8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.834 -2.202 8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.430 -2.665 8.650 1.00 0.00 H new ATOM 497 N PRO A 38 -6.817 -2.731 2.538 1.00 0.00 N ATOM 498 CA PRO A 38 -7.746 -3.880 2.402 1.00 0.00 C ATOM 499 C PRO A 38 -7.945 -4.194 0.920 1.00 0.00 C ATOM 500 O PRO A 38 -8.067 -5.334 0.520 1.00 0.00 O ATOM 501 CB PRO A 38 -9.039 -3.379 3.040 1.00 0.00 C ATOM 502 CG PRO A 38 -8.963 -1.891 2.929 1.00 0.00 C ATOM 503 CD PRO A 38 -7.507 -1.526 3.026 1.00 0.00 C ATOM 0 HA PRO A 38 -7.387 -4.796 2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.914 -3.771 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.116 -3.695 4.080 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.385 -1.551 1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.536 -1.414 3.724 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.271 -0.654 2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.221 -1.287 4.050 1.00 0.00 H new ATOM 511 N VAL A 39 -7.959 -3.177 0.104 1.00 0.00 N ATOM 512 CA VAL A 39 -8.128 -3.383 -1.363 1.00 0.00 C ATOM 513 C VAL A 39 -6.954 -4.203 -1.903 1.00 0.00 C ATOM 514 O VAL A 39 -7.108 -5.029 -2.781 1.00 0.00 O ATOM 515 CB VAL A 39 -8.123 -1.965 -1.945 1.00 0.00 C ATOM 516 CG1 VAL A 39 -7.597 -1.970 -3.383 1.00 0.00 C ATOM 517 CG2 VAL A 39 -9.546 -1.405 -1.931 1.00 0.00 C ATOM 0 H VAL A 39 -7.860 -2.204 0.392 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.037 -3.926 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.469 -1.342 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.602 -0.953 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.579 -2.359 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.235 -2.601 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.544 -0.397 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.194 -2.043 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.916 -1.376 -0.906 1.00 0.00 H new ATOM 527 N LEU A 40 -5.782 -3.981 -1.378 1.00 0.00 N ATOM 528 CA LEU A 40 -4.595 -4.742 -1.852 1.00 0.00 C ATOM 529 C LEU A 40 -4.534 -6.091 -1.143 1.00 0.00 C ATOM 530 O LEU A 40 -3.929 -7.031 -1.621 1.00 0.00 O ATOM 531 CB LEU A 40 -3.399 -3.874 -1.469 1.00 0.00 C ATOM 532 CG LEU A 40 -3.629 -2.453 -1.972 1.00 0.00 C ATOM 533 CD1 LEU A 40 -2.496 -1.550 -1.482 1.00 0.00 C ATOM 534 CD2 LEU A 40 -3.658 -2.462 -3.501 1.00 0.00 C ATOM 0 H LEU A 40 -5.595 -3.303 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.621 -4.945 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.267 -3.873 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.485 -4.282 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.578 -2.075 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.659 -0.534 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.475 -1.551 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.544 -1.921 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.822 -1.449 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.707 -2.836 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.465 -3.108 -3.846 1.00 0.00 H new ATOM 546 N LEU A 41 -5.173 -6.196 -0.014 1.00 0.00 N ATOM 547 CA LEU A 41 -5.172 -7.484 0.723 1.00 0.00 C ATOM 548 C LEU A 41 -6.179 -8.432 0.083 1.00 0.00 C ATOM 549 O LEU A 41 -6.198 -9.615 0.355 1.00 0.00 O ATOM 550 CB LEU A 41 -5.610 -7.130 2.140 1.00 0.00 C ATOM 551 CG LEU A 41 -4.454 -6.472 2.885 1.00 0.00 C ATOM 552 CD1 LEU A 41 -5.000 -5.732 4.105 1.00 0.00 C ATOM 553 CD2 LEU A 41 -3.468 -7.550 3.338 1.00 0.00 C ATOM 0 H LEU A 41 -5.697 -5.442 0.430 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.199 -7.974 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.466 -6.456 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.931 -8.028 2.667 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.944 -5.766 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.178 -5.259 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.708 -4.969 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.505 -6.439 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.639 -7.084 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.976 -8.253 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.085 -8.082 2.467 1.00 0.00 H new ATOM 565 N ASN A 42 -7.020 -7.913 -0.764 1.00 0.00 N ATOM 566 CA ASN A 42 -8.032 -8.778 -1.420 1.00 0.00 C ATOM 567 C ASN A 42 -7.470 -9.346 -2.725 1.00 0.00 C ATOM 568 O ASN A 42 -8.106 -10.136 -3.394 1.00 0.00 O ATOM 569 CB ASN A 42 -9.221 -7.854 -1.697 1.00 0.00 C ATOM 570 CG ASN A 42 -10.126 -8.478 -2.762 1.00 0.00 C ATOM 571 OD1 ASN A 42 -10.353 -9.672 -2.759 1.00 0.00 O ATOM 572 ND2 ASN A 42 -10.654 -7.716 -3.681 1.00 0.00 N ATOM 0 H ASN A 42 -7.049 -6.929 -1.029 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.317 -9.629 -0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.785 -7.687 -0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.866 -6.880 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.257 -8.123 -4.396 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.464 -6.714 -3.684 1.00 0.00 H new ATOM 579 N SER A 43 -6.283 -8.949 -3.092 1.00 0.00 N ATOM 580 CA SER A 43 -5.682 -9.466 -4.353 1.00 0.00 C ATOM 581 C SER A 43 -4.961 -10.790 -4.089 1.00 0.00 C ATOM 582 O SER A 43 -4.151 -11.234 -4.877 1.00 0.00 O ATOM 583 CB SER A 43 -4.686 -8.393 -4.788 1.00 0.00 C ATOM 584 OG SER A 43 -3.663 -8.278 -3.808 1.00 0.00 O ATOM 0 H SER A 43 -5.703 -8.289 -2.573 1.00 0.00 H new ATOM 0 HA SER A 43 -6.433 -9.659 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.253 -8.653 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.195 -7.437 -4.913 1.00 0.00 H new ATOM 0 HG SER A 43 -3.911 -7.591 -3.155 1.00 0.00 H new ATOM 590 N LYS A 44 -5.245 -11.420 -2.983 1.00 0.00 N ATOM 591 CA LYS A 44 -4.570 -12.710 -2.670 1.00 0.00 C ATOM 592 C LYS A 44 -3.057 -12.493 -2.582 1.00 0.00 C ATOM 593 O LYS A 44 -2.279 -13.425 -2.627 1.00 0.00 O ATOM 594 CB LYS A 44 -4.915 -13.627 -3.844 1.00 0.00 C ATOM 595 CG LYS A 44 -4.777 -15.089 -3.411 1.00 0.00 C ATOM 596 CD LYS A 44 -4.113 -15.893 -4.532 1.00 0.00 C ATOM 597 CE LYS A 44 -2.848 -16.567 -3.995 1.00 0.00 C ATOM 598 NZ LYS A 44 -2.128 -17.051 -5.205 1.00 0.00 N ATOM 0 H LYS A 44 -5.914 -11.098 -2.284 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.890 -13.132 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.932 -13.432 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.253 -13.422 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.182 -15.155 -2.500 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.758 -15.506 -3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.804 -16.644 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.863 -15.237 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.238 -15.865 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.094 -17.391 -3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.248 -17.526 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.731 -17.722 -5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.901 -16.244 -5.820 1.00 0.00 H new ATOM 612 N LEU A 45 -2.637 -11.264 -2.460 1.00 0.00 N ATOM 613 CA LEU A 45 -1.178 -10.975 -2.374 1.00 0.00 C ATOM 614 C LEU A 45 -0.759 -10.737 -0.926 1.00 0.00 C ATOM 615 O LEU A 45 -1.546 -10.293 -0.113 1.00 0.00 O ATOM 616 CB LEU A 45 -0.981 -9.700 -3.189 1.00 0.00 C ATOM 617 CG LEU A 45 -0.792 -10.054 -4.661 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.739 -8.766 -5.482 1.00 0.00 C ATOM 619 CD2 LEU A 45 0.518 -10.830 -4.830 1.00 0.00 C ATOM 0 H LEU A 45 -3.243 -10.445 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.578 -11.806 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.844 -9.044 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.112 -9.153 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.623 -10.670 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.604 -9.011 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.670 -8.215 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.095 -8.152 -5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.657 -11.085 -5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.352 -10.214 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.479 -11.744 -4.237 1.00 0.00 H new ATOM 631 N PRO A 46 0.482 -11.028 -0.658 1.00 0.00 N ATOM 632 CA PRO A 46 1.029 -10.832 0.698 1.00 0.00 C ATOM 633 C PRO A 46 1.305 -9.344 0.947 1.00 0.00 C ATOM 634 O PRO A 46 1.274 -8.537 0.041 1.00 0.00 O ATOM 635 CB PRO A 46 2.317 -11.649 0.685 1.00 0.00 C ATOM 636 CG PRO A 46 2.724 -11.735 -0.750 1.00 0.00 C ATOM 637 CD PRO A 46 1.480 -11.566 -1.585 1.00 0.00 C ATOM 0 HA PRO A 46 0.351 -11.145 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.091 -11.170 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.156 -12.641 1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.454 -10.961 -0.989 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.197 -12.695 -0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.652 -10.887 -2.420 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.155 -12.516 -2.009 1.00 0.00 H new ATOM 645 N VAL A 47 1.577 -8.982 2.170 1.00 0.00 N ATOM 646 CA VAL A 47 1.855 -7.563 2.508 1.00 0.00 C ATOM 647 C VAL A 47 3.189 -7.139 1.893 1.00 0.00 C ATOM 648 O VAL A 47 3.569 -5.986 1.932 1.00 0.00 O ATOM 649 CB VAL A 47 1.908 -7.571 4.043 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.650 -6.344 4.577 1.00 0.00 C ATOM 651 CG2 VAL A 47 0.483 -7.572 4.596 1.00 0.00 C ATOM 0 H VAL A 47 1.618 -9.624 2.962 1.00 0.00 H new ATOM 0 HA VAL A 47 1.114 -6.860 2.128 1.00 0.00 H new ATOM 0 HB VAL A 47 2.442 -8.465 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.671 -6.377 5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.670 -6.341 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.137 -5.439 4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.516 -7.578 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.041 -6.680 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.043 -8.459 4.244 1.00 0.00 H new ATOM 661 N ASP A 48 3.897 -8.065 1.306 1.00 0.00 N ATOM 662 CA ASP A 48 5.192 -7.716 0.682 1.00 0.00 C ATOM 663 C ASP A 48 4.944 -7.094 -0.689 1.00 0.00 C ATOM 664 O ASP A 48 5.663 -6.215 -1.125 1.00 0.00 O ATOM 665 CB ASP A 48 5.943 -9.037 0.561 1.00 0.00 C ATOM 666 CG ASP A 48 6.746 -9.288 1.840 1.00 0.00 C ATOM 667 OD1 ASP A 48 7.861 -8.797 1.922 1.00 0.00 O ATOM 668 OD2 ASP A 48 6.236 -9.969 2.713 1.00 0.00 O ATOM 0 H ASP A 48 3.630 -9.047 1.235 1.00 0.00 H new ATOM 0 HA ASP A 48 5.761 -6.990 1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.240 -9.853 0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.610 -9.010 -0.300 1.00 0.00 H new ATOM 673 N ILE A 49 3.913 -7.522 -1.364 1.00 0.00 N ATOM 674 CA ILE A 49 3.609 -6.927 -2.693 1.00 0.00 C ATOM 675 C ILE A 49 2.838 -5.633 -2.475 1.00 0.00 C ATOM 676 O ILE A 49 3.072 -4.632 -3.121 1.00 0.00 O ATOM 677 CB ILE A 49 2.722 -7.932 -3.430 1.00 0.00 C ATOM 678 CG1 ILE A 49 3.201 -9.358 -3.164 1.00 0.00 C ATOM 679 CG2 ILE A 49 2.787 -7.650 -4.930 1.00 0.00 C ATOM 680 CD1 ILE A 49 4.673 -9.483 -3.534 1.00 0.00 C ATOM 0 H ILE A 49 3.273 -8.253 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 49 4.514 -6.715 -3.262 1.00 0.00 H new ATOM 0 HB ILE A 49 1.697 -7.831 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.058 -9.610 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.609 -10.065 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.157 -8.363 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.434 -6.637 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.816 -7.748 -5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.011 -10.501 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.804 -9.250 -4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.259 -8.787 -2.934 1.00 0.00 H new ATOM 692 N LEU A 50 1.923 -5.657 -1.552 1.00 0.00 N ATOM 693 CA LEU A 50 1.130 -4.439 -1.261 1.00 0.00 C ATOM 694 C LEU A 50 2.041 -3.390 -0.635 1.00 0.00 C ATOM 695 O LEU A 50 1.827 -2.202 -0.773 1.00 0.00 O ATOM 696 CB LEU A 50 0.066 -4.880 -0.261 1.00 0.00 C ATOM 697 CG LEU A 50 -0.599 -6.177 -0.734 1.00 0.00 C ATOM 698 CD1 LEU A 50 -1.825 -6.469 0.135 1.00 0.00 C ATOM 699 CD2 LEU A 50 -1.026 -6.035 -2.197 1.00 0.00 C ATOM 0 H LEU A 50 1.690 -6.472 -0.985 1.00 0.00 H new ATOM 0 HA LEU A 50 0.683 -4.005 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.518 -5.031 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.685 -4.098 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 50 0.111 -7.000 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.298 -7.392 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.516 -6.578 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.535 -5.646 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.498 -6.959 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.734 -5.211 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.150 -5.833 -2.814 1.00 0.00 H new ATOM 711 N GLY A 51 3.071 -3.821 0.040 1.00 0.00 N ATOM 712 CA GLY A 51 4.002 -2.841 0.654 1.00 0.00 C ATOM 713 C GLY A 51 4.774 -2.168 -0.468 1.00 0.00 C ATOM 714 O GLY A 51 5.254 -1.060 -0.341 1.00 0.00 O ATOM 0 H GLY A 51 3.305 -4.802 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.450 -2.102 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.685 -3.341 1.341 1.00 0.00 H new ATOM 718 N ARG A 52 4.882 -2.840 -1.574 1.00 0.00 N ATOM 719 CA ARG A 52 5.605 -2.267 -2.732 1.00 0.00 C ATOM 720 C ARG A 52 4.616 -1.731 -3.760 1.00 0.00 C ATOM 721 O ARG A 52 4.893 -0.772 -4.455 1.00 0.00 O ATOM 722 CB ARG A 52 6.388 -3.432 -3.319 1.00 0.00 C ATOM 723 CG ARG A 52 7.790 -2.963 -3.692 1.00 0.00 C ATOM 724 CD ARG A 52 8.593 -4.140 -4.242 1.00 0.00 C ATOM 725 NE ARG A 52 9.285 -4.716 -3.058 1.00 0.00 N ATOM 726 CZ ARG A 52 9.538 -5.994 -3.006 1.00 0.00 C ATOM 727 NH1 ARG A 52 10.600 -6.473 -3.593 1.00 0.00 N ATOM 728 NH2 ARG A 52 8.729 -6.794 -2.364 1.00 0.00 N ATOM 0 H ARG A 52 4.496 -3.772 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 52 6.250 -1.437 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.445 -4.247 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.877 -3.821 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.733 -2.169 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.290 -2.545 -2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.943 -4.875 -4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.308 -3.813 -4.997 1.00 0.00 H new ATOM 0 HE ARG A 52 9.562 -4.110 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.232 -5.848 -4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.798 -7.473 -3.552 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.900 -6.419 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.927 -7.794 -2.323 1.00 0.00 H new ATOM 742 N VAL A 53 3.462 -2.332 -3.873 1.00 0.00 N ATOM 743 CA VAL A 53 2.487 -1.823 -4.870 1.00 0.00 C ATOM 744 C VAL A 53 1.972 -0.466 -4.409 1.00 0.00 C ATOM 745 O VAL A 53 1.766 0.429 -5.200 1.00 0.00 O ATOM 746 CB VAL A 53 1.363 -2.858 -4.922 1.00 0.00 C ATOM 747 CG1 VAL A 53 0.131 -2.250 -5.597 1.00 0.00 C ATOM 748 CG2 VAL A 53 1.831 -4.069 -5.733 1.00 0.00 C ATOM 0 H VAL A 53 3.159 -3.139 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 53 2.925 -1.688 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 53 1.107 -3.165 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.668 -2.991 -5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.204 -1.382 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.386 -1.943 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.033 -4.810 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.084 -3.753 -6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.709 -4.507 -5.259 1.00 0.00 H new ATOM 758 N TRP A 54 1.781 -0.297 -3.132 1.00 0.00 N ATOM 759 CA TRP A 54 1.300 1.015 -2.640 1.00 0.00 C ATOM 760 C TRP A 54 2.384 2.075 -2.849 1.00 0.00 C ATOM 761 O TRP A 54 2.135 3.130 -3.392 1.00 0.00 O ATOM 762 CB TRP A 54 1.034 0.839 -1.140 1.00 0.00 C ATOM 763 CG TRP A 54 1.014 2.194 -0.509 1.00 0.00 C ATOM 764 CD1 TRP A 54 2.117 2.922 -0.230 1.00 0.00 C ATOM 765 CD2 TRP A 54 -0.125 3.005 -0.108 1.00 0.00 C ATOM 766 NE1 TRP A 54 1.733 4.134 0.294 1.00 0.00 N ATOM 767 CE2 TRP A 54 0.357 4.232 0.403 1.00 0.00 C ATOM 768 CE3 TRP A 54 -1.514 2.799 -0.139 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -0.511 5.221 0.867 1.00 0.00 C ATOM 770 CZ3 TRP A 54 -2.391 3.793 0.330 1.00 0.00 C ATOM 771 CH2 TRP A 54 -1.890 4.996 0.829 1.00 0.00 C ATOM 0 H TRP A 54 1.936 -1.006 -2.415 1.00 0.00 H new ATOM 0 HA TRP A 54 0.404 1.336 -3.171 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.083 0.330 -0.979 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.808 0.219 -0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.136 2.604 -0.392 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.383 4.871 0.569 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.911 1.872 -0.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.121 6.152 1.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.457 3.625 0.304 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.570 5.755 1.187 1.00 0.00 H new ATOM 782 N GLU A 55 3.580 1.812 -2.393 1.00 0.00 N ATOM 783 CA GLU A 55 4.659 2.829 -2.539 1.00 0.00 C ATOM 784 C GLU A 55 4.741 3.304 -3.985 1.00 0.00 C ATOM 785 O GLU A 55 4.550 4.467 -4.277 1.00 0.00 O ATOM 786 CB GLU A 55 5.936 2.120 -2.116 1.00 0.00 C ATOM 787 CG GLU A 55 5.968 1.986 -0.594 1.00 0.00 C ATOM 788 CD GLU A 55 7.402 2.177 -0.098 1.00 0.00 C ATOM 789 OE1 GLU A 55 8.206 2.695 -0.856 1.00 0.00 O ATOM 790 OE2 GLU A 55 7.673 1.804 1.031 1.00 0.00 O ATOM 0 H GLU A 55 3.854 0.945 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 55 4.479 3.716 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.987 1.135 -2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.806 2.680 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.312 2.728 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.596 1.006 -0.296 1.00 0.00 H new ATOM 797 N LEU A 56 4.996 2.414 -4.897 1.00 0.00 N ATOM 798 CA LEU A 56 5.055 2.831 -6.325 1.00 0.00 C ATOM 799 C LEU A 56 3.679 3.374 -6.735 1.00 0.00 C ATOM 800 O LEU A 56 3.526 4.004 -7.762 1.00 0.00 O ATOM 801 CB LEU A 56 5.413 1.564 -7.107 1.00 0.00 C ATOM 802 CG LEU A 56 6.728 0.985 -6.569 1.00 0.00 C ATOM 803 CD1 LEU A 56 6.633 -0.539 -6.543 1.00 0.00 C ATOM 804 CD2 LEU A 56 7.893 1.406 -7.477 1.00 0.00 C ATOM 0 H LEU A 56 5.165 1.424 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 56 5.787 3.616 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.614 0.828 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.512 1.794 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 56 6.903 1.362 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.565 -0.955 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.809 -0.841 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.457 -0.910 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.824 0.992 -7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.721 1.032 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.962 2.494 -7.500 1.00 0.00 H new ATOM 816 N SER A 57 2.679 3.139 -5.918 1.00 0.00 N ATOM 817 CA SER A 57 1.306 3.642 -6.223 1.00 0.00 C ATOM 818 C SER A 57 1.078 4.996 -5.546 1.00 0.00 C ATOM 819 O SER A 57 0.296 5.804 -6.005 1.00 0.00 O ATOM 820 CB SER A 57 0.369 2.592 -5.643 1.00 0.00 C ATOM 821 OG SER A 57 0.252 1.521 -6.567 1.00 0.00 O ATOM 0 H SER A 57 2.759 2.616 -5.046 1.00 0.00 H new ATOM 0 HA SER A 57 1.145 3.790 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.754 2.228 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.610 3.028 -5.445 1.00 0.00 H new ATOM 0 HG SER A 57 0.777 0.756 -6.250 1.00 0.00 H new ATOM 827 N ASP A 58 1.753 5.251 -4.458 1.00 0.00 N ATOM 828 CA ASP A 58 1.573 6.553 -3.755 1.00 0.00 C ATOM 829 C ASP A 58 2.369 7.648 -4.469 1.00 0.00 C ATOM 830 O ASP A 58 3.367 8.131 -3.971 1.00 0.00 O ATOM 831 CB ASP A 58 2.116 6.327 -2.343 1.00 0.00 C ATOM 832 CG ASP A 58 1.264 7.106 -1.339 1.00 0.00 C ATOM 833 OD1 ASP A 58 0.461 7.915 -1.776 1.00 0.00 O ATOM 834 OD2 ASP A 58 1.429 6.882 -0.151 1.00 0.00 O ATOM 0 H ASP A 58 2.422 4.614 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 58 0.531 6.873 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.101 5.264 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.155 6.652 -2.285 1.00 0.00 H new ATOM 839 N ILE A 59 1.936 8.040 -5.635 1.00 0.00 N ATOM 840 CA ILE A 59 2.667 9.099 -6.387 1.00 0.00 C ATOM 841 C ILE A 59 2.990 10.280 -5.464 1.00 0.00 C ATOM 842 O ILE A 59 4.007 10.929 -5.602 1.00 0.00 O ATOM 843 CB ILE A 59 1.710 9.534 -7.497 1.00 0.00 C ATOM 844 CG1 ILE A 59 1.425 8.353 -8.433 1.00 0.00 C ATOM 845 CG2 ILE A 59 2.345 10.673 -8.294 1.00 0.00 C ATOM 846 CD1 ILE A 59 2.724 7.893 -9.094 1.00 0.00 C ATOM 0 H ILE A 59 1.106 7.672 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 59 3.615 8.739 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 59 0.774 9.872 -7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.981 7.531 -7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.702 8.646 -9.195 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.665 10.986 -9.087 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.541 11.516 -7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.282 10.331 -8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.517 7.054 -9.758 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.150 8.715 -9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.433 7.582 -8.326 1.00 0.00 H new ATOM 858 N ASP A 60 2.128 10.564 -4.524 1.00 0.00 N ATOM 859 CA ASP A 60 2.385 11.704 -3.594 1.00 0.00 C ATOM 860 C ASP A 60 3.074 11.202 -2.324 1.00 0.00 C ATOM 861 O ASP A 60 3.773 11.935 -1.654 1.00 0.00 O ATOM 862 CB ASP A 60 1.002 12.268 -3.265 1.00 0.00 C ATOM 863 CG ASP A 60 0.179 12.389 -4.550 1.00 0.00 C ATOM 864 OD1 ASP A 60 0.715 12.882 -5.529 1.00 0.00 O ATOM 865 OD2 ASP A 60 -0.972 11.988 -4.531 1.00 0.00 O ATOM 0 H ASP A 60 1.258 10.057 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 60 3.038 12.458 -4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.492 11.617 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.100 13.244 -2.790 1.00 0.00 H new ATOM 870 N HIS A 61 2.883 9.957 -1.988 1.00 0.00 N ATOM 871 CA HIS A 61 3.527 9.404 -0.759 1.00 0.00 C ATOM 872 C HIS A 61 2.976 10.105 0.486 1.00 0.00 C ATOM 873 O HIS A 61 3.716 10.494 1.368 1.00 0.00 O ATOM 874 CB HIS A 61 5.022 9.700 -0.918 1.00 0.00 C ATOM 875 CG HIS A 61 5.450 9.423 -2.333 1.00 0.00 C ATOM 876 ND1 HIS A 61 5.789 8.151 -2.771 1.00 0.00 N ATOM 877 CD2 HIS A 61 5.598 10.246 -3.421 1.00 0.00 C ATOM 878 CE1 HIS A 61 6.118 8.246 -4.073 1.00 0.00 C ATOM 879 NE2 HIS A 61 6.020 9.501 -4.520 1.00 0.00 N ATOM 0 H HIS A 61 2.308 9.296 -2.511 1.00 0.00 H new ATOM 0 HA HIS A 61 3.334 8.338 -0.640 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.225 10.741 -0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.599 9.085 -0.227 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.415 11.310 -3.425 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.424 7.409 -4.683 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.213 9.840 -5.462 1.00 0.00 H new ATOM 887 N ASP A 62 1.684 10.274 0.564 1.00 0.00 N ATOM 888 CA ASP A 62 1.094 10.956 1.753 1.00 0.00 C ATOM 889 C ASP A 62 0.296 9.961 2.603 1.00 0.00 C ATOM 890 O ASP A 62 -0.274 10.316 3.615 1.00 0.00 O ATOM 891 CB ASP A 62 0.169 12.029 1.175 1.00 0.00 C ATOM 892 CG ASP A 62 -1.002 11.362 0.453 1.00 0.00 C ATOM 893 OD1 ASP A 62 -1.715 10.608 1.095 1.00 0.00 O ATOM 894 OD2 ASP A 62 -1.169 11.618 -0.728 1.00 0.00 O ATOM 0 H ASP A 62 1.013 9.971 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 62 1.859 11.380 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.202 12.672 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.721 12.665 0.483 1.00 0.00 H new ATOM 899 N GLY A 63 0.252 8.719 2.204 1.00 0.00 N ATOM 900 CA GLY A 63 -0.510 7.712 2.997 1.00 0.00 C ATOM 901 C GLY A 63 -1.909 7.543 2.399 1.00 0.00 C ATOM 902 O GLY A 63 -2.812 7.045 3.043 1.00 0.00 O ATOM 0 H GLY A 63 0.709 8.359 1.366 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.016 6.757 2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.583 8.032 4.036 1.00 0.00 H new ATOM 906 N MET A 64 -2.096 7.945 1.164 1.00 0.00 N ATOM 907 CA MET A 64 -3.437 7.807 0.506 1.00 0.00 C ATOM 908 C MET A 64 -3.258 7.587 -1.005 1.00 0.00 C ATOM 909 O MET A 64 -2.219 7.877 -1.564 1.00 0.00 O ATOM 910 CB MET A 64 -4.202 9.129 0.714 1.00 0.00 C ATOM 911 CG MET A 64 -4.245 9.555 2.188 1.00 0.00 C ATOM 912 SD MET A 64 -5.926 9.379 2.843 1.00 0.00 S ATOM 913 CE MET A 64 -6.801 10.228 1.508 1.00 0.00 C ATOM 0 H MET A 64 -1.374 8.365 0.579 1.00 0.00 H new ATOM 0 HA MET A 64 -3.976 6.962 0.935 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.730 9.915 0.125 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.220 9.019 0.341 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.554 8.945 2.770 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.916 10.590 2.285 1.00 0.00 H new ATOM 0 HE1 MET A 64 -7.727 10.655 1.894 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.172 11.025 1.110 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.032 9.517 0.715 1.00 0.00 H new ATOM 923 N LEU A 65 -4.270 7.093 -1.669 1.00 0.00 N ATOM 924 CA LEU A 65 -4.168 6.876 -3.144 1.00 0.00 C ATOM 925 C LEU A 65 -5.223 7.715 -3.877 1.00 0.00 C ATOM 926 O LEU A 65 -6.409 7.513 -3.714 1.00 0.00 O ATOM 927 CB LEU A 65 -4.445 5.387 -3.348 1.00 0.00 C ATOM 928 CG LEU A 65 -3.184 4.580 -3.043 1.00 0.00 C ATOM 929 CD1 LEU A 65 -3.421 3.112 -3.399 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.016 5.123 -3.872 1.00 0.00 C ATOM 0 H LEU A 65 -5.164 6.830 -1.254 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.194 7.170 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.259 5.067 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.766 5.204 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.947 4.664 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.522 2.535 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.252 2.724 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.658 3.029 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.117 4.547 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.253 5.039 -4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.847 6.170 -3.620 1.00 0.00 H new ATOM 942 N ASP A 66 -4.800 8.651 -4.684 1.00 0.00 N ATOM 943 CA ASP A 66 -5.782 9.494 -5.427 1.00 0.00 C ATOM 944 C ASP A 66 -6.463 8.668 -6.515 1.00 0.00 C ATOM 945 O ASP A 66 -6.050 7.567 -6.818 1.00 0.00 O ATOM 946 CB ASP A 66 -4.959 10.614 -6.053 1.00 0.00 C ATOM 947 CG ASP A 66 -5.867 11.808 -6.355 1.00 0.00 C ATOM 948 OD1 ASP A 66 -6.980 11.582 -6.799 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.433 12.927 -6.140 1.00 0.00 O ATOM 0 H ASP A 66 -3.819 8.868 -4.861 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.565 9.881 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.159 10.914 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.485 10.263 -6.970 1.00 0.00 H new ATOM 954 N ARG A 67 -7.503 9.185 -7.108 1.00 0.00 N ATOM 955 CA ARG A 67 -8.196 8.408 -8.179 1.00 0.00 C ATOM 956 C ARG A 67 -7.186 7.975 -9.247 1.00 0.00 C ATOM 957 O ARG A 67 -7.257 6.883 -9.777 1.00 0.00 O ATOM 958 CB ARG A 67 -9.252 9.351 -8.768 1.00 0.00 C ATOM 959 CG ARG A 67 -8.684 10.766 -8.905 1.00 0.00 C ATOM 960 CD ARG A 67 -9.251 11.417 -10.171 1.00 0.00 C ATOM 961 NE ARG A 67 -8.793 12.834 -10.119 1.00 0.00 N ATOM 962 CZ ARG A 67 -9.429 13.752 -10.798 1.00 0.00 C ATOM 963 NH1 ARG A 67 -10.580 14.198 -10.374 1.00 0.00 N ATOM 964 NH2 ARG A 67 -8.914 14.223 -11.900 1.00 0.00 N ATOM 0 H ARG A 67 -7.901 10.101 -6.902 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.658 7.500 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.573 8.985 -9.743 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.134 9.366 -8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.943 11.361 -8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.596 10.730 -8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.886 10.918 -11.068 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.339 11.355 -10.192 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.983 13.088 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.983 13.830 -9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.076 14.914 -10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.015 13.875 -12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.411 14.939 -12.430 1.00 0.00 H new ATOM 978 N ASP A 68 -6.235 8.812 -9.550 1.00 0.00 N ATOM 979 CA ASP A 68 -5.212 8.441 -10.565 1.00 0.00 C ATOM 980 C ASP A 68 -4.100 7.648 -9.886 1.00 0.00 C ATOM 981 O ASP A 68 -3.475 6.792 -10.481 1.00 0.00 O ATOM 982 CB ASP A 68 -4.679 9.770 -11.103 1.00 0.00 C ATOM 983 CG ASP A 68 -5.711 10.388 -12.047 1.00 0.00 C ATOM 984 OD1 ASP A 68 -6.884 10.095 -11.884 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.311 11.144 -12.918 1.00 0.00 O ATOM 0 H ASP A 68 -6.122 9.738 -9.138 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.615 7.822 -11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.471 10.451 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.738 9.610 -11.630 1.00 0.00 H new ATOM 990 N GLU A 69 -3.865 7.918 -8.633 1.00 0.00 N ATOM 991 CA GLU A 69 -2.814 7.173 -7.899 1.00 0.00 C ATOM 992 C GLU A 69 -3.318 5.772 -7.591 1.00 0.00 C ATOM 993 O GLU A 69 -2.639 4.789 -7.812 1.00 0.00 O ATOM 994 CB GLU A 69 -2.599 7.960 -6.613 1.00 0.00 C ATOM 995 CG GLU A 69 -1.133 8.349 -6.523 1.00 0.00 C ATOM 996 CD GLU A 69 -0.781 8.707 -5.078 1.00 0.00 C ATOM 997 OE1 GLU A 69 -1.202 7.985 -4.190 1.00 0.00 O ATOM 998 OE2 GLU A 69 -0.098 9.698 -4.884 1.00 0.00 O ATOM 0 H GLU A 69 -4.358 8.625 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.889 7.072 -8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.228 8.850 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.885 7.359 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.507 7.526 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.931 9.197 -7.177 1.00 0.00 H new ATOM 1005 N PHE A 70 -4.520 5.674 -7.102 1.00 0.00 N ATOM 1006 CA PHE A 70 -5.083 4.336 -6.802 1.00 0.00 C ATOM 1007 C PHE A 70 -5.101 3.519 -8.088 1.00 0.00 C ATOM 1008 O PHE A 70 -5.110 2.309 -8.069 1.00 0.00 O ATOM 1009 CB PHE A 70 -6.507 4.597 -6.309 1.00 0.00 C ATOM 1010 CG PHE A 70 -7.146 3.290 -5.906 1.00 0.00 C ATOM 1011 CD1 PHE A 70 -7.774 2.489 -6.868 1.00 0.00 C ATOM 1012 CD2 PHE A 70 -7.107 2.879 -4.568 1.00 0.00 C ATOM 1013 CE1 PHE A 70 -8.364 1.277 -6.491 1.00 0.00 C ATOM 1014 CE2 PHE A 70 -7.697 1.667 -4.191 1.00 0.00 C ATOM 1015 CZ PHE A 70 -8.325 0.866 -5.153 1.00 0.00 C ATOM 0 H PHE A 70 -5.134 6.462 -6.898 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.506 3.785 -6.060 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.490 5.283 -5.462 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.094 5.074 -7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.803 2.806 -7.900 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.622 3.497 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.849 0.659 -7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.668 1.350 -3.159 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.780 -0.070 -4.863 1.00 0.00 H new ATOM 1025 N ALA A 71 -5.091 4.181 -9.209 1.00 0.00 N ATOM 1026 CA ALA A 71 -5.099 3.440 -10.504 1.00 0.00 C ATOM 1027 C ALA A 71 -3.785 2.686 -10.668 1.00 0.00 C ATOM 1028 O ALA A 71 -3.752 1.502 -10.957 1.00 0.00 O ATOM 1029 CB ALA A 71 -5.221 4.520 -11.577 1.00 0.00 C ATOM 0 H ALA A 71 -5.078 5.198 -9.288 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.908 2.712 -10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.234 4.054 -12.562 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.145 5.078 -11.428 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.371 5.199 -11.508 1.00 0.00 H new ATOM 1035 N VAL A 72 -2.701 3.374 -10.479 1.00 0.00 N ATOM 1036 CA VAL A 72 -1.369 2.732 -10.613 1.00 0.00 C ATOM 1037 C VAL A 72 -1.262 1.539 -9.661 1.00 0.00 C ATOM 1038 O VAL A 72 -0.505 0.613 -9.883 1.00 0.00 O ATOM 1039 CB VAL A 72 -0.385 3.822 -10.200 1.00 0.00 C ATOM 1040 CG1 VAL A 72 1.007 3.211 -10.036 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -0.360 4.918 -11.272 1.00 0.00 C ATOM 0 H VAL A 72 -2.679 4.364 -10.235 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.183 2.356 -11.619 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.695 4.261 -9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.713 3.987 -9.741 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.977 2.437 -9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.325 2.772 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.343 5.698 -10.979 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.049 4.489 -12.224 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.356 5.348 -11.376 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.004 1.569 -8.589 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.939 0.456 -7.598 1.00 0.00 C ATOM 1053 C ALA A 73 -2.862 -0.700 -7.985 1.00 0.00 C ATOM 1054 O ALA A 73 -2.845 -1.743 -7.363 1.00 0.00 O ATOM 1055 CB ALA A 73 -2.402 1.090 -6.288 1.00 0.00 C ATOM 0 H ALA A 73 -2.655 2.319 -8.355 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.938 0.029 -7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.387 0.341 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.734 1.910 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.416 1.472 -6.407 1.00 0.00 H new ATOM 1061 N MET A 74 -3.670 -0.543 -8.996 1.00 0.00 N ATOM 1062 CA MET A 74 -4.576 -1.668 -9.372 1.00 0.00 C ATOM 1063 C MET A 74 -3.892 -2.580 -10.386 1.00 0.00 C ATOM 1064 O MET A 74 -3.984 -3.789 -10.301 1.00 0.00 O ATOM 1065 CB MET A 74 -5.831 -1.023 -9.970 1.00 0.00 C ATOM 1066 CG MET A 74 -6.412 0.066 -9.041 1.00 0.00 C ATOM 1067 SD MET A 74 -5.886 -0.158 -7.311 1.00 0.00 S ATOM 1068 CE MET A 74 -6.813 -1.665 -6.966 1.00 0.00 C ATOM 0 H MET A 74 -3.744 0.297 -9.569 1.00 0.00 H new ATOM 0 HA MET A 74 -4.829 -2.287 -8.511 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.589 -0.584 -10.938 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.585 -1.790 -10.148 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.095 1.048 -9.392 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.500 0.045 -9.094 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.493 -1.491 -6.132 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.386 -1.950 -7.848 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.121 -2.467 -6.708 1.00 0.00 H new ATOM 1078 N PHE A 75 -3.186 -2.027 -11.327 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.487 -2.899 -12.310 1.00 0.00 C ATOM 1080 C PHE A 75 -1.236 -3.470 -11.639 1.00 0.00 C ATOM 1081 O PHE A 75 -0.695 -4.476 -12.051 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.148 -2.000 -13.505 1.00 0.00 C ATOM 1083 CG PHE A 75 -0.855 -1.261 -13.260 1.00 0.00 C ATOM 1084 CD1 PHE A 75 0.369 -1.928 -13.387 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -0.883 0.092 -12.912 1.00 0.00 C ATOM 1086 CE1 PHE A 75 1.566 -1.239 -13.164 1.00 0.00 C ATOM 1087 CE2 PHE A 75 0.311 0.780 -12.690 1.00 0.00 C ATOM 1088 CZ PHE A 75 1.538 0.117 -12.815 1.00 0.00 C ATOM 0 H PHE A 75 -3.062 -1.023 -11.459 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.088 -3.743 -12.648 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.063 -2.603 -14.409 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.955 -1.287 -13.672 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.389 -2.974 -13.657 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.828 0.605 -12.815 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.511 -1.753 -13.261 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.288 1.826 -12.421 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.461 0.650 -12.643 1.00 0.00 H new ATOM 1098 N LEU A 76 -0.801 -2.842 -10.578 1.00 0.00 N ATOM 1099 CA LEU A 76 0.385 -3.351 -9.840 1.00 0.00 C ATOM 1100 C LEU A 76 -0.047 -4.543 -8.988 1.00 0.00 C ATOM 1101 O LEU A 76 0.737 -5.409 -8.653 1.00 0.00 O ATOM 1102 CB LEU A 76 0.836 -2.185 -8.958 1.00 0.00 C ATOM 1103 CG LEU A 76 2.074 -1.529 -9.573 1.00 0.00 C ATOM 1104 CD1 LEU A 76 2.573 -0.416 -8.650 1.00 0.00 C ATOM 1105 CD2 LEU A 76 3.173 -2.580 -9.745 1.00 0.00 C ATOM 0 H LEU A 76 -1.220 -1.996 -10.192 1.00 0.00 H new ATOM 0 HA LEU A 76 1.191 -3.683 -10.494 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.033 -1.454 -8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.062 -2.541 -7.953 1.00 0.00 H new ATOM 0 HG LEU A 76 1.818 -1.107 -10.545 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.455 0.052 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.790 0.332 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.830 -0.837 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.056 -2.115 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.429 -3.001 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.818 -3.374 -10.402 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.306 -4.589 -8.645 1.00 0.00 N ATOM 1118 CA VAL A 77 -1.829 -5.715 -7.824 1.00 0.00 C ATOM 1119 C VAL A 77 -2.338 -6.834 -8.730 1.00 0.00 C ATOM 1120 O VAL A 77 -2.228 -7.997 -8.408 1.00 0.00 O ATOM 1121 CB VAL A 77 -2.981 -5.106 -7.023 1.00 0.00 C ATOM 1122 CG1 VAL A 77 -3.706 -6.207 -6.246 1.00 0.00 C ATOM 1123 CG2 VAL A 77 -2.431 -4.072 -6.042 1.00 0.00 C ATOM 0 H VAL A 77 -2.000 -3.887 -8.902 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.067 -6.153 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.680 -4.624 -7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.526 -5.770 -5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.101 -6.945 -6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.007 -6.691 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.253 -3.639 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.730 -4.554 -5.360 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.917 -3.285 -6.593 1.00 0.00 H new ATOM 1133 N TYR A 78 -2.898 -6.490 -9.858 1.00 0.00 N ATOM 1134 CA TYR A 78 -3.420 -7.535 -10.783 1.00 0.00 C ATOM 1135 C TYR A 78 -2.266 -8.237 -11.499 1.00 0.00 C ATOM 1136 O TYR A 78 -2.379 -9.376 -11.909 1.00 0.00 O ATOM 1137 CB TYR A 78 -4.291 -6.780 -11.784 1.00 0.00 C ATOM 1138 CG TYR A 78 -5.740 -6.933 -11.398 1.00 0.00 C ATOM 1139 CD1 TYR A 78 -6.347 -8.196 -11.442 1.00 0.00 C ATOM 1140 CD2 TYR A 78 -6.478 -5.815 -10.992 1.00 0.00 C ATOM 1141 CE1 TYR A 78 -7.692 -8.337 -11.080 1.00 0.00 C ATOM 1142 CE2 TYR A 78 -7.823 -5.958 -10.631 1.00 0.00 C ATOM 1143 CZ TYR A 78 -8.429 -7.218 -10.676 1.00 0.00 C ATOM 1144 OH TYR A 78 -9.755 -7.358 -10.320 1.00 0.00 O ATOM 0 H TYR A 78 -3.016 -5.529 -10.179 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.980 -8.307 -10.256 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.016 -5.725 -11.800 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.128 -7.167 -12.790 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.778 -9.059 -11.755 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.010 -4.842 -10.957 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.161 -9.309 -11.113 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.393 -5.096 -10.318 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.119 -6.485 -10.064 1.00 0.00 H new ATOM 1154 N CYS A 79 -1.156 -7.572 -11.649 1.00 0.00 N ATOM 1155 CA CYS A 79 0.001 -8.209 -12.333 1.00 0.00 C ATOM 1156 C CYS A 79 0.726 -9.124 -11.351 1.00 0.00 C ATOM 1157 O CYS A 79 1.498 -9.979 -11.736 1.00 0.00 O ATOM 1158 CB CYS A 79 0.900 -7.051 -12.769 1.00 0.00 C ATOM 1159 SG CYS A 79 0.544 -6.627 -14.493 1.00 0.00 S ATOM 0 H CYS A 79 -1.000 -6.616 -11.328 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.296 -8.819 -13.186 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.732 -6.185 -12.128 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.948 -7.330 -12.661 1.00 0.00 H new ATOM 0 HG CYS A 79 1.644 -6.666 -15.185 1.00 0.00 H new ATOM 1165 N ALA A 80 0.463 -8.969 -10.081 1.00 0.00 N ATOM 1166 CA ALA A 80 1.121 -9.848 -9.078 1.00 0.00 C ATOM 1167 C ALA A 80 0.274 -11.105 -8.889 1.00 0.00 C ATOM 1168 O ALA A 80 0.677 -12.054 -8.245 1.00 0.00 O ATOM 1169 CB ALA A 80 1.179 -9.027 -7.788 1.00 0.00 C ATOM 0 H ALA A 80 -0.177 -8.273 -9.698 1.00 0.00 H new ATOM 0 HA ALA A 80 2.119 -10.165 -9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.654 -9.616 -7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.757 -8.119 -7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.168 -8.761 -7.480 1.00 0.00 H new ATOM 1175 N LEU A 81 -0.901 -11.114 -9.456 1.00 0.00 N ATOM 1176 CA LEU A 81 -1.788 -12.303 -9.328 1.00 0.00 C ATOM 1177 C LEU A 81 -1.510 -13.263 -10.471 1.00 0.00 C ATOM 1178 O LEU A 81 -1.395 -14.458 -10.289 1.00 0.00 O ATOM 1179 CB LEU A 81 -3.217 -11.762 -9.443 1.00 0.00 C ATOM 1180 CG LEU A 81 -3.326 -10.397 -8.765 1.00 0.00 C ATOM 1181 CD1 LEU A 81 -4.797 -10.067 -8.513 1.00 0.00 C ATOM 1182 CD2 LEU A 81 -2.575 -10.427 -7.433 1.00 0.00 C ATOM 0 H LEU A 81 -1.286 -10.345 -10.005 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.630 -12.836 -8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.497 -11.677 -10.493 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.915 -12.461 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.889 -9.636 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.874 -9.093 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.332 -10.044 -9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.235 -10.828 -7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.653 -9.453 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.011 -11.189 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.525 -10.660 -7.612 1.00 0.00 H new ATOM 1194 N GLU A 82 -1.400 -12.738 -11.656 1.00 0.00 N ATOM 1195 CA GLU A 82 -1.128 -13.601 -12.829 1.00 0.00 C ATOM 1196 C GLU A 82 0.294 -14.144 -12.758 1.00 0.00 C ATOM 1197 O GLU A 82 0.523 -15.333 -12.855 1.00 0.00 O ATOM 1198 CB GLU A 82 -1.291 -12.684 -14.041 1.00 0.00 C ATOM 1199 CG GLU A 82 -2.668 -12.905 -14.668 1.00 0.00 C ATOM 1200 CD GLU A 82 -2.843 -14.387 -15.005 1.00 0.00 C ATOM 1201 OE1 GLU A 82 -2.381 -14.793 -16.059 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -3.436 -15.090 -14.204 1.00 0.00 O ATOM 0 H GLU A 82 -1.488 -11.743 -11.861 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.797 -14.460 -12.876 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.180 -11.642 -13.739 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.510 -12.889 -14.773 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.449 -12.583 -13.979 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.770 -12.301 -15.570 1.00 0.00 H new ATOM 1209 N LYS A 83 1.253 -13.281 -12.591 1.00 0.00 N ATOM 1210 CA LYS A 83 2.662 -13.759 -12.516 1.00 0.00 C ATOM 1211 C LYS A 83 3.640 -12.585 -12.387 1.00 0.00 C ATOM 1212 O LYS A 83 4.722 -12.723 -11.854 1.00 0.00 O ATOM 1213 CB LYS A 83 2.888 -14.499 -13.831 1.00 0.00 C ATOM 1214 CG LYS A 83 3.396 -15.914 -13.548 1.00 0.00 C ATOM 1215 CD LYS A 83 4.347 -16.347 -14.667 1.00 0.00 C ATOM 1216 CE LYS A 83 3.648 -17.371 -15.566 1.00 0.00 C ATOM 1217 NZ LYS A 83 2.639 -16.587 -16.335 1.00 0.00 N ATOM 0 H LYS A 83 1.126 -12.273 -12.504 1.00 0.00 H new ATOM 0 HA LYS A 83 2.830 -14.392 -11.645 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.958 -14.543 -14.399 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.610 -13.959 -14.443 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.911 -15.942 -12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.557 -16.607 -13.481 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.653 -15.481 -15.254 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.253 -16.779 -14.242 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.358 -17.861 -16.232 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.172 -18.154 -14.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.276 -17.164 -17.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.853 -16.322 -15.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.084 -15.727 -16.714 1.00 0.00 H new ATOM 1231 N GLU A 84 3.277 -11.438 -12.891 1.00 0.00 N ATOM 1232 CA GLU A 84 4.198 -10.265 -12.820 1.00 0.00 C ATOM 1233 C GLU A 84 4.389 -9.800 -11.375 1.00 0.00 C ATOM 1234 O GLU A 84 3.478 -9.282 -10.761 1.00 0.00 O ATOM 1235 CB GLU A 84 3.516 -9.175 -13.647 1.00 0.00 C ATOM 1236 CG GLU A 84 4.211 -9.059 -15.006 1.00 0.00 C ATOM 1237 CD GLU A 84 4.344 -7.583 -15.388 1.00 0.00 C ATOM 1238 OE1 GLU A 84 3.324 -6.965 -15.645 1.00 0.00 O ATOM 1239 OE2 GLU A 84 5.463 -7.097 -15.415 1.00 0.00 O ATOM 0 H GLU A 84 2.383 -11.261 -13.349 1.00 0.00 H new ATOM 0 HA GLU A 84 5.191 -10.510 -13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.461 -9.414 -13.785 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.561 -8.222 -13.120 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.196 -9.525 -14.964 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.639 -9.592 -15.765 1.00 0.00 H new ATOM 1246 N PRO A 85 5.584 -9.983 -10.884 1.00 0.00 N ATOM 1247 CA PRO A 85 5.908 -9.559 -9.503 1.00 0.00 C ATOM 1248 C PRO A 85 5.934 -8.031 -9.427 1.00 0.00 C ATOM 1249 O PRO A 85 5.633 -7.353 -10.390 1.00 0.00 O ATOM 1250 CB PRO A 85 7.294 -10.154 -9.258 1.00 0.00 C ATOM 1251 CG PRO A 85 7.884 -10.322 -10.621 1.00 0.00 C ATOM 1252 CD PRO A 85 6.737 -10.589 -11.560 1.00 0.00 C ATOM 0 HA PRO A 85 5.183 -9.891 -8.760 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.904 -9.494 -8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.228 -11.108 -8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.428 -9.426 -10.920 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.596 -11.147 -10.635 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.908 -10.141 -12.539 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.591 -11.657 -11.720 1.00 0.00 H new ATOM 1260 N VAL A 86 6.279 -7.479 -8.300 1.00 0.00 N ATOM 1261 CA VAL A 86 6.306 -5.993 -8.186 1.00 0.00 C ATOM 1262 C VAL A 86 7.646 -5.513 -7.621 1.00 0.00 C ATOM 1263 O VAL A 86 8.017 -5.871 -6.522 1.00 0.00 O ATOM 1264 CB VAL A 86 5.173 -5.650 -7.221 1.00 0.00 C ATOM 1265 CG1 VAL A 86 5.108 -4.133 -7.033 1.00 0.00 C ATOM 1266 CG2 VAL A 86 3.845 -6.151 -7.794 1.00 0.00 C ATOM 0 H VAL A 86 6.543 -7.987 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 86 6.185 -5.511 -9.156 1.00 0.00 H new ATOM 0 HB VAL A 86 5.356 -6.129 -6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.300 -3.886 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.054 -3.776 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.924 -3.655 -7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.036 -5.906 -7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.660 -5.672 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.892 -7.232 -7.929 1.00 0.00 H new ATOM 1276 N PRO A 87 8.320 -4.701 -8.390 1.00 0.00 N ATOM 1277 CA PRO A 87 9.617 -4.147 -7.955 1.00 0.00 C ATOM 1278 C PRO A 87 9.369 -2.902 -7.100 1.00 0.00 C ATOM 1279 O PRO A 87 8.241 -2.517 -6.875 1.00 0.00 O ATOM 1280 CB PRO A 87 10.305 -3.784 -9.266 1.00 0.00 C ATOM 1281 CG PRO A 87 9.198 -3.562 -10.256 1.00 0.00 C ATOM 1282 CD PRO A 87 7.948 -4.227 -9.724 1.00 0.00 C ATOM 0 HA PRO A 87 10.214 -4.831 -7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.915 -2.888 -9.153 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.970 -4.583 -9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.028 -2.495 -10.403 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.467 -3.979 -11.227 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.115 -3.525 -9.677 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.635 -5.051 -10.364 1.00 0.00 H new ATOM 1290 N MET A 88 10.401 -2.267 -6.621 1.00 0.00 N ATOM 1291 CA MET A 88 10.186 -1.048 -5.787 1.00 0.00 C ATOM 1292 C MET A 88 10.539 0.206 -6.576 1.00 0.00 C ATOM 1293 O MET A 88 10.671 1.276 -6.018 1.00 0.00 O ATOM 1294 CB MET A 88 11.153 -1.161 -4.620 1.00 0.00 C ATOM 1295 CG MET A 88 11.085 -2.559 -4.009 1.00 0.00 C ATOM 1296 SD MET A 88 12.509 -2.810 -2.921 1.00 0.00 S ATOM 1297 CE MET A 88 12.065 -1.567 -1.684 1.00 0.00 C ATOM 0 H MET A 88 11.375 -2.534 -6.767 1.00 0.00 H new ATOM 0 HA MET A 88 9.146 -0.978 -5.469 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.168 -0.954 -4.959 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.910 -0.414 -3.864 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.159 -2.677 -3.447 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.078 -3.312 -4.797 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.591 -1.777 -0.752 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.347 -0.578 -2.045 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.990 -1.596 -1.508 1.00 0.00 H new ATOM 1307 N SER A 89 10.731 0.091 -7.855 1.00 0.00 N ATOM 1308 CA SER A 89 11.116 1.299 -8.624 1.00 0.00 C ATOM 1309 C SER A 89 10.009 1.758 -9.554 1.00 0.00 C ATOM 1310 O SER A 89 9.776 1.193 -10.601 1.00 0.00 O ATOM 1311 CB SER A 89 12.336 0.892 -9.419 1.00 0.00 C ATOM 1312 OG SER A 89 11.952 0.001 -10.457 1.00 0.00 O ATOM 0 H SER A 89 10.640 -0.770 -8.394 1.00 0.00 H new ATOM 0 HA SER A 89 11.312 2.139 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.818 1.773 -9.842 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.065 0.413 -8.766 1.00 0.00 H new ATOM 0 HG SER A 89 11.348 0.461 -11.077 1.00 0.00 H new ATOM 1318 N LEU A 90 9.348 2.799 -9.171 1.00 0.00 N ATOM 1319 CA LEU A 90 8.249 3.353 -10.016 1.00 0.00 C ATOM 1320 C LEU A 90 8.767 3.650 -11.428 1.00 0.00 C ATOM 1321 O LEU A 90 9.468 4.620 -11.636 1.00 0.00 O ATOM 1322 CB LEU A 90 7.842 4.652 -9.316 1.00 0.00 C ATOM 1323 CG LEU A 90 6.371 4.582 -8.913 1.00 0.00 C ATOM 1324 CD1 LEU A 90 6.024 5.792 -8.044 1.00 0.00 C ATOM 1325 CD2 LEU A 90 5.499 4.595 -10.170 1.00 0.00 C ATOM 0 H LEU A 90 9.517 3.303 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 90 7.414 2.660 -10.122 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.463 4.811 -8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.007 5.501 -9.980 1.00 0.00 H new ATOM 0 HG LEU A 90 6.190 3.665 -8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.974 5.744 -7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.647 5.788 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.204 6.708 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.448 4.545 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.680 5.513 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.747 3.736 -10.794 1.00 0.00 H new ATOM 1337 N PRO A 91 8.402 2.806 -12.359 1.00 0.00 N ATOM 1338 CA PRO A 91 8.841 2.994 -13.767 1.00 0.00 C ATOM 1339 C PRO A 91 8.189 4.241 -14.377 1.00 0.00 C ATOM 1340 O PRO A 91 7.052 4.555 -14.086 1.00 0.00 O ATOM 1341 CB PRO A 91 8.358 1.725 -14.464 1.00 0.00 C ATOM 1342 CG PRO A 91 7.224 1.239 -13.623 1.00 0.00 C ATOM 1343 CD PRO A 91 7.558 1.614 -12.204 1.00 0.00 C ATOM 0 HA PRO A 91 9.916 3.144 -13.863 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.034 1.932 -15.484 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.152 0.981 -14.527 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.285 1.696 -13.935 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.102 0.160 -13.721 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.661 1.829 -11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.086 0.811 -11.690 1.00 0.00 H new ATOM 1351 N PRO A 92 8.947 4.911 -15.203 1.00 0.00 N ATOM 1352 CA PRO A 92 8.459 6.147 -15.871 1.00 0.00 C ATOM 1353 C PRO A 92 7.419 5.816 -16.946 1.00 0.00 C ATOM 1354 O PRO A 92 6.820 6.694 -17.535 1.00 0.00 O ATOM 1355 CB PRO A 92 9.717 6.724 -16.509 1.00 0.00 C ATOM 1356 CG PRO A 92 10.630 5.556 -16.695 1.00 0.00 C ATOM 1357 CD PRO A 92 10.323 4.581 -15.590 1.00 0.00 C ATOM 0 HA PRO A 92 7.971 6.835 -15.181 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.491 7.204 -17.461 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.171 7.482 -15.870 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.474 5.096 -17.671 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.673 5.871 -16.654 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.406 3.550 -15.933 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.012 4.695 -14.753 1.00 0.00 H new ATOM 1365 N ALA A 93 7.196 4.560 -17.202 1.00 0.00 N ATOM 1366 CA ALA A 93 6.189 4.175 -18.233 1.00 0.00 C ATOM 1367 C ALA A 93 4.809 4.083 -17.588 1.00 0.00 C ATOM 1368 O ALA A 93 3.813 3.847 -18.243 1.00 0.00 O ATOM 1369 CB ALA A 93 6.627 2.798 -18.728 1.00 0.00 C ATOM 0 H ALA A 93 7.667 3.780 -16.743 1.00 0.00 H new ATOM 0 HA ALA A 93 6.130 4.899 -19.046 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.932 2.448 -19.491 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.629 2.866 -19.153 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.633 2.097 -17.894 1.00 0.00 H new ATOM 1375 N LEU A 94 4.754 4.255 -16.300 1.00 0.00 N ATOM 1376 CA LEU A 94 3.459 4.164 -15.582 1.00 0.00 C ATOM 1377 C LEU A 94 3.192 5.472 -14.824 1.00 0.00 C ATOM 1378 O LEU A 94 2.178 5.632 -14.174 1.00 0.00 O ATOM 1379 CB LEU A 94 3.665 2.959 -14.643 1.00 0.00 C ATOM 1380 CG LEU A 94 3.558 3.356 -13.169 1.00 0.00 C ATOM 1381 CD1 LEU A 94 2.102 3.242 -12.735 1.00 0.00 C ATOM 1382 CD2 LEU A 94 4.420 2.413 -12.335 1.00 0.00 C ATOM 0 H LEU A 94 5.560 4.457 -15.709 1.00 0.00 H new ATOM 0 HA LEU A 94 2.591 4.027 -16.227 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.922 2.194 -14.867 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.644 2.517 -14.829 1.00 0.00 H new ATOM 0 HG LEU A 94 3.903 4.380 -13.027 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.012 3.522 -11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.488 3.907 -13.342 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.763 2.215 -12.866 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.349 2.690 -11.283 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.070 1.389 -12.465 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.458 2.486 -12.660 1.00 0.00 H new ATOM 1394 N VAL A 95 4.109 6.397 -14.891 1.00 0.00 N ATOM 1395 CA VAL A 95 3.926 7.683 -14.162 1.00 0.00 C ATOM 1396 C VAL A 95 3.296 8.737 -15.074 1.00 0.00 C ATOM 1397 O VAL A 95 3.690 8.890 -16.213 1.00 0.00 O ATOM 1398 CB VAL A 95 5.342 8.099 -13.759 1.00 0.00 C ATOM 1399 CG1 VAL A 95 5.321 9.517 -13.186 1.00 0.00 C ATOM 1400 CG2 VAL A 95 5.875 7.131 -12.702 1.00 0.00 C ATOM 0 H VAL A 95 4.978 6.318 -15.420 1.00 0.00 H new ATOM 0 HA VAL A 95 3.262 7.581 -13.304 1.00 0.00 H new ATOM 0 HB VAL A 95 5.988 8.075 -14.637 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.332 9.809 -12.900 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.943 10.208 -13.939 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.674 9.546 -12.310 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.884 7.426 -12.414 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.226 7.155 -11.827 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.895 6.121 -13.111 1.00 0.00 H new ATOM 1410 N PRO A 96 2.338 9.439 -14.530 1.00 0.00 N ATOM 1411 CA PRO A 96 1.646 10.504 -15.296 1.00 0.00 C ATOM 1412 C PRO A 96 2.572 11.710 -15.474 1.00 0.00 C ATOM 1413 O PRO A 96 3.552 11.849 -14.769 1.00 0.00 O ATOM 1414 CB PRO A 96 0.450 10.857 -14.415 1.00 0.00 C ATOM 1415 CG PRO A 96 0.860 10.466 -13.031 1.00 0.00 C ATOM 1416 CD PRO A 96 1.812 9.306 -13.166 1.00 0.00 C ATOM 0 HA PRO A 96 1.350 10.195 -16.299 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.218 11.920 -14.472 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.444 10.318 -14.729 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.339 11.301 -12.520 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.009 10.185 -12.436 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.609 9.354 -12.424 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.303 8.353 -13.025 1.00 0.00 H new ATOM 1424 N PRO A 97 2.231 12.543 -16.418 1.00 0.00 N ATOM 1425 CA PRO A 97 3.045 13.750 -16.700 1.00 0.00 C ATOM 1426 C PRO A 97 2.904 14.773 -15.570 1.00 0.00 C ATOM 1427 O PRO A 97 3.544 15.806 -15.574 1.00 0.00 O ATOM 1428 CB PRO A 97 2.454 14.286 -18.000 1.00 0.00 C ATOM 1429 CG PRO A 97 1.054 13.762 -18.032 1.00 0.00 C ATOM 1430 CD PRO A 97 1.065 12.443 -17.302 1.00 0.00 C ATOM 0 HA PRO A 97 4.111 13.537 -16.779 1.00 0.00 H new ATOM 0 HB2 PRO A 97 2.468 15.376 -18.021 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.024 13.943 -18.864 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.368 14.462 -17.555 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.713 13.632 -19.059 1.00 0.00 H new ATOM 0 HD2 PRO A 97 0.146 12.291 -16.736 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.157 11.604 -17.992 1.00 0.00 H new ATOM 1438 N SER A 98 2.080 14.495 -14.598 1.00 0.00 N ATOM 1439 CA SER A 98 1.916 15.457 -13.472 1.00 0.00 C ATOM 1440 C SER A 98 3.073 15.301 -12.489 1.00 0.00 C ATOM 1441 O SER A 98 3.493 16.246 -11.850 1.00 0.00 O ATOM 1442 CB SER A 98 0.585 15.089 -12.815 1.00 0.00 C ATOM 1443 OG SER A 98 0.015 16.251 -12.226 1.00 0.00 O ATOM 0 H SER A 98 1.516 13.648 -14.534 1.00 0.00 H new ATOM 0 HA SER A 98 1.918 16.495 -13.806 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.096 14.671 -13.556 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.740 14.322 -12.057 1.00 0.00 H new ATOM 0 HG SER A 98 -0.839 16.019 -11.805 1.00 0.00 H new ATOM 1449 N LYS A 99 3.603 14.118 -12.377 1.00 0.00 N ATOM 1450 CA LYS A 99 4.745 13.898 -11.451 1.00 0.00 C ATOM 1451 C LYS A 99 6.054 14.038 -12.225 1.00 0.00 C ATOM 1452 O LYS A 99 7.110 13.657 -11.761 1.00 0.00 O ATOM 1453 CB LYS A 99 4.574 12.469 -10.940 1.00 0.00 C ATOM 1454 CG LYS A 99 5.601 12.190 -9.841 1.00 0.00 C ATOM 1455 CD LYS A 99 5.402 13.180 -8.691 1.00 0.00 C ATOM 1456 CE LYS A 99 6.206 12.715 -7.475 1.00 0.00 C ATOM 1457 NZ LYS A 99 6.701 13.969 -6.840 1.00 0.00 N ATOM 0 H LYS A 99 3.294 13.291 -12.888 1.00 0.00 H new ATOM 0 HA LYS A 99 4.769 14.616 -10.631 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.565 12.329 -10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.702 11.761 -11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.492 11.168 -9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.611 12.280 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.724 14.176 -8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.345 13.251 -8.436 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.585 12.142 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.033 12.069 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.263 13.733 -5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.294 14.490 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.892 14.560 -6.562 1.00 0.00 H new ATOM 1471 N ARG A 100 5.990 14.577 -13.413 1.00 0.00 N ATOM 1472 CA ARG A 100 7.232 14.733 -14.224 1.00 0.00 C ATOM 1473 C ARG A 100 7.714 16.184 -14.203 1.00 0.00 C ATOM 1474 O ARG A 100 6.950 17.109 -14.393 1.00 0.00 O ATOM 1475 CB ARG A 100 6.836 14.323 -15.642 1.00 0.00 C ATOM 1476 CG ARG A 100 7.430 12.951 -15.960 1.00 0.00 C ATOM 1477 CD ARG A 100 6.864 12.446 -17.289 1.00 0.00 C ATOM 1478 NE ARG A 100 5.688 11.612 -16.916 1.00 0.00 N ATOM 1479 CZ ARG A 100 5.206 10.748 -17.767 1.00 0.00 C ATOM 1480 NH1 ARG A 100 4.327 11.125 -18.653 1.00 0.00 N ATOM 1481 NH2 ARG A 100 5.605 9.506 -17.730 1.00 0.00 N ATOM 0 H ARG A 100 5.135 14.915 -13.855 1.00 0.00 H new ATOM 0 HA ARG A 100 8.050 14.127 -13.834 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.750 14.291 -15.733 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.194 15.061 -16.359 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.516 13.018 -16.017 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.195 12.247 -15.161 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.571 13.275 -17.934 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.604 11.862 -17.837 1.00 0.00 H new ATOM 0 HE ARG A 100 5.260 11.716 -15.996 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.016 12.096 -18.681 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.951 10.449 -19.318 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.293 9.212 -17.037 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.229 8.830 -18.395 1.00 0.00 H new TER 1495 ARG A 100 ATOM 1496 N SER B 107 8.467 5.654 3.597 1.00 0.00 N ATOM 1497 CA SER B 107 7.288 5.822 2.695 1.00 0.00 C ATOM 1498 C SER B 107 5.998 5.463 3.438 1.00 0.00 C ATOM 1499 O SER B 107 5.937 4.486 4.159 1.00 0.00 O ATOM 1500 CB SER B 107 7.525 4.849 1.541 1.00 0.00 C ATOM 1501 OG SER B 107 8.433 5.432 0.615 1.00 0.00 O ATOM 0 HA SER B 107 7.182 6.849 2.347 1.00 0.00 H new ATOM 0 HB2 SER B 107 7.927 3.909 1.919 1.00 0.00 H new ATOM 0 HB3 SER B 107 6.582 4.617 1.046 1.00 0.00 H new ATOM 0 HG SER B 107 8.647 4.782 -0.087 1.00 0.00 H new ATOM 1507 N THR B 108 4.965 6.244 3.264 1.00 0.00 N ATOM 1508 CA THR B 108 3.679 5.943 3.959 1.00 0.00 C ATOM 1509 C THR B 108 3.125 4.602 3.471 1.00 0.00 C ATOM 1510 O THR B 108 2.252 4.550 2.627 1.00 0.00 O ATOM 1511 CB THR B 108 2.739 7.084 3.570 1.00 0.00 C ATOM 1512 OG1 THR B 108 2.513 7.054 2.166 1.00 0.00 O ATOM 1513 CG2 THR B 108 3.367 8.423 3.961 1.00 0.00 C ATOM 0 H THR B 108 4.956 7.075 2.673 1.00 0.00 H new ATOM 0 HA THR B 108 3.799 5.868 5.040 1.00 0.00 H new ATOM 0 HB THR B 108 1.790 6.966 4.093 1.00 0.00 H new ATOM 0 HG1 THR B 108 2.073 6.213 1.923 1.00 0.00 H new ATOM 0 HG21 THR B 108 2.695 9.235 3.683 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.536 8.445 5.038 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.318 8.544 3.442 1.00 0.00 H new ATOM 1521 N ASN B 109 3.628 3.517 3.990 1.00 0.00 N ATOM 1522 CA ASN B 109 3.133 2.183 3.546 1.00 0.00 C ATOM 1523 C ASN B 109 2.425 1.460 4.698 1.00 0.00 C ATOM 1524 O ASN B 109 3.002 1.259 5.749 1.00 0.00 O ATOM 1525 CB ASN B 109 4.389 1.423 3.130 1.00 0.00 C ATOM 1526 CG ASN B 109 3.987 0.212 2.295 1.00 0.00 C ATOM 1527 OD1 ASN B 109 3.845 -0.875 2.817 1.00 0.00 O ATOM 1528 ND2 ASN B 109 3.796 0.356 1.012 1.00 0.00 N ATOM 0 H ASN B 109 4.359 3.495 4.701 1.00 0.00 H new ATOM 0 HA ASN B 109 2.409 2.261 2.735 1.00 0.00 H new ATOM 0 HB2 ASN B 109 5.049 2.073 2.556 1.00 0.00 H new ATOM 0 HB3 ASN B 109 4.945 1.104 4.012 1.00 0.00 H new ATOM 0 HD21 ASN B 109 3.526 -0.447 0.443 1.00 0.00 H new ATOM 0 HD22 ASN B 109 3.916 1.271 0.578 1.00 0.00 H new ATOM 1535 N PRO B 110 1.192 1.096 4.460 1.00 0.00 N ATOM 1536 CA PRO B 110 0.392 0.392 5.491 1.00 0.00 C ATOM 1537 C PRO B 110 0.801 -1.087 5.582 1.00 0.00 C ATOM 1538 O PRO B 110 0.400 -1.792 6.487 1.00 0.00 O ATOM 1539 CB PRO B 110 -1.040 0.526 4.982 1.00 0.00 C ATOM 1540 CG PRO B 110 -0.919 0.702 3.500 1.00 0.00 C ATOM 1541 CD PRO B 110 0.433 1.310 3.222 1.00 0.00 C ATOM 0 HA PRO B 110 0.529 0.804 6.491 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -1.628 -0.359 5.226 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -1.542 1.379 5.439 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -1.020 -0.257 2.991 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -1.713 1.347 3.125 1.00 0.00 H new ATOM 0 HD2 PRO B 110 0.917 0.830 2.371 1.00 0.00 H new ATOM 0 HD3 PRO B 110 0.350 2.371 2.985 1.00 0.00 H new ATOM 1549 N PHE B 111 1.594 -1.560 4.656 1.00 0.00 N ATOM 1550 CA PHE B 111 2.024 -2.993 4.697 1.00 0.00 C ATOM 1551 C PHE B 111 3.431 -3.107 5.291 1.00 0.00 C ATOM 1552 O PHE B 111 3.759 -4.074 5.948 1.00 0.00 O ATOM 1553 CB PHE B 111 2.019 -3.458 3.237 1.00 0.00 C ATOM 1554 CG PHE B 111 0.601 -3.495 2.724 1.00 0.00 C ATOM 1555 CD1 PHE B 111 -0.235 -4.565 3.060 1.00 0.00 C ATOM 1556 CD2 PHE B 111 0.121 -2.457 1.917 1.00 0.00 C ATOM 1557 CE1 PHE B 111 -1.551 -4.599 2.588 1.00 0.00 C ATOM 1558 CE2 PHE B 111 -1.195 -2.492 1.444 1.00 0.00 C ATOM 1559 CZ PHE B 111 -2.032 -3.562 1.782 1.00 0.00 C ATOM 0 H PHE B 111 1.963 -1.019 3.874 1.00 0.00 H new ATOM 0 HA PHE B 111 1.366 -3.600 5.318 1.00 0.00 H new ATOM 0 HB2 PHE B 111 2.620 -2.783 2.627 1.00 0.00 H new ATOM 0 HB3 PHE B 111 2.471 -4.447 3.158 1.00 0.00 H new ATOM 0 HD1 PHE B 111 0.136 -5.365 3.684 1.00 0.00 H new ATOM 0 HD2 PHE B 111 0.766 -1.630 1.660 1.00 0.00 H new ATOM 0 HE1 PHE B 111 -2.196 -5.426 2.846 1.00 0.00 H new ATOM 0 HE2 PHE B 111 -1.565 -1.694 0.818 1.00 0.00 H new ATOM 0 HZ PHE B 111 -3.049 -3.587 1.420 1.00 0.00 H new ATOM 1569 N LEU B 112 4.265 -2.127 5.066 1.00 0.00 N ATOM 1570 CA LEU B 112 5.651 -2.181 5.619 1.00 0.00 C ATOM 1571 C LEU B 112 5.683 -1.573 7.024 1.00 0.00 C ATOM 1572 O LEU B 112 6.189 -0.472 7.159 1.00 0.00 O ATOM 1573 CB LEU B 112 6.497 -1.345 4.657 1.00 0.00 C ATOM 1574 CG LEU B 112 7.110 -2.257 3.592 1.00 0.00 C ATOM 1575 CD1 LEU B 112 6.797 -1.703 2.201 1.00 0.00 C ATOM 1576 CD2 LEU B 112 8.626 -2.315 3.784 1.00 0.00 C ATOM 1577 OXT LEU B 112 5.201 -2.220 7.940 1.00 0.00 O ATOM 0 H LEU B 112 4.047 -1.291 4.523 1.00 0.00 H new ATOM 0 HA LEU B 112 6.021 -3.203 5.704 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.881 -0.580 4.185 1.00 0.00 H new ATOM 0 HB3 LEU B 112 7.284 -0.827 5.204 1.00 0.00 H new ATOM 0 HG LEU B 112 6.690 -3.258 3.688 1.00 0.00 H new ATOM 0 HD11 LEU B 112 7.234 -2.353 1.443 1.00 0.00 H new ATOM 0 HD12 LEU B 112 5.717 -1.659 2.062 1.00 0.00 H new ATOM 0 HD13 LEU B 112 7.217 -0.702 2.105 1.00 0.00 H new ATOM 0 HD21 LEU B 112 9.064 -2.964 3.026 1.00 0.00 H new ATOM 0 HD22 LEU B 112 9.043 -1.313 3.688 1.00 0.00 H new ATOM 0 HD23 LEU B 112 8.852 -2.709 4.775 1.00 0.00 H new TER 1589 LEU B 112 HETATM 1590 CA CA A 113 -1.081 9.978 -2.606 1.00 0.00 CA