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 Set 1.1: A 32 SER OG : rot 28:sc= -0.309 USER MOD Set 1.2: A 35 LYS NZ :NH3+ -125:sc= 0.0888 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0625) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 99:sc= 0.781 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 108:sc= -0.471! USER MOD Single : A 28 ASN :FLIP amide:sc= -1.36 F(o=-1.9!,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0.111 (180deg=0.094) USER MOD Single : A 42 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.6!) USER MOD Single : A 43 SER OG : rot 107:sc= -1.95! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 60:sc= -2.55! USER MOD Single : A 61 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-3.3!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 141:sc= -2.51! (180deg=-4.83!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -142:sc= 0.712 USER MOD Single : A 83 LYS NZ :NH3+ 139:sc= -0.356 (180deg=-2.1!) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -37:sc= 0.915 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -146:sc= -0.0116 (180deg=-1.91!) USER MOD Single : B 107 SER OG : rot -8:sc= 0.802 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0.121 USER MOD Single : B 109 ASN : amide:sc= -5.45! C(o=-5.4!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 3.093 5.919 -23.153 1.00 0.00 N ATOM 2 CA PRO A 6 2.199 6.729 -22.289 1.00 0.00 C ATOM 3 C PRO A 6 2.173 6.170 -20.866 1.00 0.00 C ATOM 4 O PRO A 6 2.985 5.346 -20.494 1.00 0.00 O ATOM 5 CB PRO A 6 0.833 6.584 -22.954 1.00 0.00 C ATOM 6 CG PRO A 6 0.902 5.293 -23.706 1.00 0.00 C ATOM 7 CD PRO A 6 2.343 5.085 -24.098 1.00 0.00 C ATOM 0 HA PRO A 6 2.518 7.767 -22.199 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.034 6.567 -22.213 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.629 7.420 -23.623 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.548 4.468 -23.088 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.264 5.327 -24.589 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.630 4.036 -24.020 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.524 5.389 -25.129 1.00 0.00 H new ATOM 15 N TRP A 7 1.240 6.611 -20.071 1.00 0.00 N ATOM 16 CA TRP A 7 1.148 6.111 -18.672 1.00 0.00 C ATOM 17 C TRP A 7 0.957 4.592 -18.675 1.00 0.00 C ATOM 18 O TRP A 7 0.051 4.076 -19.298 1.00 0.00 O ATOM 19 CB TRP A 7 -0.079 6.814 -18.095 1.00 0.00 C ATOM 20 CG TRP A 7 -0.297 6.380 -16.684 1.00 0.00 C ATOM 21 CD1 TRP A 7 0.601 5.710 -15.933 1.00 0.00 C ATOM 22 CD2 TRP A 7 -1.472 6.574 -15.845 1.00 0.00 C ATOM 23 NE1 TRP A 7 0.055 5.479 -14.683 1.00 0.00 N ATOM 24 CE2 TRP A 7 -1.223 5.993 -14.580 1.00 0.00 C ATOM 25 CE3 TRP A 7 -2.718 7.192 -16.058 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -2.176 6.023 -13.561 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -3.679 7.225 -15.035 1.00 0.00 C ATOM 28 CH2 TRP A 7 -3.408 6.642 -13.788 1.00 0.00 C ATOM 0 H TRP A 7 0.534 7.299 -20.331 1.00 0.00 H new ATOM 0 HA TRP A 7 2.045 6.314 -18.088 1.00 0.00 H new ATOM 0 HB2 TRP A 7 0.058 7.895 -18.135 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.958 6.582 -18.696 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.585 5.404 -16.255 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.537 4.989 -13.930 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.936 7.644 -17.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.963 5.571 -12.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.632 7.702 -15.209 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.151 6.672 -13.004 1.00 0.00 H new ATOM 39 N ALA A 8 1.804 3.875 -17.988 1.00 0.00 N ATOM 40 CA ALA A 8 1.672 2.389 -17.953 1.00 0.00 C ATOM 41 C ALA A 8 0.201 1.991 -17.821 1.00 0.00 C ATOM 42 O ALA A 8 -0.206 0.925 -18.239 1.00 0.00 O ATOM 43 CB ALA A 8 2.453 1.952 -16.716 1.00 0.00 C ATOM 0 H ALA A 8 2.583 4.254 -17.449 1.00 0.00 H new ATOM 0 HA ALA A 8 2.049 1.921 -18.862 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.404 0.867 -16.619 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.494 2.261 -16.815 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.020 2.415 -15.830 1.00 0.00 H new ATOM 49 N VAL A 9 -0.599 2.841 -17.239 1.00 0.00 N ATOM 50 CA VAL A 9 -2.043 2.510 -17.078 1.00 0.00 C ATOM 51 C VAL A 9 -2.862 3.163 -18.194 1.00 0.00 C ATOM 52 O VAL A 9 -2.636 4.299 -18.562 1.00 0.00 O ATOM 53 CB VAL A 9 -2.432 3.088 -15.718 1.00 0.00 C ATOM 54 CG1 VAL A 9 -3.952 3.028 -15.552 1.00 0.00 C ATOM 55 CG2 VAL A 9 -1.767 2.267 -14.609 1.00 0.00 C ATOM 0 H VAL A 9 -0.316 3.748 -16.869 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.230 1.438 -17.133 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.101 4.125 -15.655 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.229 3.440 -14.582 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.428 3.609 -16.342 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.284 1.992 -15.614 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.043 2.677 -13.637 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.100 1.231 -14.673 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.684 2.308 -14.726 1.00 0.00 H new ATOM 65 N LYS A 10 -3.814 2.454 -18.735 1.00 0.00 N ATOM 66 CA LYS A 10 -4.649 3.032 -19.827 1.00 0.00 C ATOM 67 C LYS A 10 -5.943 3.606 -19.242 1.00 0.00 C ATOM 68 O LYS A 10 -6.200 3.474 -18.062 1.00 0.00 O ATOM 69 CB LYS A 10 -4.945 1.854 -20.754 1.00 0.00 C ATOM 70 CG LYS A 10 -3.983 1.887 -21.942 1.00 0.00 C ATOM 71 CD LYS A 10 -4.768 2.126 -23.233 1.00 0.00 C ATOM 72 CE LYS A 10 -4.548 3.566 -23.705 1.00 0.00 C ATOM 73 NZ LYS A 10 -3.397 3.496 -24.651 1.00 0.00 N ATOM 0 H LYS A 10 -4.050 1.498 -18.468 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.152 3.846 -20.354 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.838 0.915 -20.212 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.976 1.904 -21.105 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.244 2.676 -21.803 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.436 0.946 -22.006 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.444 1.426 -24.003 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.830 1.945 -23.064 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.438 3.960 -24.196 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.329 4.226 -22.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.189 4.448 -25.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.562 3.125 -24.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.637 2.867 -25.444 1.00 0.00 H new ATOM 87 N PRO A 11 -6.720 4.224 -20.091 1.00 0.00 N ATOM 88 CA PRO A 11 -8.005 4.822 -19.647 1.00 0.00 C ATOM 89 C PRO A 11 -8.987 3.726 -19.230 1.00 0.00 C ATOM 90 O PRO A 11 -9.736 3.881 -18.286 1.00 0.00 O ATOM 91 CB PRO A 11 -8.497 5.572 -20.882 1.00 0.00 C ATOM 92 CG PRO A 11 -7.829 4.892 -22.032 1.00 0.00 C ATOM 93 CD PRO A 11 -6.490 4.424 -21.527 1.00 0.00 C ATOM 0 HA PRO A 11 -7.902 5.474 -18.780 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.582 5.522 -20.969 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.229 6.628 -20.837 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.426 4.052 -22.387 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.710 5.576 -22.872 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.176 3.502 -22.016 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.710 5.164 -21.710 1.00 0.00 H new ATOM 101 N GLU A 12 -8.987 2.615 -19.917 1.00 0.00 N ATOM 102 CA GLU A 12 -9.919 1.514 -19.539 1.00 0.00 C ATOM 103 C GLU A 12 -9.437 0.856 -18.242 1.00 0.00 C ATOM 104 O GLU A 12 -10.212 0.295 -17.488 1.00 0.00 O ATOM 105 CB GLU A 12 -9.884 0.530 -20.712 1.00 0.00 C ATOM 106 CG GLU A 12 -8.502 -0.119 -20.823 1.00 0.00 C ATOM 107 CD GLU A 12 -8.661 -1.633 -20.972 1.00 0.00 C ATOM 108 OE1 GLU A 12 -8.750 -2.304 -19.957 1.00 0.00 O ATOM 109 OE2 GLU A 12 -8.697 -2.096 -22.101 1.00 0.00 O ATOM 0 H GLU A 12 -8.386 2.423 -20.718 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.934 1.866 -19.357 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.644 -0.239 -20.573 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.124 1.051 -21.639 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.965 0.287 -21.680 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.909 0.110 -19.938 1.00 0.00 H new ATOM 116 N ASP A 13 -8.164 0.944 -17.966 1.00 0.00 N ATOM 117 CA ASP A 13 -7.625 0.350 -16.714 1.00 0.00 C ATOM 118 C ASP A 13 -7.849 1.334 -15.572 1.00 0.00 C ATOM 119 O ASP A 13 -8.215 0.964 -14.475 1.00 0.00 O ATOM 120 CB ASP A 13 -6.131 0.149 -16.973 1.00 0.00 C ATOM 121 CG ASP A 13 -5.872 -1.308 -17.362 1.00 0.00 C ATOM 122 OD1 ASP A 13 -5.892 -2.149 -16.479 1.00 0.00 O ATOM 123 OD2 ASP A 13 -5.658 -1.557 -18.537 1.00 0.00 O ATOM 0 H ASP A 13 -7.473 1.404 -18.558 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.106 -0.590 -16.444 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.796 0.814 -17.769 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.559 0.406 -16.082 1.00 0.00 H new ATOM 128 N LYS A 14 -7.653 2.594 -15.838 1.00 0.00 N ATOM 129 CA LYS A 14 -7.879 3.619 -14.787 1.00 0.00 C ATOM 130 C LYS A 14 -9.381 3.752 -14.545 1.00 0.00 C ATOM 131 O LYS A 14 -9.822 4.263 -13.536 1.00 0.00 O ATOM 132 CB LYS A 14 -7.313 4.918 -15.360 1.00 0.00 C ATOM 133 CG LYS A 14 -7.185 5.959 -14.245 1.00 0.00 C ATOM 134 CD LYS A 14 -8.300 7.000 -14.383 1.00 0.00 C ATOM 135 CE LYS A 14 -8.652 7.556 -13.000 1.00 0.00 C ATOM 136 NZ LYS A 14 -8.872 9.014 -13.215 1.00 0.00 N ATOM 0 H LYS A 14 -7.345 2.958 -16.740 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.406 3.366 -13.838 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.339 4.733 -15.812 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.965 5.294 -16.149 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.246 5.473 -13.271 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.211 6.445 -14.298 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.979 7.808 -15.041 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.180 6.548 -14.840 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.545 7.077 -12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.847 7.379 -12.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.357 9.418 -12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.955 9.488 -13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.457 9.155 -14.063 1.00 0.00 H new ATOM 150 N ALA A 15 -10.167 3.275 -15.473 1.00 0.00 N ATOM 151 CA ALA A 15 -11.644 3.348 -15.316 1.00 0.00 C ATOM 152 C ALA A 15 -12.082 2.346 -14.256 1.00 0.00 C ATOM 153 O ALA A 15 -12.852 2.660 -13.369 1.00 0.00 O ATOM 154 CB ALA A 15 -12.211 2.971 -16.685 1.00 0.00 C ATOM 0 H ALA A 15 -9.846 2.836 -16.336 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.990 4.333 -15.001 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.300 3.002 -16.649 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.852 3.677 -17.434 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.885 1.965 -16.949 1.00 0.00 H new ATOM 160 N LYS A 16 -11.578 1.145 -14.320 1.00 0.00 N ATOM 161 CA LYS A 16 -11.953 0.143 -13.290 1.00 0.00 C ATOM 162 C LYS A 16 -11.220 0.497 -11.992 1.00 0.00 C ATOM 163 O LYS A 16 -11.697 0.242 -10.903 1.00 0.00 O ATOM 164 CB LYS A 16 -11.525 -1.217 -13.879 1.00 0.00 C ATOM 165 CG LYS A 16 -10.326 -1.803 -13.126 1.00 0.00 C ATOM 166 CD LYS A 16 -10.232 -3.302 -13.412 1.00 0.00 C ATOM 167 CE LYS A 16 -10.177 -3.532 -14.923 1.00 0.00 C ATOM 168 NZ LYS A 16 -9.566 -4.880 -15.083 1.00 0.00 N ATOM 0 H LYS A 16 -10.928 0.818 -15.035 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.016 0.118 -13.049 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.361 -1.914 -13.832 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.270 -1.095 -14.932 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.408 -1.304 -13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.436 -1.632 -12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.343 -3.718 -12.938 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.092 -3.819 -12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.173 -3.495 -15.365 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.580 -2.766 -15.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.494 -5.111 -16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.616 -4.883 -14.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.160 -5.589 -14.608 1.00 0.00 H new ATOM 182 N TYR A 17 -10.072 1.110 -12.109 1.00 0.00 N ATOM 183 CA TYR A 17 -9.315 1.512 -10.892 1.00 0.00 C ATOM 184 C TYR A 17 -10.089 2.618 -10.180 1.00 0.00 C ATOM 185 O TYR A 17 -10.089 2.723 -8.969 1.00 0.00 O ATOM 186 CB TYR A 17 -7.977 2.056 -11.403 1.00 0.00 C ATOM 187 CG TYR A 17 -7.186 0.973 -12.106 1.00 0.00 C ATOM 188 CD1 TYR A 17 -7.719 -0.314 -12.260 1.00 0.00 C ATOM 189 CD2 TYR A 17 -5.912 1.264 -12.610 1.00 0.00 C ATOM 190 CE1 TYR A 17 -6.979 -1.305 -12.915 1.00 0.00 C ATOM 191 CE2 TYR A 17 -5.171 0.273 -13.263 1.00 0.00 C ATOM 192 CZ TYR A 17 -5.704 -1.013 -13.415 1.00 0.00 C ATOM 193 OH TYR A 17 -4.974 -1.989 -14.061 1.00 0.00 O ATOM 0 H TYR A 17 -9.627 1.349 -12.995 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.170 0.687 -10.195 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.155 2.885 -12.088 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.398 2.451 -10.568 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.701 -0.541 -11.873 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.501 2.256 -12.494 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.392 -2.296 -13.035 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.188 0.500 -13.650 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.069 -1.880 -15.030 1.00 0.00 H new ATOM 203 N ASP A 18 -10.752 3.446 -10.939 1.00 0.00 N ATOM 204 CA ASP A 18 -11.537 4.560 -10.335 1.00 0.00 C ATOM 205 C ASP A 18 -12.849 4.029 -9.761 1.00 0.00 C ATOM 206 O ASP A 18 -13.554 4.719 -9.054 1.00 0.00 O ATOM 207 CB ASP A 18 -11.810 5.516 -11.494 1.00 0.00 C ATOM 208 CG ASP A 18 -12.892 6.518 -11.088 1.00 0.00 C ATOM 209 OD1 ASP A 18 -12.591 7.396 -10.297 1.00 0.00 O ATOM 210 OD2 ASP A 18 -14.003 6.390 -11.576 1.00 0.00 O ATOM 0 H ASP A 18 -10.784 3.399 -11.957 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.006 5.047 -9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.896 6.043 -11.767 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.130 4.956 -12.373 1.00 0.00 H new ATOM 215 N ALA A 19 -13.167 2.796 -10.036 1.00 0.00 N ATOM 216 CA ALA A 19 -14.417 2.213 -9.478 1.00 0.00 C ATOM 217 C ALA A 19 -14.047 1.515 -8.183 1.00 0.00 C ATOM 218 O ALA A 19 -14.810 1.456 -7.238 1.00 0.00 O ATOM 219 CB ALA A 19 -14.906 1.208 -10.521 1.00 0.00 C ATOM 0 H ALA A 19 -12.617 2.168 -10.622 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.193 2.950 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.827 0.740 -10.172 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.095 1.724 -11.462 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.145 0.442 -10.673 1.00 0.00 H new ATOM 225 N ILE A 20 -12.848 1.020 -8.137 1.00 0.00 N ATOM 226 CA ILE A 20 -12.349 0.355 -6.919 1.00 0.00 C ATOM 227 C ILE A 20 -11.887 1.444 -5.954 1.00 0.00 C ATOM 228 O ILE A 20 -12.001 1.324 -4.750 1.00 0.00 O ATOM 229 CB ILE A 20 -11.178 -0.485 -7.419 1.00 0.00 C ATOM 230 CG1 ILE A 20 -11.707 -1.680 -8.214 1.00 0.00 C ATOM 231 CG2 ILE A 20 -10.362 -0.983 -6.239 1.00 0.00 C ATOM 232 CD1 ILE A 20 -10.567 -2.290 -9.033 1.00 0.00 C ATOM 0 H ILE A 20 -12.183 1.051 -8.910 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.082 -0.260 -6.397 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.546 0.128 -8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.123 -2.426 -7.537 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -12.515 -1.363 -8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.527 -1.582 -6.601 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -9.980 -0.132 -5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.993 -1.593 -5.592 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.942 -3.142 -9.600 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.172 -1.542 -9.720 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.774 -2.621 -8.362 1.00 0.00 H new ATOM 244 N PHE A 21 -11.388 2.525 -6.495 1.00 0.00 N ATOM 245 CA PHE A 21 -10.936 3.659 -5.644 1.00 0.00 C ATOM 246 C PHE A 21 -12.174 4.376 -5.090 1.00 0.00 C ATOM 247 O PHE A 21 -12.206 4.804 -3.953 1.00 0.00 O ATOM 248 CB PHE A 21 -10.127 4.556 -6.599 1.00 0.00 C ATOM 249 CG PHE A 21 -10.366 6.021 -6.300 1.00 0.00 C ATOM 250 CD1 PHE A 21 -11.541 6.641 -6.742 1.00 0.00 C ATOM 251 CD2 PHE A 21 -9.411 6.757 -5.588 1.00 0.00 C ATOM 252 CE1 PHE A 21 -11.763 7.996 -6.470 1.00 0.00 C ATOM 253 CE2 PHE A 21 -9.633 8.112 -5.317 1.00 0.00 C ATOM 254 CZ PHE A 21 -10.809 8.732 -5.758 1.00 0.00 C ATOM 0 H PHE A 21 -11.275 2.669 -7.498 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.332 3.362 -4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.065 4.330 -6.504 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.407 4.341 -7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.276 6.074 -7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.504 6.279 -5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.670 8.473 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.897 8.680 -4.767 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.980 9.778 -5.549 1.00 0.00 H new ATOM 264 N ASP A 22 -13.193 4.491 -5.894 1.00 0.00 N ATOM 265 CA ASP A 22 -14.443 5.159 -5.438 1.00 0.00 C ATOM 266 C ASP A 22 -15.339 4.147 -4.720 1.00 0.00 C ATOM 267 O ASP A 22 -16.397 4.478 -4.225 1.00 0.00 O ATOM 268 CB ASP A 22 -15.115 5.660 -6.718 1.00 0.00 C ATOM 269 CG ASP A 22 -16.573 6.025 -6.427 1.00 0.00 C ATOM 270 OD1 ASP A 22 -17.409 5.138 -6.493 1.00 0.00 O ATOM 271 OD2 ASP A 22 -16.827 7.183 -6.145 1.00 0.00 O ATOM 0 H ASP A 22 -13.214 4.148 -6.855 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.251 5.972 -4.738 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.582 6.529 -7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.070 4.891 -7.489 1.00 0.00 H new ATOM 276 N SER A 23 -14.911 2.915 -4.642 1.00 0.00 N ATOM 277 CA SER A 23 -15.725 1.887 -3.935 1.00 0.00 C ATOM 278 C SER A 23 -15.344 1.886 -2.455 1.00 0.00 C ATOM 279 O SER A 23 -15.985 1.267 -1.629 1.00 0.00 O ATOM 280 CB SER A 23 -15.352 0.559 -4.594 1.00 0.00 C ATOM 281 OG SER A 23 -15.631 -0.506 -3.695 1.00 0.00 O ATOM 0 H SER A 23 -14.033 2.577 -5.037 1.00 0.00 H new ATOM 0 HA SER A 23 -16.797 2.072 -4.000 1.00 0.00 H new ATOM 0 HB2 SER A 23 -15.915 0.427 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.295 0.557 -4.862 1.00 0.00 H new ATOM 0 HG SER A 23 -15.394 -1.359 -4.115 1.00 0.00 H new ATOM 287 N LEU A 24 -14.301 2.597 -2.124 1.00 0.00 N ATOM 288 CA LEU A 24 -13.850 2.678 -0.705 1.00 0.00 C ATOM 289 C LEU A 24 -14.331 3.994 -0.101 1.00 0.00 C ATOM 290 O LEU A 24 -14.186 4.232 1.082 1.00 0.00 O ATOM 291 CB LEU A 24 -12.318 2.673 -0.753 1.00 0.00 C ATOM 292 CG LEU A 24 -11.814 1.871 -1.950 1.00 0.00 C ATOM 293 CD1 LEU A 24 -10.287 1.917 -1.985 1.00 0.00 C ATOM 294 CD2 LEU A 24 -12.256 0.422 -1.815 1.00 0.00 C ATOM 0 H LEU A 24 -13.736 3.131 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.240 1.856 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.949 3.697 -0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.923 2.246 0.169 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.222 2.299 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.925 1.345 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.956 2.952 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.889 1.487 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.896 -0.150 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.845 0.000 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.344 0.375 -1.780 1.00 0.00 H new ATOM 306 N SER A 25 -14.875 4.852 -0.932 1.00 0.00 N ATOM 307 CA SER A 25 -15.369 6.198 -0.483 1.00 0.00 C ATOM 308 C SER A 25 -14.222 7.208 -0.559 1.00 0.00 C ATOM 309 O SER A 25 -13.425 7.318 0.351 1.00 0.00 O ATOM 310 CB SER A 25 -15.863 6.039 0.958 1.00 0.00 C ATOM 311 OG SER A 25 -16.478 4.766 1.107 1.00 0.00 O ATOM 0 H SER A 25 -15.001 4.672 -1.928 1.00 0.00 H new ATOM 0 HA SER A 25 -16.178 6.561 -1.117 1.00 0.00 H new ATOM 0 HB2 SER A 25 -15.029 6.136 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.574 6.829 1.200 1.00 0.00 H new ATOM 0 HG SER A 25 -15.896 4.182 1.637 1.00 0.00 H new ATOM 317 N PRO A 26 -14.176 7.898 -1.665 1.00 0.00 N ATOM 318 CA PRO A 26 -13.111 8.903 -1.900 1.00 0.00 C ATOM 319 C PRO A 26 -13.322 10.139 -1.028 1.00 0.00 C ATOM 320 O PRO A 26 -14.432 10.495 -0.685 1.00 0.00 O ATOM 321 CB PRO A 26 -13.270 9.255 -3.376 1.00 0.00 C ATOM 322 CG PRO A 26 -14.696 8.944 -3.694 1.00 0.00 C ATOM 323 CD PRO A 26 -15.110 7.810 -2.792 1.00 0.00 C ATOM 0 HA PRO A 26 -12.118 8.528 -1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.045 10.306 -3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.590 8.671 -3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.327 9.817 -3.530 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.805 8.663 -4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.144 7.917 -2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.035 6.848 -3.299 1.00 0.00 H new ATOM 331 N VAL A 27 -12.257 10.802 -0.683 1.00 0.00 N ATOM 332 CA VAL A 27 -12.371 12.028 0.150 1.00 0.00 C ATOM 333 C VAL A 27 -11.752 13.201 -0.607 1.00 0.00 C ATOM 334 O VAL A 27 -10.551 13.381 -0.613 1.00 0.00 O ATOM 335 CB VAL A 27 -11.582 11.721 1.422 1.00 0.00 C ATOM 336 CG1 VAL A 27 -11.577 12.952 2.329 1.00 0.00 C ATOM 337 CG2 VAL A 27 -12.239 10.550 2.158 1.00 0.00 C ATOM 0 H VAL A 27 -11.305 10.545 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.402 12.294 0.381 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.557 11.459 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.014 12.733 3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.112 13.787 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.602 13.214 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.677 10.330 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.264 10.814 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.245 9.672 1.513 1.00 0.00 H new ATOM 347 N ASN A 28 -12.563 13.985 -1.264 1.00 0.00 N ATOM 348 CA ASN A 28 -12.027 15.136 -2.047 1.00 0.00 C ATOM 349 C ASN A 28 -11.137 14.623 -3.183 1.00 0.00 C ATOM 350 O ASN A 28 -10.388 15.368 -3.784 1.00 0.00 O ATOM 351 CB ASN A 28 -11.217 15.969 -1.050 1.00 0.00 C ATOM 352 CG ASN A 28 -10.795 17.282 -1.710 1.00 0.00 C ATOM 353 OD1 ASN A 28 -9.729 17.302 -2.462 1.00 0.00 O flip ATOM 354 ND2 ASN A 28 -11.439 18.298 -1.538 1.00 0.00 N flip ATOM 0 H ASN A 28 -13.577 13.878 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.819 15.729 -2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.813 16.172 -0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.337 15.413 -0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.272 18.280 -0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.146 19.169 -1.982 1.00 0.00 H new ATOM 361 N GLY A 29 -11.219 13.353 -3.485 1.00 0.00 N ATOM 362 CA GLY A 29 -10.386 12.790 -4.587 1.00 0.00 C ATOM 363 C GLY A 29 -9.214 12.000 -3.999 1.00 0.00 C ATOM 364 O GLY A 29 -8.137 11.965 -4.560 1.00 0.00 O ATOM 0 H GLY A 29 -11.827 12.682 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.993 12.142 -5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.013 13.595 -5.221 1.00 0.00 H new ATOM 368 N PHE A 30 -9.410 11.369 -2.873 1.00 0.00 N ATOM 369 CA PHE A 30 -8.293 10.591 -2.258 1.00 0.00 C ATOM 370 C PHE A 30 -8.806 9.401 -1.455 1.00 0.00 C ATOM 371 O PHE A 30 -9.903 9.406 -0.933 1.00 0.00 O ATOM 372 CB PHE A 30 -7.602 11.566 -1.312 1.00 0.00 C ATOM 373 CG PHE A 30 -6.929 12.637 -2.120 1.00 0.00 C ATOM 374 CD1 PHE A 30 -5.683 12.389 -2.702 1.00 0.00 C ATOM 375 CD2 PHE A 30 -7.554 13.874 -2.294 1.00 0.00 C ATOM 376 CE1 PHE A 30 -5.058 13.385 -3.461 1.00 0.00 C ATOM 377 CE2 PHE A 30 -6.933 14.869 -3.050 1.00 0.00 C ATOM 378 CZ PHE A 30 -5.684 14.627 -3.636 1.00 0.00 C ATOM 0 H PHE A 30 -10.288 11.357 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.632 10.193 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.329 12.009 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.870 11.041 -0.699 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.203 11.431 -2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.518 14.060 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.095 13.197 -3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.416 15.826 -3.183 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.204 15.397 -4.222 1.00 0.00 H new ATOM 388 N LEU A 31 -7.983 8.405 -1.315 1.00 0.00 N ATOM 389 CA LEU A 31 -8.364 7.221 -0.500 1.00 0.00 C ATOM 390 C LEU A 31 -7.353 7.096 0.628 1.00 0.00 C ATOM 391 O LEU A 31 -6.266 7.627 0.550 1.00 0.00 O ATOM 392 CB LEU A 31 -8.263 6.001 -1.421 1.00 0.00 C ATOM 393 CG LEU A 31 -9.535 5.839 -2.244 1.00 0.00 C ATOM 394 CD1 LEU A 31 -9.513 4.451 -2.871 1.00 0.00 C ATOM 395 CD2 LEU A 31 -10.763 5.960 -1.340 1.00 0.00 C ATOM 0 H LEU A 31 -7.054 8.359 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.369 7.305 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.406 6.111 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.092 5.104 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.585 6.612 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.414 4.307 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.635 4.354 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.474 3.697 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.667 5.843 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.730 5.184 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.768 6.940 -0.862 1.00 0.00 H new ATOM 407 N SER A 32 -7.682 6.407 1.671 1.00 0.00 N ATOM 408 CA SER A 32 -6.703 6.273 2.775 1.00 0.00 C ATOM 409 C SER A 32 -6.079 4.887 2.748 1.00 0.00 C ATOM 410 O SER A 32 -6.738 3.911 2.471 1.00 0.00 O ATOM 411 CB SER A 32 -7.512 6.474 4.054 1.00 0.00 C ATOM 412 OG SER A 32 -8.681 5.667 4.000 1.00 0.00 O ATOM 0 H SER A 32 -8.575 5.934 1.810 1.00 0.00 H new ATOM 0 HA SER A 32 -5.888 6.993 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.912 6.207 4.924 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.785 7.523 4.165 1.00 0.00 H new ATOM 0 HG SER A 32 -8.511 4.881 3.439 1.00 0.00 H new ATOM 418 N GLY A 33 -4.812 4.789 3.040 1.00 0.00 N ATOM 419 CA GLY A 33 -4.163 3.446 3.045 1.00 0.00 C ATOM 420 C GLY A 33 -5.089 2.460 3.761 1.00 0.00 C ATOM 421 O GLY A 33 -5.053 1.270 3.522 1.00 0.00 O ATOM 0 H GLY A 33 -4.202 5.572 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.973 3.114 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.198 3.494 3.550 1.00 0.00 H new ATOM 425 N ASP A 34 -5.925 2.958 4.631 1.00 0.00 N ATOM 426 CA ASP A 34 -6.867 2.069 5.368 1.00 0.00 C ATOM 427 C ASP A 34 -7.966 1.562 4.429 1.00 0.00 C ATOM 428 O ASP A 34 -8.558 0.525 4.658 1.00 0.00 O ATOM 429 CB ASP A 34 -7.468 2.947 6.465 1.00 0.00 C ATOM 430 CG ASP A 34 -8.671 2.234 7.085 1.00 0.00 C ATOM 431 OD1 ASP A 34 -8.461 1.414 7.963 1.00 0.00 O ATOM 432 OD2 ASP A 34 -9.783 2.519 6.670 1.00 0.00 O ATOM 0 H ASP A 34 -5.996 3.948 4.864 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.367 1.191 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.720 3.154 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.775 3.907 6.050 1.00 0.00 H new ATOM 437 N LYS A 35 -8.234 2.269 3.362 1.00 0.00 N ATOM 438 CA LYS A 35 -9.274 1.811 2.411 1.00 0.00 C ATOM 439 C LYS A 35 -8.593 0.993 1.328 1.00 0.00 C ATOM 440 O LYS A 35 -9.105 -0.004 0.857 1.00 0.00 O ATOM 441 CB LYS A 35 -9.873 3.095 1.842 1.00 0.00 C ATOM 442 CG LYS A 35 -10.852 3.685 2.859 1.00 0.00 C ATOM 443 CD LYS A 35 -11.306 5.068 2.390 1.00 0.00 C ATOM 444 CE LYS A 35 -12.488 5.536 3.245 1.00 0.00 C ATOM 445 NZ LYS A 35 -11.871 6.156 4.451 1.00 0.00 N ATOM 0 H LYS A 35 -7.773 3.144 3.113 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.046 1.188 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.083 3.813 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.386 2.887 0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.714 3.027 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.376 3.759 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.483 5.778 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.596 5.030 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.106 6.253 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.133 4.701 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.251 5.704 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.840 6.025 4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.091 7.172 4.470 1.00 0.00 H new ATOM 459 N VAL A 36 -7.417 1.403 0.952 1.00 0.00 N ATOM 460 CA VAL A 36 -6.659 0.657 -0.081 1.00 0.00 C ATOM 461 C VAL A 36 -6.020 -0.587 0.543 1.00 0.00 C ATOM 462 O VAL A 36 -5.989 -1.647 -0.047 1.00 0.00 O ATOM 463 CB VAL A 36 -5.579 1.633 -0.542 1.00 0.00 C ATOM 464 CG1 VAL A 36 -4.677 0.949 -1.567 1.00 0.00 C ATOM 465 CG2 VAL A 36 -6.238 2.864 -1.167 1.00 0.00 C ATOM 0 H VAL A 36 -6.946 2.230 1.320 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.288 0.318 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.978 1.943 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.906 1.646 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.207 0.076 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.273 0.636 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.468 3.561 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.841 2.559 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.875 3.350 -0.428 1.00 0.00 H new ATOM 475 N LYS A 37 -5.501 -0.458 1.734 1.00 0.00 N ATOM 476 CA LYS A 37 -4.847 -1.620 2.401 1.00 0.00 C ATOM 477 C LYS A 37 -5.644 -2.912 2.167 1.00 0.00 C ATOM 478 O LYS A 37 -5.107 -3.881 1.668 1.00 0.00 O ATOM 479 CB LYS A 37 -4.804 -1.259 3.891 1.00 0.00 C ATOM 480 CG LYS A 37 -4.613 -2.528 4.730 1.00 0.00 C ATOM 481 CD LYS A 37 -4.626 -2.164 6.216 1.00 0.00 C ATOM 482 CE LYS A 37 -3.915 -3.259 7.015 1.00 0.00 C ATOM 483 NZ LYS A 37 -2.633 -2.642 7.455 1.00 0.00 N ATOM 0 H LYS A 37 -5.502 0.406 2.276 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.850 -1.806 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.989 -0.561 4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.728 -0.757 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.406 -3.243 4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.670 -3.010 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.130 -1.206 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.652 -2.052 6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.514 -3.577 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.738 -4.143 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.151 -3.280 8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.024 -2.479 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.828 -1.735 7.925 1.00 0.00 H new ATOM 497 N PRO A 38 -6.899 -2.889 2.532 1.00 0.00 N ATOM 498 CA PRO A 38 -7.759 -4.086 2.350 1.00 0.00 C ATOM 499 C PRO A 38 -8.003 -4.334 0.863 1.00 0.00 C ATOM 500 O PRO A 38 -8.088 -5.459 0.411 1.00 0.00 O ATOM 501 CB PRO A 38 -9.055 -3.708 3.061 1.00 0.00 C ATOM 502 CG PRO A 38 -9.071 -2.214 3.052 1.00 0.00 C ATOM 503 CD PRO A 38 -7.634 -1.771 3.133 1.00 0.00 C ATOM 0 HA PRO A 38 -7.318 -5.001 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.924 -4.116 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.077 -4.098 4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.543 -1.836 2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.644 -1.827 3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.469 -0.842 2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.325 -1.595 4.163 1.00 0.00 H new ATOM 511 N VAL A 39 -8.109 -3.287 0.099 1.00 0.00 N ATOM 512 CA VAL A 39 -8.338 -3.445 -1.362 1.00 0.00 C ATOM 513 C VAL A 39 -7.182 -4.234 -1.981 1.00 0.00 C ATOM 514 O VAL A 39 -7.373 -5.029 -2.880 1.00 0.00 O ATOM 515 CB VAL A 39 -8.394 -2.004 -1.885 1.00 0.00 C ATOM 516 CG1 VAL A 39 -7.988 -1.930 -3.361 1.00 0.00 C ATOM 517 CG2 VAL A 39 -9.823 -1.479 -1.733 1.00 0.00 C ATOM 0 H VAL A 39 -8.047 -2.322 0.425 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.246 -3.996 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.695 -1.399 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.038 -0.896 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.970 -2.301 -3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.667 -2.541 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.875 -0.455 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.504 -2.107 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.109 -1.501 -0.681 1.00 0.00 H new ATOM 527 N LEU A 40 -5.988 -4.029 -1.503 1.00 0.00 N ATOM 528 CA LEU A 40 -4.827 -4.775 -2.063 1.00 0.00 C ATOM 529 C LEU A 40 -4.724 -6.136 -1.386 1.00 0.00 C ATOM 530 O LEU A 40 -4.216 -7.087 -1.948 1.00 0.00 O ATOM 531 CB LEU A 40 -3.604 -3.921 -1.738 1.00 0.00 C ATOM 532 CG LEU A 40 -3.879 -2.468 -2.115 1.00 0.00 C ATOM 533 CD1 LEU A 40 -2.726 -1.591 -1.624 1.00 0.00 C ATOM 534 CD2 LEU A 40 -4.000 -2.358 -3.635 1.00 0.00 C ATOM 0 H LEU A 40 -5.765 -3.378 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.920 -4.948 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.369 -3.993 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.735 -4.290 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.808 -2.135 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.919 -0.552 -1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.640 -1.676 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.796 -1.918 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.197 -1.322 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.070 -2.686 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.820 -2.987 -3.981 1.00 0.00 H new ATOM 546 N LEU A 41 -5.225 -6.242 -0.187 1.00 0.00 N ATOM 547 CA LEU A 41 -5.179 -7.544 0.522 1.00 0.00 C ATOM 548 C LEU A 41 -6.172 -8.492 -0.133 1.00 0.00 C ATOM 549 O LEU A 41 -6.137 -9.690 0.068 1.00 0.00 O ATOM 550 CB LEU A 41 -5.605 -7.236 1.954 1.00 0.00 C ATOM 551 CG LEU A 41 -4.467 -6.534 2.687 1.00 0.00 C ATOM 552 CD1 LEU A 41 -5.002 -5.925 3.983 1.00 0.00 C ATOM 553 CD2 LEU A 41 -3.372 -7.553 3.010 1.00 0.00 C ATOM 0 H LEU A 41 -5.664 -5.481 0.330 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.194 -8.011 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.494 -6.605 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.870 -8.158 2.471 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.054 -5.744 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.191 -5.422 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.786 -5.204 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.411 -6.714 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.556 -7.056 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.783 -8.341 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.996 -7.989 2.084 1.00 0.00 H new ATOM 565 N ASN A 42 -7.061 -7.957 -0.925 1.00 0.00 N ATOM 566 CA ASN A 42 -8.060 -8.818 -1.603 1.00 0.00 C ATOM 567 C ASN A 42 -7.427 -9.455 -2.842 1.00 0.00 C ATOM 568 O ASN A 42 -7.986 -10.343 -3.454 1.00 0.00 O ATOM 569 CB ASN A 42 -9.200 -7.880 -1.997 1.00 0.00 C ATOM 570 CG ASN A 42 -10.274 -7.894 -0.907 1.00 0.00 C ATOM 571 OD1 ASN A 42 -10.527 -8.915 -0.300 1.00 0.00 O ATOM 572 ND2 ASN A 42 -10.923 -6.795 -0.634 1.00 0.00 N ATOM 0 H ASN A 42 -7.135 -6.960 -1.129 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.416 -9.629 -0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.821 -6.868 -2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.629 -8.192 -2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.642 -6.794 0.089 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.711 -5.937 -1.144 1.00 0.00 H new ATOM 579 N SER A 43 -6.258 -9.005 -3.209 1.00 0.00 N ATOM 580 CA SER A 43 -5.570 -9.574 -4.401 1.00 0.00 C ATOM 581 C SER A 43 -4.867 -10.881 -4.021 1.00 0.00 C ATOM 582 O SER A 43 -4.104 -11.433 -4.789 1.00 0.00 O ATOM 583 CB SER A 43 -4.547 -8.514 -4.799 1.00 0.00 C ATOM 584 OG SER A 43 -4.985 -7.245 -4.337 1.00 0.00 O ATOM 0 H SER A 43 -5.747 -8.263 -2.731 1.00 0.00 H new ATOM 0 HA SER A 43 -6.259 -9.805 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.573 -8.753 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.425 -8.498 -5.882 1.00 0.00 H new ATOM 0 HG SER A 43 -4.432 -6.965 -3.578 1.00 0.00 H new ATOM 590 N LYS A 44 -5.107 -11.371 -2.834 1.00 0.00 N ATOM 591 CA LYS A 44 -4.442 -12.632 -2.396 1.00 0.00 C ATOM 592 C LYS A 44 -2.936 -12.400 -2.281 1.00 0.00 C ATOM 593 O LYS A 44 -2.153 -13.327 -2.220 1.00 0.00 O ATOM 594 CB LYS A 44 -4.750 -13.653 -3.492 1.00 0.00 C ATOM 595 CG LYS A 44 -5.361 -14.907 -2.862 1.00 0.00 C ATOM 596 CD LYS A 44 -6.062 -15.736 -3.941 1.00 0.00 C ATOM 597 CE LYS A 44 -6.820 -16.894 -3.286 1.00 0.00 C ATOM 598 NZ LYS A 44 -6.788 -17.993 -4.290 1.00 0.00 N ATOM 0 H LYS A 44 -5.735 -10.952 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.794 -12.975 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.440 -13.225 -4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.838 -13.911 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.583 -15.500 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.073 -14.626 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.752 -15.109 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.330 -16.122 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.346 -17.198 -2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.844 -16.609 -3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.289 -18.823 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.252 -17.677 -5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.801 -18.248 -4.494 1.00 0.00 H new ATOM 612 N LEU A 45 -2.527 -11.161 -2.252 1.00 0.00 N ATOM 613 CA LEU A 45 -1.075 -10.853 -2.143 1.00 0.00 C ATOM 614 C LEU A 45 -0.695 -10.597 -0.687 1.00 0.00 C ATOM 615 O LEU A 45 -1.504 -10.135 0.094 1.00 0.00 O ATOM 616 CB LEU A 45 -0.883 -9.578 -2.963 1.00 0.00 C ATOM 617 CG LEU A 45 -0.647 -9.930 -4.430 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.477 -8.639 -5.232 1.00 0.00 C ATOM 619 CD2 LEU A 45 0.620 -10.784 -4.556 1.00 0.00 C ATOM 0 H LEU A 45 -3.139 -10.347 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.454 -11.675 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.762 -8.941 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.036 -9.011 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.498 -10.492 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.308 -8.882 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.378 -8.033 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.376 -8.081 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.787 -11.035 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.475 -10.225 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.500 -11.701 -3.978 1.00 0.00 H new ATOM 631 N PRO A 46 0.534 -10.891 -0.373 1.00 0.00 N ATOM 632 CA PRO A 46 1.031 -10.672 0.997 1.00 0.00 C ATOM 633 C PRO A 46 1.280 -9.177 1.221 1.00 0.00 C ATOM 634 O PRO A 46 1.043 -8.367 0.351 1.00 0.00 O ATOM 635 CB PRO A 46 2.330 -11.472 1.038 1.00 0.00 C ATOM 636 CG PRO A 46 2.785 -11.565 -0.380 1.00 0.00 C ATOM 637 CD PRO A 46 1.563 -11.449 -1.254 1.00 0.00 C ATOM 0 HA PRO A 46 0.335 -10.984 1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.077 -10.976 1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.168 -12.462 1.464 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.496 -10.771 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.296 -12.511 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.747 -10.800 -2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.264 -12.420 -1.649 1.00 0.00 H new ATOM 645 N VAL A 47 1.755 -8.808 2.374 1.00 0.00 N ATOM 646 CA VAL A 47 2.018 -7.370 2.653 1.00 0.00 C ATOM 647 C VAL A 47 3.334 -6.952 1.989 1.00 0.00 C ATOM 648 O VAL A 47 3.747 -5.812 2.069 1.00 0.00 O ATOM 649 CB VAL A 47 2.106 -7.296 4.184 1.00 0.00 C ATOM 650 CG1 VAL A 47 3.087 -6.201 4.622 1.00 0.00 C ATOM 651 CG2 VAL A 47 0.721 -6.987 4.755 1.00 0.00 C ATOM 0 H VAL A 47 1.974 -9.444 3.141 1.00 0.00 H new ATOM 0 HA VAL A 47 1.251 -6.701 2.263 1.00 0.00 H new ATOM 0 HB VAL A 47 2.463 -8.255 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.133 -6.167 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.078 -6.420 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.749 -5.237 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.779 -6.934 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.371 -6.032 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.025 -7.775 4.467 1.00 0.00 H new ATOM 661 N ASP A 48 3.992 -7.867 1.332 1.00 0.00 N ATOM 662 CA ASP A 48 5.273 -7.521 0.662 1.00 0.00 C ATOM 663 C ASP A 48 4.987 -6.976 -0.736 1.00 0.00 C ATOM 664 O ASP A 48 5.679 -6.107 -1.229 1.00 0.00 O ATOM 665 CB ASP A 48 6.055 -8.831 0.586 1.00 0.00 C ATOM 666 CG ASP A 48 7.340 -8.612 -0.213 1.00 0.00 C ATOM 667 OD1 ASP A 48 8.024 -7.640 0.059 1.00 0.00 O ATOM 668 OD2 ASP A 48 7.615 -9.419 -1.084 1.00 0.00 O ATOM 0 H ASP A 48 3.697 -8.838 1.231 1.00 0.00 H new ATOM 0 HA ASP A 48 5.833 -6.755 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.294 -9.183 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.447 -9.603 0.113 1.00 0.00 H new ATOM 673 N ILE A 49 3.955 -7.463 -1.368 1.00 0.00 N ATOM 674 CA ILE A 49 3.612 -6.949 -2.721 1.00 0.00 C ATOM 675 C ILE A 49 2.800 -5.677 -2.560 1.00 0.00 C ATOM 676 O ILE A 49 2.948 -4.721 -3.295 1.00 0.00 O ATOM 677 CB ILE A 49 2.752 -8.018 -3.390 1.00 0.00 C ATOM 678 CG1 ILE A 49 3.290 -9.410 -3.065 1.00 0.00 C ATOM 679 CG2 ILE A 49 2.787 -7.802 -4.901 1.00 0.00 C ATOM 680 CD1 ILE A 49 4.755 -9.489 -3.462 1.00 0.00 C ATOM 0 H ILE A 49 3.338 -8.191 -1.007 1.00 0.00 H new ATOM 0 HA ILE A 49 4.502 -6.736 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 49 1.729 -7.942 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.178 -9.616 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.716 -10.168 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.176 -8.560 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.395 -6.812 -5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.815 -7.879 -5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.142 -10.482 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.853 -9.301 -4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.323 -8.741 -2.909 1.00 0.00 H new ATOM 692 N LEU A 50 1.939 -5.668 -1.585 1.00 0.00 N ATOM 693 CA LEU A 50 1.102 -4.470 -1.340 1.00 0.00 C ATOM 694 C LEU A 50 1.966 -3.370 -0.738 1.00 0.00 C ATOM 695 O LEU A 50 1.698 -2.195 -0.893 1.00 0.00 O ATOM 696 CB LEU A 50 0.048 -4.929 -0.344 1.00 0.00 C ATOM 697 CG LEU A 50 -0.616 -6.214 -0.846 1.00 0.00 C ATOM 698 CD1 LEU A 50 -1.735 -6.619 0.115 1.00 0.00 C ATOM 699 CD2 LEU A 50 -1.197 -5.980 -2.241 1.00 0.00 C ATOM 0 H LEU A 50 1.780 -6.445 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 50 0.651 -4.072 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.506 -5.102 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.702 -4.150 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 50 0.126 -7.011 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.208 -7.534 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.318 -6.790 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.477 -5.823 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.669 -6.896 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.939 -5.183 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.398 -5.695 -2.925 1.00 0.00 H new ATOM 711 N GLY A 51 3.022 -3.743 -0.070 1.00 0.00 N ATOM 712 CA GLY A 51 3.918 -2.713 0.516 1.00 0.00 C ATOM 713 C GLY A 51 4.693 -2.079 -0.628 1.00 0.00 C ATOM 714 O GLY A 51 5.166 -0.964 -0.543 1.00 0.00 O ATOM 0 H GLY A 51 3.300 -4.711 0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.339 -1.960 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.599 -3.163 1.238 1.00 0.00 H new ATOM 718 N ARG A 52 4.807 -2.793 -1.709 1.00 0.00 N ATOM 719 CA ARG A 52 5.528 -2.264 -2.891 1.00 0.00 C ATOM 720 C ARG A 52 4.526 -1.751 -3.919 1.00 0.00 C ATOM 721 O ARG A 52 4.790 -0.809 -4.640 1.00 0.00 O ATOM 722 CB ARG A 52 6.284 -3.461 -3.449 1.00 0.00 C ATOM 723 CG ARG A 52 7.783 -3.185 -3.412 1.00 0.00 C ATOM 724 CD ARG A 52 8.511 -4.241 -4.244 1.00 0.00 C ATOM 725 NE ARG A 52 8.939 -5.275 -3.262 1.00 0.00 N ATOM 726 CZ ARG A 52 9.099 -6.512 -3.646 1.00 0.00 C ATOM 727 NH1 ARG A 52 9.465 -6.773 -4.872 1.00 0.00 N ATOM 728 NH2 ARG A 52 8.895 -7.488 -2.805 1.00 0.00 N ATOM 0 H ARG A 52 4.426 -3.732 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 52 6.192 -1.436 -2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.054 -4.353 -2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.966 -3.659 -4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.991 -2.189 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.143 -3.204 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.856 -4.666 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.367 -3.812 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 52 9.107 -5.017 -2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.626 -6.010 -5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.590 -7.740 -5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.610 -7.285 -1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.020 -8.455 -3.105 1.00 0.00 H new ATOM 742 N VAL A 53 3.374 -2.360 -3.995 1.00 0.00 N ATOM 743 CA VAL A 53 2.370 -1.886 -4.985 1.00 0.00 C ATOM 744 C VAL A 53 1.833 -0.531 -4.538 1.00 0.00 C ATOM 745 O VAL A 53 1.577 0.342 -5.343 1.00 0.00 O ATOM 746 CB VAL A 53 1.264 -2.941 -4.991 1.00 0.00 C ATOM 747 CG1 VAL A 53 0.009 -2.358 -5.645 1.00 0.00 C ATOM 748 CG2 VAL A 53 1.728 -4.164 -5.788 1.00 0.00 C ATOM 0 H VAL A 53 3.088 -3.154 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 53 2.789 -1.760 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 53 1.040 -3.237 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.781 -3.109 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.323 -1.486 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.236 -2.063 -6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.939 -4.916 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.952 -3.867 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.624 -4.580 -5.327 1.00 0.00 H new ATOM 758 N TRP A 54 1.678 -0.341 -3.257 1.00 0.00 N ATOM 759 CA TRP A 54 1.179 0.969 -2.769 1.00 0.00 C ATOM 760 C TRP A 54 2.258 2.037 -2.971 1.00 0.00 C ATOM 761 O TRP A 54 1.999 3.095 -3.499 1.00 0.00 O ATOM 762 CB TRP A 54 0.894 0.790 -1.272 1.00 0.00 C ATOM 763 CG TRP A 54 0.861 2.141 -0.633 1.00 0.00 C ATOM 764 CD1 TRP A 54 1.954 2.886 -0.363 1.00 0.00 C ATOM 765 CD2 TRP A 54 -0.287 2.926 -0.208 1.00 0.00 C ATOM 766 NE1 TRP A 54 1.557 4.086 0.177 1.00 0.00 N ATOM 767 CE2 TRP A 54 0.181 4.157 0.309 1.00 0.00 C ATOM 768 CE3 TRP A 54 -1.674 2.692 -0.221 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -0.699 5.124 0.796 1.00 0.00 C ATOM 770 CZ3 TRP A 54 -2.563 3.665 0.272 1.00 0.00 C ATOM 771 CH2 TRP A 54 -2.076 4.874 0.778 1.00 0.00 C ATOM 0 H TRP A 54 1.874 -1.033 -2.534 1.00 0.00 H new ATOM 0 HA TRP A 54 0.285 1.285 -3.307 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.057 0.278 -1.126 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.664 0.171 -0.811 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.976 2.587 -0.542 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.198 4.832 0.447 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.058 1.761 -0.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.321 6.058 1.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.626 3.477 0.259 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.764 5.616 1.156 1.00 0.00 H new ATOM 782 N GLU A 55 3.463 1.779 -2.529 1.00 0.00 N ATOM 783 CA GLU A 55 4.533 2.807 -2.680 1.00 0.00 C ATOM 784 C GLU A 55 4.688 3.186 -4.148 1.00 0.00 C ATOM 785 O GLU A 55 4.537 4.333 -4.520 1.00 0.00 O ATOM 786 CB GLU A 55 5.802 2.155 -2.145 1.00 0.00 C ATOM 787 CG GLU A 55 5.733 2.065 -0.619 1.00 0.00 C ATOM 788 CD GLU A 55 6.931 2.797 -0.012 1.00 0.00 C ATOM 789 OE1 GLU A 55 7.055 3.987 -0.250 1.00 0.00 O ATOM 790 OE2 GLU A 55 7.704 2.156 0.679 1.00 0.00 O ATOM 0 H GLU A 55 3.749 0.911 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 55 4.303 3.725 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.919 1.159 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.675 2.735 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.803 2.506 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.733 1.021 -0.305 1.00 0.00 H new ATOM 797 N LEU A 56 4.961 2.235 -4.991 1.00 0.00 N ATOM 798 CA LEU A 56 5.090 2.559 -6.438 1.00 0.00 C ATOM 799 C LEU A 56 3.775 3.192 -6.914 1.00 0.00 C ATOM 800 O LEU A 56 3.715 3.833 -7.944 1.00 0.00 O ATOM 801 CB LEU A 56 5.354 1.220 -7.136 1.00 0.00 C ATOM 802 CG LEU A 56 6.697 0.651 -6.661 1.00 0.00 C ATOM 803 CD1 LEU A 56 6.590 -0.869 -6.530 1.00 0.00 C ATOM 804 CD2 LEU A 56 7.800 0.996 -7.675 1.00 0.00 C ATOM 0 H LEU A 56 5.100 1.255 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 56 5.892 3.265 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.551 0.518 -6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.367 1.358 -8.217 1.00 0.00 H new ATOM 0 HG LEU A 56 6.947 1.087 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.544 -1.273 -6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.814 -1.118 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.335 -1.301 -7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.751 0.589 -7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.550 0.565 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.882 2.079 -7.769 1.00 0.00 H new ATOM 816 N SER A 57 2.725 3.024 -6.145 1.00 0.00 N ATOM 817 CA SER A 57 1.404 3.617 -6.506 1.00 0.00 C ATOM 818 C SER A 57 1.260 5.001 -5.863 1.00 0.00 C ATOM 819 O SER A 57 0.685 5.908 -6.430 1.00 0.00 O ATOM 820 CB SER A 57 0.372 2.659 -5.919 1.00 0.00 C ATOM 821 OG SER A 57 -0.828 3.372 -5.660 1.00 0.00 O ATOM 0 H SER A 57 2.731 2.495 -5.273 1.00 0.00 H new ATOM 0 HA SER A 57 1.286 3.743 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.181 1.841 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.752 2.215 -4.999 1.00 0.00 H new ATOM 0 HG SER A 57 -1.168 3.754 -6.496 1.00 0.00 H new ATOM 827 N ASP A 58 1.781 5.162 -4.674 1.00 0.00 N ATOM 828 CA ASP A 58 1.686 6.474 -3.973 1.00 0.00 C ATOM 829 C ASP A 58 2.627 7.491 -4.624 1.00 0.00 C ATOM 830 O ASP A 58 3.810 7.516 -4.354 1.00 0.00 O ATOM 831 CB ASP A 58 2.125 6.187 -2.538 1.00 0.00 C ATOM 832 CG ASP A 58 1.079 6.736 -1.564 1.00 0.00 C ATOM 833 OD1 ASP A 58 0.186 7.434 -2.015 1.00 0.00 O ATOM 834 OD2 ASP A 58 1.193 6.453 -0.382 1.00 0.00 O ATOM 0 H ASP A 58 2.272 4.433 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 58 0.681 6.894 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.246 5.114 -2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.094 6.646 -2.344 1.00 0.00 H new ATOM 839 N ILE A 59 2.113 8.328 -5.481 1.00 0.00 N ATOM 840 CA ILE A 59 2.979 9.342 -6.147 1.00 0.00 C ATOM 841 C ILE A 59 3.383 10.424 -5.145 1.00 0.00 C ATOM 842 O ILE A 59 4.434 11.026 -5.253 1.00 0.00 O ATOM 843 CB ILE A 59 2.106 9.933 -7.252 1.00 0.00 C ATOM 844 CG1 ILE A 59 1.681 8.817 -8.210 1.00 0.00 C ATOM 845 CG2 ILE A 59 2.902 10.991 -8.015 1.00 0.00 C ATOM 846 CD1 ILE A 59 2.924 8.148 -8.800 1.00 0.00 C ATOM 0 H ILE A 59 1.129 8.354 -5.750 1.00 0.00 H new ATOM 0 HA ILE A 59 3.901 8.912 -6.540 1.00 0.00 H new ATOM 0 HB ILE A 59 1.220 10.394 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.075 8.081 -7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.061 9.225 -9.008 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.281 11.414 -8.804 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.207 11.782 -7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.787 10.533 -8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.621 7.354 -9.482 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.512 8.888 -9.343 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.526 7.725 -7.996 1.00 0.00 H new ATOM 858 N ASP A 60 2.556 10.673 -4.167 1.00 0.00 N ATOM 859 CA ASP A 60 2.894 11.714 -3.152 1.00 0.00 C ATOM 860 C ASP A 60 3.151 11.049 -1.799 1.00 0.00 C ATOM 861 O ASP A 60 3.707 11.646 -0.899 1.00 0.00 O ATOM 862 CB ASP A 60 1.685 12.663 -3.064 1.00 0.00 C ATOM 863 CG ASP A 60 0.699 12.419 -4.215 1.00 0.00 C ATOM 864 OD1 ASP A 60 1.044 12.736 -5.341 1.00 0.00 O ATOM 865 OD2 ASP A 60 -0.382 11.921 -3.947 1.00 0.00 O ATOM 0 H ASP A 60 1.662 10.202 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 60 3.793 12.264 -3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.177 12.520 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.029 13.697 -3.090 1.00 0.00 H new ATOM 870 N HIS A 61 2.753 9.814 -1.656 1.00 0.00 N ATOM 871 CA HIS A 61 2.977 9.089 -0.371 1.00 0.00 C ATOM 872 C HIS A 61 2.290 9.803 0.798 1.00 0.00 C ATOM 873 O HIS A 61 2.875 9.995 1.845 1.00 0.00 O ATOM 874 CB HIS A 61 4.496 9.069 -0.177 1.00 0.00 C ATOM 875 CG HIS A 61 5.117 8.142 -1.185 1.00 0.00 C ATOM 876 ND1 HIS A 61 5.079 6.764 -1.044 1.00 0.00 N ATOM 877 CD2 HIS A 61 5.796 8.380 -2.355 1.00 0.00 C ATOM 878 CE1 HIS A 61 5.717 6.230 -2.102 1.00 0.00 C ATOM 879 NE2 HIS A 61 6.174 7.171 -2.932 1.00 0.00 N ATOM 0 H HIS A 61 2.279 9.272 -2.379 1.00 0.00 H new ATOM 0 HA HIS A 61 2.556 8.084 -0.401 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.902 10.074 -0.293 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.740 8.741 0.833 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.005 9.357 -2.765 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.844 5.169 -2.260 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.689 7.033 -3.802 1.00 0.00 H new ATOM 887 N ASP A 62 1.048 10.173 0.640 1.00 0.00 N ATOM 888 CA ASP A 62 0.326 10.845 1.761 1.00 0.00 C ATOM 889 C ASP A 62 -0.516 9.804 2.492 1.00 0.00 C ATOM 890 O ASP A 62 -1.531 10.112 3.083 1.00 0.00 O ATOM 891 CB ASP A 62 -0.591 11.891 1.115 1.00 0.00 C ATOM 892 CG ASP A 62 0.087 12.512 -0.104 1.00 0.00 C ATOM 893 OD1 ASP A 62 1.282 12.750 -0.039 1.00 0.00 O ATOM 894 OD2 ASP A 62 -0.603 12.737 -1.085 1.00 0.00 O ATOM 0 H ASP A 62 0.503 10.040 -0.212 1.00 0.00 H new ATOM 0 HA ASP A 62 1.010 11.308 2.472 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.531 11.426 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.834 12.668 1.840 1.00 0.00 H new ATOM 899 N GLY A 63 -0.114 8.566 2.430 1.00 0.00 N ATOM 900 CA GLY A 63 -0.907 7.501 3.093 1.00 0.00 C ATOM 901 C GLY A 63 -2.273 7.439 2.416 1.00 0.00 C ATOM 902 O GLY A 63 -3.267 7.100 3.025 1.00 0.00 O ATOM 0 H GLY A 63 0.728 8.248 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.398 6.541 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.018 7.715 4.156 1.00 0.00 H new ATOM 906 N MET A 64 -2.327 7.778 1.150 1.00 0.00 N ATOM 907 CA MET A 64 -3.630 7.753 0.421 1.00 0.00 C ATOM 908 C MET A 64 -3.408 7.459 -1.066 1.00 0.00 C ATOM 909 O MET A 64 -2.328 7.645 -1.592 1.00 0.00 O ATOM 910 CB MET A 64 -4.208 9.161 0.568 1.00 0.00 C ATOM 911 CG MET A 64 -4.602 9.433 2.016 1.00 0.00 C ATOM 912 SD MET A 64 -4.892 11.205 2.236 1.00 0.00 S ATOM 913 CE MET A 64 -6.606 11.083 2.802 1.00 0.00 C ATOM 0 H MET A 64 -1.525 8.070 0.592 1.00 0.00 H new ATOM 0 HA MET A 64 -4.290 6.983 0.820 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.473 9.897 0.241 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.079 9.271 -0.078 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.501 8.872 2.272 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.813 9.096 2.689 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.995 12.081 3.002 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.211 10.605 2.031 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.646 10.489 3.715 1.00 0.00 H new ATOM 923 N LEU A 65 -4.433 7.028 -1.751 1.00 0.00 N ATOM 924 CA LEU A 65 -4.298 6.750 -3.210 1.00 0.00 C ATOM 925 C LEU A 65 -5.425 7.456 -3.969 1.00 0.00 C ATOM 926 O LEU A 65 -6.546 6.990 -4.002 1.00 0.00 O ATOM 927 CB LEU A 65 -4.430 5.231 -3.353 1.00 0.00 C ATOM 928 CG LEU A 65 -3.090 4.557 -3.050 1.00 0.00 C ATOM 929 CD1 LEU A 65 -3.158 3.086 -3.470 1.00 0.00 C ATOM 930 CD2 LEU A 65 -1.972 5.254 -3.830 1.00 0.00 C ATOM 0 H LEU A 65 -5.360 6.856 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.351 7.107 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.196 4.859 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.752 4.979 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.883 4.628 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.205 2.602 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.952 2.586 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.366 3.022 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.020 4.771 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.177 5.186 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.923 6.303 -3.536 1.00 0.00 H new ATOM 942 N ASP A 66 -5.144 8.581 -4.571 1.00 0.00 N ATOM 943 CA ASP A 66 -6.215 9.306 -5.314 1.00 0.00 C ATOM 944 C ASP A 66 -6.606 8.528 -6.573 1.00 0.00 C ATOM 945 O ASP A 66 -5.876 7.677 -7.041 1.00 0.00 O ATOM 946 CB ASP A 66 -5.616 10.669 -5.672 1.00 0.00 C ATOM 947 CG ASP A 66 -4.534 10.502 -6.740 1.00 0.00 C ATOM 948 OD1 ASP A 66 -4.832 9.931 -7.776 1.00 0.00 O ATOM 949 OD2 ASP A 66 -3.425 10.954 -6.507 1.00 0.00 O ATOM 0 H ASP A 66 -4.226 9.026 -4.581 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.123 9.417 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.398 11.335 -6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.191 11.134 -4.782 1.00 0.00 H new ATOM 954 N ARG A 67 -7.761 8.809 -7.109 1.00 0.00 N ATOM 955 CA ARG A 67 -8.233 8.086 -8.334 1.00 0.00 C ATOM 956 C ARG A 67 -7.077 7.754 -9.288 1.00 0.00 C ATOM 957 O ARG A 67 -7.006 6.668 -9.828 1.00 0.00 O ATOM 958 CB ARG A 67 -9.228 9.034 -9.015 1.00 0.00 C ATOM 959 CG ARG A 67 -8.815 10.494 -8.796 1.00 0.00 C ATOM 960 CD ARG A 67 -9.452 11.371 -9.875 1.00 0.00 C ATOM 961 NE ARG A 67 -10.904 11.386 -9.548 1.00 0.00 N ATOM 962 CZ ARG A 67 -11.451 12.461 -9.050 1.00 0.00 C ATOM 963 NH1 ARG A 67 -11.166 12.833 -7.832 1.00 0.00 N ATOM 964 NH2 ARG A 67 -12.284 13.163 -9.770 1.00 0.00 N ATOM 0 H ARG A 67 -8.406 9.513 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.686 7.131 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.272 8.819 -10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.228 8.869 -8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.130 10.828 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.729 10.585 -8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.034 12.378 -9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.275 10.964 -10.870 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.472 10.555 -9.713 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.516 12.284 -7.270 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.593 13.673 -7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.507 12.871 -10.722 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.712 14.003 -9.381 1.00 0.00 H new ATOM 978 N ASP A 68 -6.179 8.672 -9.508 1.00 0.00 N ATOM 979 CA ASP A 68 -5.045 8.390 -10.440 1.00 0.00 C ATOM 980 C ASP A 68 -3.950 7.602 -9.720 1.00 0.00 C ATOM 981 O ASP A 68 -3.310 6.740 -10.292 1.00 0.00 O ATOM 982 CB ASP A 68 -4.527 9.765 -10.866 1.00 0.00 C ATOM 983 CG ASP A 68 -4.497 9.846 -12.393 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.306 9.181 -13.019 1.00 0.00 O ATOM 985 OD2 ASP A 68 -3.667 10.575 -12.912 1.00 0.00 O ATOM 0 H ASP A 68 -6.178 9.601 -9.087 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.355 7.790 -11.296 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.168 10.548 -10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.528 9.931 -10.462 1.00 0.00 H new ATOM 990 N GLU A 69 -3.739 7.885 -8.469 1.00 0.00 N ATOM 991 CA GLU A 69 -2.698 7.152 -7.699 1.00 0.00 C ATOM 992 C GLU A 69 -3.171 5.724 -7.451 1.00 0.00 C ATOM 993 O GLU A 69 -2.430 4.772 -7.598 1.00 0.00 O ATOM 994 CB GLU A 69 -2.580 7.915 -6.382 1.00 0.00 C ATOM 995 CG GLU A 69 -1.175 7.740 -5.811 1.00 0.00 C ATOM 996 CD GLU A 69 -1.000 8.671 -4.608 1.00 0.00 C ATOM 997 OE1 GLU A 69 -1.973 8.884 -3.903 1.00 0.00 O ATOM 998 OE2 GLU A 69 0.101 9.158 -4.412 1.00 0.00 O ATOM 0 H GLU A 69 -4.245 8.597 -7.942 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.742 7.095 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.788 8.973 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.320 7.549 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.018 6.704 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.429 7.967 -6.573 1.00 0.00 H new ATOM 1005 N PHE A 70 -4.413 5.573 -7.090 1.00 0.00 N ATOM 1006 CA PHE A 70 -4.960 4.215 -6.845 1.00 0.00 C ATOM 1007 C PHE A 70 -4.911 3.419 -8.147 1.00 0.00 C ATOM 1008 O PHE A 70 -4.955 2.204 -8.151 1.00 0.00 O ATOM 1009 CB PHE A 70 -6.404 4.452 -6.407 1.00 0.00 C ATOM 1010 CG PHE A 70 -7.012 3.150 -5.954 1.00 0.00 C ATOM 1011 CD1 PHE A 70 -6.870 2.737 -4.623 1.00 0.00 C ATOM 1012 CD2 PHE A 70 -7.716 2.357 -6.864 1.00 0.00 C ATOM 1013 CE1 PHE A 70 -7.436 1.528 -4.205 1.00 0.00 C ATOM 1014 CE2 PHE A 70 -8.281 1.148 -6.445 1.00 0.00 C ATOM 1015 CZ PHE A 70 -8.140 0.734 -5.116 1.00 0.00 C ATOM 0 H PHE A 70 -5.075 6.337 -6.954 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.402 3.653 -6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.435 5.181 -5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.982 4.868 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.325 3.351 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.824 2.677 -7.890 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.329 1.208 -3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.826 0.534 -7.147 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.575 -0.200 -4.793 1.00 0.00 H new ATOM 1025 N ALA A 71 -4.810 4.104 -9.252 1.00 0.00 N ATOM 1026 CA ALA A 71 -4.747 3.402 -10.565 1.00 0.00 C ATOM 1027 C ALA A 71 -3.394 2.707 -10.713 1.00 0.00 C ATOM 1028 O ALA A 71 -3.305 1.579 -11.156 1.00 0.00 O ATOM 1029 CB ALA A 71 -4.897 4.508 -11.612 1.00 0.00 C ATOM 0 H ALA A 71 -4.768 5.122 -9.303 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.517 2.638 -10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.861 4.071 -12.610 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.852 5.015 -11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.085 5.227 -11.501 1.00 0.00 H new ATOM 1035 N VAL A 72 -2.342 3.375 -10.334 1.00 0.00 N ATOM 1036 CA VAL A 72 -0.990 2.758 -10.443 1.00 0.00 C ATOM 1037 C VAL A 72 -0.917 1.514 -9.555 1.00 0.00 C ATOM 1038 O VAL A 72 -0.229 0.556 -9.853 1.00 0.00 O ATOM 1039 CB VAL A 72 -0.024 3.837 -9.947 1.00 0.00 C ATOM 1040 CG1 VAL A 72 1.417 3.330 -10.059 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -0.185 5.099 -10.802 1.00 0.00 C ATOM 0 H VAL A 72 -2.359 4.321 -9.953 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.753 2.440 -11.458 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.247 4.069 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.102 4.100 -9.705 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.535 2.433 -9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.640 3.096 -11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.503 5.868 -10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.037 4.864 -11.843 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.209 5.464 -10.723 1.00 0.00 H new ATOM 1051 N ALA A 73 -1.629 1.525 -8.463 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.611 0.351 -7.545 1.00 0.00 C ATOM 1053 C ALA A 73 -2.665 -0.677 -7.959 1.00 0.00 C ATOM 1054 O ALA A 73 -2.812 -1.704 -7.337 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.938 0.932 -6.174 1.00 0.00 C ATOM 0 H ALA A 73 -2.224 2.298 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.653 -0.169 -7.558 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.946 0.133 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.184 1.671 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.918 1.408 -6.205 1.00 0.00 H new ATOM 1061 N MET A 74 -3.401 -0.421 -9.001 1.00 0.00 N ATOM 1062 CA MET A 74 -4.433 -1.412 -9.423 1.00 0.00 C ATOM 1063 C MET A 74 -3.827 -2.408 -10.407 1.00 0.00 C ATOM 1064 O MET A 74 -4.024 -3.602 -10.297 1.00 0.00 O ATOM 1065 CB MET A 74 -5.533 -0.588 -10.097 1.00 0.00 C ATOM 1066 CG MET A 74 -6.453 0.015 -9.035 1.00 0.00 C ATOM 1067 SD MET A 74 -7.724 -1.191 -8.589 1.00 0.00 S ATOM 1068 CE MET A 74 -6.834 -1.948 -7.209 1.00 0.00 C ATOM 0 H MET A 74 -3.337 0.420 -9.575 1.00 0.00 H new ATOM 0 HA MET A 74 -4.821 -1.988 -8.583 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.089 0.205 -10.699 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.109 -1.218 -10.775 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.876 0.294 -8.154 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.917 0.926 -9.414 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.533 -2.167 -6.402 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.363 -2.873 -7.543 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.068 -1.261 -6.849 1.00 0.00 H new ATOM 1078 N PHE A 75 -3.074 -1.933 -11.356 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.444 -2.869 -12.324 1.00 0.00 C ATOM 1080 C PHE A 75 -1.248 -3.531 -11.641 1.00 0.00 C ATOM 1081 O PHE A 75 -0.810 -4.601 -12.012 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.013 -2.005 -13.517 1.00 0.00 C ATOM 1083 CG PHE A 75 -0.671 -1.371 -13.244 1.00 0.00 C ATOM 1084 CD1 PHE A 75 0.502 -2.086 -13.505 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -0.603 -0.074 -12.728 1.00 0.00 C ATOM 1086 CE1 PHE A 75 1.746 -1.504 -13.250 1.00 0.00 C ATOM 1087 CE2 PHE A 75 0.641 0.510 -12.472 1.00 0.00 C ATOM 1088 CZ PHE A 75 1.817 -0.205 -12.733 1.00 0.00 C ATOM 0 H PHE A 75 -2.868 -0.945 -11.503 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.112 -3.662 -12.659 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.958 -2.617 -14.417 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.758 -1.231 -13.703 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.446 -3.088 -13.904 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.510 0.476 -12.527 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.652 -2.056 -13.452 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.695 1.512 -12.073 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.778 0.246 -12.535 1.00 0.00 H new ATOM 1098 N LEU A 76 -0.732 -2.893 -10.624 1.00 0.00 N ATOM 1099 CA LEU A 76 0.421 -3.469 -9.883 1.00 0.00 C ATOM 1100 C LEU A 76 -0.070 -4.586 -8.961 1.00 0.00 C ATOM 1101 O LEU A 76 0.675 -5.465 -8.578 1.00 0.00 O ATOM 1102 CB LEU A 76 0.988 -2.302 -9.073 1.00 0.00 C ATOM 1103 CG LEU A 76 2.259 -1.783 -9.748 1.00 0.00 C ATOM 1104 CD1 LEU A 76 2.805 -0.590 -8.961 1.00 0.00 C ATOM 1105 CD2 LEU A 76 3.309 -2.896 -9.778 1.00 0.00 C ATOM 0 H LEU A 76 -1.063 -1.994 -10.275 1.00 0.00 H new ATOM 0 HA LEU A 76 1.174 -3.904 -10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.250 -1.503 -9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.209 -2.625 -8.056 1.00 0.00 H new ATOM 0 HG LEU A 76 2.028 -1.471 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.711 -0.220 -9.442 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.057 0.203 -8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.037 -0.901 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.216 -2.528 -10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.539 -3.207 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.921 -3.747 -10.338 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.327 -4.556 -8.607 1.00 0.00 N ATOM 1118 CA VAL A 77 -1.882 -5.613 -7.716 1.00 0.00 C ATOM 1119 C VAL A 77 -2.451 -6.761 -8.545 1.00 0.00 C ATOM 1120 O VAL A 77 -2.322 -7.910 -8.185 1.00 0.00 O ATOM 1121 CB VAL A 77 -2.987 -4.912 -6.912 1.00 0.00 C ATOM 1122 CG1 VAL A 77 -3.976 -5.950 -6.364 1.00 0.00 C ATOM 1123 CG2 VAL A 77 -2.355 -4.152 -5.743 1.00 0.00 C ATOM 0 H VAL A 77 -1.995 -3.842 -8.898 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.124 -6.049 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.519 -4.218 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.756 -5.444 -5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.427 -6.496 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.448 -6.648 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.136 -3.653 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.823 -4.852 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.656 -3.409 -6.127 1.00 0.00 H new ATOM 1133 N TYR A 78 -3.085 -6.459 -9.644 1.00 0.00 N ATOM 1134 CA TYR A 78 -3.670 -7.541 -10.487 1.00 0.00 C ATOM 1135 C TYR A 78 -2.567 -8.317 -11.213 1.00 0.00 C ATOM 1136 O TYR A 78 -2.751 -9.453 -11.610 1.00 0.00 O ATOM 1137 CB TYR A 78 -4.567 -6.817 -11.488 1.00 0.00 C ATOM 1138 CG TYR A 78 -5.996 -6.861 -11.007 1.00 0.00 C ATOM 1139 CD1 TYR A 78 -6.609 -8.092 -10.748 1.00 0.00 C ATOM 1140 CD2 TYR A 78 -6.710 -5.671 -10.822 1.00 0.00 C ATOM 1141 CE1 TYR A 78 -7.937 -8.134 -10.304 1.00 0.00 C ATOM 1142 CE2 TYR A 78 -8.037 -5.713 -10.377 1.00 0.00 C ATOM 1143 CZ TYR A 78 -8.650 -6.945 -10.119 1.00 0.00 C ATOM 1144 OH TYR A 78 -9.959 -6.986 -9.683 1.00 0.00 O ATOM 0 H TYR A 78 -3.224 -5.511 -9.995 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.222 -8.270 -9.894 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.242 -5.783 -11.602 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.488 -7.286 -12.469 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.058 -9.010 -10.890 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.237 -4.721 -11.022 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.410 -9.084 -10.105 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.588 -4.795 -10.233 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.307 -6.073 -9.606 1.00 0.00 H new ATOM 1154 N CYS A 79 -1.422 -7.717 -11.390 1.00 0.00 N ATOM 1155 CA CYS A 79 -0.317 -8.424 -12.091 1.00 0.00 C ATOM 1156 C CYS A 79 0.432 -9.323 -11.110 1.00 0.00 C ATOM 1157 O CYS A 79 1.156 -10.217 -11.503 1.00 0.00 O ATOM 1158 CB CYS A 79 0.599 -7.317 -12.615 1.00 0.00 C ATOM 1159 SG CYS A 79 0.429 -7.194 -14.412 1.00 0.00 S ATOM 0 H CYS A 79 -1.205 -6.770 -11.080 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.679 -9.062 -12.897 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.341 -6.366 -12.149 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.634 -7.532 -12.351 1.00 0.00 H new ATOM 0 HG CYS A 79 1.590 -6.943 -14.942 1.00 0.00 H new ATOM 1165 N ALA A 80 0.248 -9.113 -9.835 1.00 0.00 N ATOM 1166 CA ALA A 80 0.940 -9.975 -8.840 1.00 0.00 C ATOM 1167 C ALA A 80 0.066 -11.193 -8.540 1.00 0.00 C ATOM 1168 O ALA A 80 0.483 -12.132 -7.892 1.00 0.00 O ATOM 1169 CB ALA A 80 1.111 -9.108 -7.591 1.00 0.00 C ATOM 0 H ALA A 80 -0.349 -8.385 -9.442 1.00 0.00 H new ATOM 0 HA ALA A 80 1.903 -10.339 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.616 -9.683 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.707 -8.229 -7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.132 -8.793 -7.230 1.00 0.00 H new ATOM 1175 N LEU A 81 -1.149 -11.176 -9.015 1.00 0.00 N ATOM 1176 CA LEU A 81 -2.070 -12.322 -8.771 1.00 0.00 C ATOM 1177 C LEU A 81 -1.934 -13.332 -9.898 1.00 0.00 C ATOM 1178 O LEU A 81 -1.891 -14.528 -9.683 1.00 0.00 O ATOM 1179 CB LEU A 81 -3.481 -11.726 -8.787 1.00 0.00 C ATOM 1180 CG LEU A 81 -3.481 -10.337 -8.156 1.00 0.00 C ATOM 1181 CD1 LEU A 81 -4.910 -9.949 -7.781 1.00 0.00 C ATOM 1182 CD2 LEU A 81 -2.603 -10.339 -6.903 1.00 0.00 C ATOM 0 H LEU A 81 -1.545 -10.414 -9.565 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.851 -12.828 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.845 -11.666 -9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.164 -12.379 -8.244 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.084 -9.615 -8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.911 -8.957 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.532 -9.941 -8.676 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.308 -10.672 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.606 -9.345 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.994 -11.061 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.583 -10.612 -7.174 1.00 0.00 H new ATOM 1194 N GLU A 82 -1.874 -12.853 -11.105 1.00 0.00 N ATOM 1195 CA GLU A 82 -1.751 -13.772 -12.262 1.00 0.00 C ATOM 1196 C GLU A 82 -0.356 -14.385 -12.297 1.00 0.00 C ATOM 1197 O GLU A 82 -0.196 -15.588 -12.354 1.00 0.00 O ATOM 1198 CB GLU A 82 -1.979 -12.894 -13.492 1.00 0.00 C ATOM 1199 CG GLU A 82 -3.450 -12.478 -13.558 1.00 0.00 C ATOM 1200 CD GLU A 82 -4.179 -13.344 -14.587 1.00 0.00 C ATOM 1201 OE1 GLU A 82 -3.561 -13.701 -15.576 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -5.343 -13.636 -14.367 1.00 0.00 O ATOM 0 H GLU A 82 -1.905 -11.861 -11.340 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.462 -14.597 -12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.342 -12.011 -13.444 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.703 -13.437 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.915 -12.589 -12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.530 -11.426 -13.831 1.00 0.00 H new ATOM 1209 N LYS A 83 0.653 -13.565 -12.264 1.00 0.00 N ATOM 1210 CA LYS A 83 2.045 -14.104 -12.298 1.00 0.00 C ATOM 1211 C LYS A 83 3.077 -12.972 -12.300 1.00 0.00 C ATOM 1212 O LYS A 83 4.199 -13.143 -11.867 1.00 0.00 O ATOM 1213 CB LYS A 83 2.129 -14.895 -13.601 1.00 0.00 C ATOM 1214 CG LYS A 83 2.994 -16.138 -13.393 1.00 0.00 C ATOM 1215 CD LYS A 83 3.434 -16.686 -14.753 1.00 0.00 C ATOM 1216 CE LYS A 83 4.897 -16.314 -15.002 1.00 0.00 C ATOM 1217 NZ LYS A 83 5.651 -16.954 -13.889 1.00 0.00 N ATOM 0 H LYS A 83 0.579 -12.549 -12.215 1.00 0.00 H new ATOM 0 HA LYS A 83 2.259 -14.716 -11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.130 -15.185 -13.927 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.553 -14.273 -14.389 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.867 -15.890 -12.789 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.434 -16.897 -12.847 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.314 -17.769 -14.777 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.804 -16.278 -15.543 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.238 -16.679 -15.971 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.035 -15.233 -15.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.533 -17.363 -14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.875 -16.241 -13.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.072 -17.706 -13.465 1.00 0.00 H new ATOM 1231 N GLU A 84 2.715 -11.826 -12.805 1.00 0.00 N ATOM 1232 CA GLU A 84 3.687 -10.695 -12.856 1.00 0.00 C ATOM 1233 C GLU A 84 4.090 -10.257 -11.446 1.00 0.00 C ATOM 1234 O GLU A 84 3.278 -9.761 -10.694 1.00 0.00 O ATOM 1235 CB GLU A 84 2.946 -9.570 -13.577 1.00 0.00 C ATOM 1236 CG GLU A 84 3.534 -9.396 -14.979 1.00 0.00 C ATOM 1237 CD GLU A 84 3.885 -7.924 -15.205 1.00 0.00 C ATOM 1238 OE1 GLU A 84 3.205 -7.081 -14.643 1.00 0.00 O ATOM 1239 OE2 GLU A 84 4.828 -7.665 -15.935 1.00 0.00 O ATOM 0 H GLU A 84 1.790 -11.622 -13.184 1.00 0.00 H new ATOM 0 HA GLU A 84 4.609 -10.974 -13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.883 -9.802 -13.642 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.036 -8.641 -13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.424 -10.015 -15.091 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.817 -9.730 -15.730 1.00 0.00 H new ATOM 1246 N PRO A 85 5.346 -10.444 -11.142 1.00 0.00 N ATOM 1247 CA PRO A 85 5.869 -10.054 -9.811 1.00 0.00 C ATOM 1248 C PRO A 85 5.899 -8.530 -9.690 1.00 0.00 C ATOM 1249 O PRO A 85 5.769 -7.820 -10.666 1.00 0.00 O ATOM 1250 CB PRO A 85 7.276 -10.644 -9.789 1.00 0.00 C ATOM 1251 CG PRO A 85 7.661 -10.775 -11.228 1.00 0.00 C ATOM 1252 CD PRO A 85 6.389 -11.025 -11.996 1.00 0.00 C ATOM 0 HA PRO A 85 5.261 -10.412 -8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.968 -9.995 -9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.291 -11.611 -9.286 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.154 -9.869 -11.581 1.00 0.00 H new ATOM 0 HG3 PRO A 85 8.365 -11.596 -11.367 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.414 -10.550 -12.977 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.224 -12.090 -12.161 1.00 0.00 H new ATOM 1260 N VAL A 86 6.055 -8.020 -8.500 1.00 0.00 N ATOM 1261 CA VAL A 86 6.075 -6.540 -8.328 1.00 0.00 C ATOM 1262 C VAL A 86 7.442 -6.063 -7.836 1.00 0.00 C ATOM 1263 O VAL A 86 7.891 -6.454 -6.777 1.00 0.00 O ATOM 1264 CB VAL A 86 5.012 -6.255 -7.270 1.00 0.00 C ATOM 1265 CG1 VAL A 86 5.114 -4.795 -6.829 1.00 0.00 C ATOM 1266 CG2 VAL A 86 3.623 -6.516 -7.853 1.00 0.00 C ATOM 0 H VAL A 86 6.169 -8.561 -7.643 1.00 0.00 H new ATOM 0 HA VAL A 86 5.882 -6.023 -9.268 1.00 0.00 H new ATOM 0 HB VAL A 86 5.171 -6.908 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.356 -4.589 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.103 -4.610 -6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.956 -4.143 -7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.866 -6.312 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.461 -5.865 -8.712 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.550 -7.557 -8.167 1.00 0.00 H new ATOM 1276 N PRO A 87 8.052 -5.213 -8.616 1.00 0.00 N ATOM 1277 CA PRO A 87 9.367 -4.658 -8.248 1.00 0.00 C ATOM 1278 C PRO A 87 9.174 -3.450 -7.331 1.00 0.00 C ATOM 1279 O PRO A 87 8.099 -3.215 -6.813 1.00 0.00 O ATOM 1280 CB PRO A 87 9.956 -4.227 -9.585 1.00 0.00 C ATOM 1281 CG PRO A 87 8.778 -3.970 -10.478 1.00 0.00 C ATOM 1282 CD PRO A 87 7.585 -4.698 -9.904 1.00 0.00 C ATOM 0 HA PRO A 87 10.006 -5.362 -7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.567 -3.331 -9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.600 -5.003 -9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.576 -2.901 -10.543 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.985 -4.318 -11.490 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.734 -4.028 -9.778 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.260 -5.506 -10.560 1.00 0.00 H new ATOM 1290 N MET A 88 10.201 -2.679 -7.133 1.00 0.00 N ATOM 1291 CA MET A 88 10.072 -1.476 -6.255 1.00 0.00 C ATOM 1292 C MET A 88 10.354 -0.219 -7.060 1.00 0.00 C ATOM 1293 O MET A 88 10.503 0.856 -6.515 1.00 0.00 O ATOM 1294 CB MET A 88 11.151 -1.585 -5.176 1.00 0.00 C ATOM 1295 CG MET A 88 11.876 -2.939 -5.234 1.00 0.00 C ATOM 1296 SD MET A 88 12.992 -3.090 -3.817 1.00 0.00 S ATOM 1297 CE MET A 88 14.032 -4.414 -4.484 1.00 0.00 C ATOM 0 H MET A 88 11.126 -2.825 -7.538 1.00 0.00 H new ATOM 0 HA MET A 88 9.069 -1.426 -5.832 1.00 0.00 H new ATOM 0 HB2 MET A 88 11.874 -0.779 -5.301 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.698 -1.456 -4.193 1.00 0.00 H new ATOM 0 HG2 MET A 88 11.150 -3.752 -5.227 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.439 -3.022 -6.164 1.00 0.00 H new ATOM 0 HE1 MET A 88 14.804 -4.670 -3.759 1.00 0.00 H new ATOM 0 HE2 MET A 88 13.418 -5.292 -4.686 1.00 0.00 H new ATOM 0 HE3 MET A 88 14.500 -4.078 -5.409 1.00 0.00 H new ATOM 1307 N SER A 89 10.471 -0.340 -8.344 1.00 0.00 N ATOM 1308 CA SER A 89 10.792 0.856 -9.150 1.00 0.00 C ATOM 1309 C SER A 89 9.554 1.446 -9.791 1.00 0.00 C ATOM 1310 O SER A 89 8.915 0.844 -10.629 1.00 0.00 O ATOM 1311 CB SER A 89 11.762 0.370 -10.211 1.00 0.00 C ATOM 1312 OG SER A 89 11.072 0.202 -11.443 1.00 0.00 O ATOM 0 H SER A 89 10.359 -1.208 -8.867 1.00 0.00 H new ATOM 0 HA SER A 89 11.216 1.648 -8.532 1.00 0.00 H new ATOM 0 HB2 SER A 89 12.574 1.087 -10.332 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.212 -0.573 -9.903 1.00 0.00 H new ATOM 0 HG SER A 89 10.171 -0.143 -11.269 1.00 0.00 H new ATOM 1318 N LEU A 90 9.233 2.638 -9.407 1.00 0.00 N ATOM 1319 CA LEU A 90 8.062 3.323 -9.993 1.00 0.00 C ATOM 1320 C LEU A 90 8.592 4.355 -11.004 1.00 0.00 C ATOM 1321 O LEU A 90 8.799 5.506 -10.686 1.00 0.00 O ATOM 1322 CB LEU A 90 7.353 3.952 -8.781 1.00 0.00 C ATOM 1323 CG LEU A 90 6.775 5.322 -9.122 1.00 0.00 C ATOM 1324 CD1 LEU A 90 6.012 5.251 -10.445 1.00 0.00 C ATOM 1325 CD2 LEU A 90 5.816 5.758 -8.011 1.00 0.00 C ATOM 0 H LEU A 90 9.738 3.175 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 90 7.364 2.687 -10.537 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.554 3.292 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.058 4.048 -7.955 1.00 0.00 H new ATOM 0 HG LEU A 90 7.589 6.041 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.602 6.233 -10.682 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.690 4.939 -11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.199 4.530 -10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.401 6.737 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.007 5.033 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.356 5.815 -7.066 1.00 0.00 H new ATOM 1337 N PRO A 91 8.833 3.878 -12.197 1.00 0.00 N ATOM 1338 CA PRO A 91 9.384 4.738 -13.283 1.00 0.00 C ATOM 1339 C PRO A 91 8.416 5.860 -13.664 1.00 0.00 C ATOM 1340 O PRO A 91 7.300 5.915 -13.188 1.00 0.00 O ATOM 1341 CB PRO A 91 9.583 3.759 -14.441 1.00 0.00 C ATOM 1342 CG PRO A 91 8.631 2.643 -14.153 1.00 0.00 C ATOM 1343 CD PRO A 91 8.612 2.503 -12.657 1.00 0.00 C ATOM 0 HA PRO A 91 10.302 5.247 -12.991 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.366 4.229 -15.400 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.612 3.402 -14.487 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.636 2.867 -14.538 1.00 0.00 H new ATOM 0 HG3 PRO A 91 8.956 1.718 -14.629 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.662 2.105 -12.300 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.392 1.829 -12.304 1.00 0.00 H new ATOM 1351 N PRO A 92 8.896 6.729 -14.514 1.00 0.00 N ATOM 1352 CA PRO A 92 8.087 7.885 -14.978 1.00 0.00 C ATOM 1353 C PRO A 92 6.947 7.419 -15.884 1.00 0.00 C ATOM 1354 O PRO A 92 6.030 8.161 -16.175 1.00 0.00 O ATOM 1355 CB PRO A 92 9.091 8.734 -15.754 1.00 0.00 C ATOM 1356 CG PRO A 92 10.151 7.774 -16.185 1.00 0.00 C ATOM 1357 CD PRO A 92 10.229 6.712 -15.122 1.00 0.00 C ATOM 0 HA PRO A 92 7.614 8.431 -14.162 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.622 9.216 -16.612 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.505 9.526 -15.130 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.906 7.336 -17.153 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.110 8.280 -16.297 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.462 5.736 -15.548 1.00 0.00 H new ATOM 0 HD3 PRO A 92 11.006 6.934 -14.390 1.00 0.00 H new ATOM 1365 N ALA A 93 6.988 6.194 -16.323 1.00 0.00 N ATOM 1366 CA ALA A 93 5.895 5.688 -17.194 1.00 0.00 C ATOM 1367 C ALA A 93 4.671 5.383 -16.333 1.00 0.00 C ATOM 1368 O ALA A 93 3.596 5.113 -16.831 1.00 0.00 O ATOM 1369 CB ALA A 93 6.446 4.409 -17.826 1.00 0.00 C ATOM 0 H ALA A 93 7.729 5.523 -16.117 1.00 0.00 H new ATOM 0 HA ALA A 93 5.591 6.407 -17.955 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.694 3.975 -18.485 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.341 4.644 -18.402 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.697 3.694 -17.042 1.00 0.00 H new ATOM 1375 N LEU A 94 4.833 5.426 -15.037 1.00 0.00 N ATOM 1376 CA LEU A 94 3.689 5.139 -14.134 1.00 0.00 C ATOM 1377 C LEU A 94 3.183 6.431 -13.492 1.00 0.00 C ATOM 1378 O LEU A 94 2.118 6.470 -12.907 1.00 0.00 O ATOM 1379 CB LEU A 94 4.255 4.201 -13.068 1.00 0.00 C ATOM 1380 CG LEU A 94 4.215 2.765 -13.584 1.00 0.00 C ATOM 1381 CD1 LEU A 94 2.764 2.285 -13.647 1.00 0.00 C ATOM 1382 CD2 LEU A 94 4.831 2.715 -14.984 1.00 0.00 C ATOM 0 H LEU A 94 5.711 5.648 -14.568 1.00 0.00 H new ATOM 0 HA LEU A 94 2.846 4.697 -14.665 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.279 4.484 -12.826 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.675 4.285 -12.149 1.00 0.00 H new ATOM 0 HG LEU A 94 4.780 2.119 -12.912 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.736 1.260 -14.016 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.324 2.325 -12.651 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.197 2.928 -14.320 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.805 1.691 -15.357 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.263 3.360 -15.655 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.865 3.058 -14.939 1.00 0.00 H new ATOM 1394 N VAL A 95 3.940 7.487 -13.589 1.00 0.00 N ATOM 1395 CA VAL A 95 3.504 8.771 -12.978 1.00 0.00 C ATOM 1396 C VAL A 95 2.554 9.512 -13.921 1.00 0.00 C ATOM 1397 O VAL A 95 2.813 9.624 -15.103 1.00 0.00 O ATOM 1398 CB VAL A 95 4.793 9.568 -12.781 1.00 0.00 C ATOM 1399 CG1 VAL A 95 5.834 8.691 -12.083 1.00 0.00 C ATOM 1400 CG2 VAL A 95 5.331 10.012 -14.143 1.00 0.00 C ATOM 0 H VAL A 95 4.842 7.516 -14.065 1.00 0.00 H new ATOM 0 HA VAL A 95 2.966 8.622 -12.042 1.00 0.00 H new ATOM 0 HB VAL A 95 4.587 10.445 -12.168 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.753 9.259 -11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.451 8.374 -11.113 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.040 7.813 -12.696 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.250 10.581 -14.003 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.536 9.135 -14.757 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.590 10.637 -14.641 1.00 0.00 H new ATOM 1410 N PRO A 96 1.481 9.999 -13.359 1.00 0.00 N ATOM 1411 CA PRO A 96 0.475 10.743 -14.155 1.00 0.00 C ATOM 1412 C PRO A 96 1.032 12.106 -14.572 1.00 0.00 C ATOM 1413 O PRO A 96 2.113 12.485 -14.165 1.00 0.00 O ATOM 1414 CB PRO A 96 -0.699 10.900 -13.190 1.00 0.00 C ATOM 1415 CG PRO A 96 -0.091 10.811 -11.828 1.00 0.00 C ATOM 1416 CD PRO A 96 1.107 9.906 -11.943 1.00 0.00 C ATOM 0 HA PRO A 96 0.193 10.236 -15.078 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.205 11.854 -13.335 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.443 10.118 -13.342 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.203 11.798 -11.471 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.808 10.413 -11.110 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.919 10.232 -11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.863 8.882 -11.660 1.00 0.00 H new ATOM 1424 N PRO A 97 0.270 12.798 -15.372 1.00 0.00 N ATOM 1425 CA PRO A 97 0.689 14.138 -15.854 1.00 0.00 C ATOM 1426 C PRO A 97 0.660 15.144 -14.702 1.00 0.00 C ATOM 1427 O PRO A 97 1.171 16.241 -14.809 1.00 0.00 O ATOM 1428 CB PRO A 97 -0.358 14.483 -16.910 1.00 0.00 C ATOM 1429 CG PRO A 97 -1.557 13.674 -16.534 1.00 0.00 C ATOM 1430 CD PRO A 97 -1.042 12.409 -15.901 1.00 0.00 C ATOM 0 HA PRO A 97 1.704 14.158 -16.251 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.584 15.549 -16.910 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.008 14.231 -17.911 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.193 14.223 -15.840 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.163 13.449 -17.412 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.705 12.057 -15.110 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.958 11.602 -16.629 1.00 0.00 H new ATOM 1438 N SER A 98 0.069 14.778 -13.599 1.00 0.00 N ATOM 1439 CA SER A 98 0.012 15.713 -12.441 1.00 0.00 C ATOM 1440 C SER A 98 1.399 15.851 -11.818 1.00 0.00 C ATOM 1441 O SER A 98 1.687 16.804 -11.122 1.00 0.00 O ATOM 1442 CB SER A 98 -0.967 15.073 -11.458 1.00 0.00 C ATOM 1443 OG SER A 98 -0.397 15.075 -10.156 1.00 0.00 O ATOM 0 H SER A 98 -0.377 13.873 -13.449 1.00 0.00 H new ATOM 0 HA SER A 98 -0.308 16.715 -12.728 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.909 15.622 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.194 14.052 -11.766 1.00 0.00 H new ATOM 0 HG SER A 98 -1.024 14.666 -9.524 1.00 0.00 H new ATOM 1449 N LYS A 99 2.266 14.912 -12.074 1.00 0.00 N ATOM 1450 CA LYS A 99 3.640 14.999 -11.510 1.00 0.00 C ATOM 1451 C LYS A 99 4.541 15.765 -12.481 1.00 0.00 C ATOM 1452 O LYS A 99 5.717 15.954 -12.238 1.00 0.00 O ATOM 1453 CB LYS A 99 4.107 13.549 -11.369 1.00 0.00 C ATOM 1454 CG LYS A 99 5.012 13.420 -10.143 1.00 0.00 C ATOM 1455 CD LYS A 99 6.300 12.688 -10.530 1.00 0.00 C ATOM 1456 CE LYS A 99 6.897 12.013 -9.294 1.00 0.00 C ATOM 1457 NZ LYS A 99 6.354 10.626 -9.310 1.00 0.00 N ATOM 0 H LYS A 99 2.082 14.089 -12.649 1.00 0.00 H new ATOM 0 HA LYS A 99 3.671 15.523 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.247 12.887 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.645 13.241 -12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.248 14.408 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.495 12.875 -9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.090 11.943 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.016 13.391 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.986 12.011 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.612 12.538 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.206 10.300 -8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.448 10.614 -9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.029 9.995 -9.787 1.00 0.00 H new ATOM 1471 N ARG A 100 3.992 16.212 -13.581 1.00 0.00 N ATOM 1472 CA ARG A 100 4.810 16.970 -14.570 1.00 0.00 C ATOM 1473 C ARG A 100 4.552 18.471 -14.425 1.00 0.00 C ATOM 1474 O ARG A 100 5.190 19.285 -15.063 1.00 0.00 O ATOM 1475 CB ARG A 100 4.336 16.473 -15.935 1.00 0.00 C ATOM 1476 CG ARG A 100 4.991 15.125 -16.241 1.00 0.00 C ATOM 1477 CD ARG A 100 4.587 14.100 -15.179 1.00 0.00 C ATOM 1478 NE ARG A 100 5.053 12.789 -15.715 1.00 0.00 N ATOM 1479 CZ ARG A 100 6.309 12.622 -16.033 1.00 0.00 C ATOM 1480 NH1 ARG A 100 7.189 12.369 -15.103 1.00 0.00 N ATOM 1481 NH2 ARG A 100 6.683 12.703 -17.281 1.00 0.00 N ATOM 0 H ARG A 100 3.013 16.084 -13.836 1.00 0.00 H new ATOM 0 HA ARG A 100 5.880 16.817 -14.429 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.251 16.372 -15.941 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.593 17.198 -16.707 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.687 14.778 -17.229 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.075 15.233 -16.261 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.052 14.322 -14.218 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.509 14.101 -15.019 1.00 0.00 H new ATOM 0 HE ARG A 100 4.391 12.022 -15.833 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.896 12.302 -14.128 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.170 12.239 -15.351 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.994 12.897 -18.008 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.664 12.573 -17.529 1.00 0.00 H new TER 1495 ARG A 100 ATOM 1496 N SER B 107 -0.879 6.990 7.985 1.00 0.00 N ATOM 1497 CA SER B 107 0.151 5.955 7.675 1.00 0.00 C ATOM 1498 C SER B 107 0.433 5.920 6.169 1.00 0.00 C ATOM 1499 O SER B 107 -0.418 5.567 5.377 1.00 0.00 O ATOM 1500 CB SER B 107 -0.456 4.626 8.133 1.00 0.00 C ATOM 1501 OG SER B 107 -1.644 4.876 8.874 1.00 0.00 O ATOM 0 HA SER B 107 1.098 6.162 8.174 1.00 0.00 H new ATOM 0 HB2 SER B 107 -0.679 3.999 7.269 1.00 0.00 H new ATOM 0 HB3 SER B 107 0.260 4.080 8.747 1.00 0.00 H new ATOM 0 HG SER B 107 -1.734 5.839 9.032 1.00 0.00 H new ATOM 1507 N THR B 108 1.623 6.280 5.770 1.00 0.00 N ATOM 1508 CA THR B 108 1.961 6.263 4.318 1.00 0.00 C ATOM 1509 C THR B 108 1.670 4.882 3.731 1.00 0.00 C ATOM 1510 O THR B 108 0.737 4.699 2.973 1.00 0.00 O ATOM 1511 CB THR B 108 3.460 6.567 4.256 1.00 0.00 C ATOM 1512 OG1 THR B 108 4.104 5.999 5.387 1.00 0.00 O ATOM 1513 CG2 THR B 108 3.679 8.081 4.248 1.00 0.00 C ATOM 0 H THR B 108 2.376 6.585 6.387 1.00 0.00 H new ATOM 0 HA THR B 108 1.376 6.984 3.747 1.00 0.00 H new ATOM 0 HB THR B 108 3.879 6.139 3.345 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.064 6.191 5.348 1.00 0.00 H new ATOM 0 HG21 THR B 108 4.747 8.294 4.204 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.186 8.515 3.378 1.00 0.00 H new ATOM 0 HG23 THR B 108 3.260 8.514 5.156 1.00 0.00 H new ATOM 1521 N ASN B 109 2.459 3.910 4.082 1.00 0.00 N ATOM 1522 CA ASN B 109 2.233 2.534 3.553 1.00 0.00 C ATOM 1523 C ASN B 109 1.541 1.675 4.616 1.00 0.00 C ATOM 1524 O ASN B 109 2.075 1.468 5.688 1.00 0.00 O ATOM 1525 CB ASN B 109 3.629 1.991 3.250 1.00 0.00 C ATOM 1526 CG ASN B 109 3.515 0.795 2.302 1.00 0.00 C ATOM 1527 OD1 ASN B 109 2.506 0.120 2.278 1.00 0.00 O ATOM 1528 ND2 ASN B 109 4.514 0.503 1.515 1.00 0.00 N ATOM 0 H ASN B 109 3.254 4.006 4.714 1.00 0.00 H new ATOM 0 HA ASN B 109 1.595 2.527 2.669 1.00 0.00 H new ATOM 0 HB2 ASN B 109 4.244 2.770 2.798 1.00 0.00 H new ATOM 0 HB3 ASN B 109 4.123 1.691 4.174 1.00 0.00 H new ATOM 0 HD21 ASN B 109 4.447 -0.292 0.880 1.00 0.00 H new ATOM 0 HD22 ASN B 109 5.362 1.070 1.535 1.00 0.00 H new ATOM 1535 N PRO B 110 0.368 1.208 4.285 1.00 0.00 N ATOM 1536 CA PRO B 110 -0.410 0.367 5.228 1.00 0.00 C ATOM 1537 C PRO B 110 0.221 -1.025 5.354 1.00 0.00 C ATOM 1538 O PRO B 110 0.038 -1.710 6.341 1.00 0.00 O ATOM 1539 CB PRO B 110 -1.790 0.283 4.578 1.00 0.00 C ATOM 1540 CG PRO B 110 -1.544 0.512 3.122 1.00 0.00 C ATOM 1541 CD PRO B 110 -0.339 1.411 3.015 1.00 0.00 C ATOM 0 HA PRO B 110 -0.444 0.776 6.238 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -2.250 -0.689 4.753 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -2.466 1.034 4.987 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -1.367 -0.433 2.607 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -2.412 0.973 2.652 1.00 0.00 H new ATOM 0 HD2 PRO B 110 0.285 1.142 2.163 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -0.629 2.453 2.881 1.00 0.00 H new ATOM 1549 N PHE B 111 0.960 -1.448 4.362 1.00 0.00 N ATOM 1550 CA PHE B 111 1.598 -2.798 4.429 1.00 0.00 C ATOM 1551 C PHE B 111 2.974 -2.704 5.095 1.00 0.00 C ATOM 1552 O PHE B 111 3.366 -3.569 5.854 1.00 0.00 O ATOM 1553 CB PHE B 111 1.732 -3.241 2.971 1.00 0.00 C ATOM 1554 CG PHE B 111 0.404 -3.072 2.281 1.00 0.00 C ATOM 1555 CD1 PHE B 111 -0.645 -3.953 2.570 1.00 0.00 C ATOM 1556 CD2 PHE B 111 0.215 -2.035 1.360 1.00 0.00 C ATOM 1557 CE1 PHE B 111 -1.881 -3.798 1.936 1.00 0.00 C ATOM 1558 CE2 PHE B 111 -1.021 -1.880 0.727 1.00 0.00 C ATOM 1559 CZ PHE B 111 -2.069 -2.762 1.015 1.00 0.00 C ATOM 0 H PHE B 111 1.150 -0.920 3.510 1.00 0.00 H new ATOM 0 HA PHE B 111 1.013 -3.504 5.018 1.00 0.00 H new ATOM 0 HB2 PHE B 111 2.496 -2.649 2.467 1.00 0.00 H new ATOM 0 HB3 PHE B 111 2.052 -4.282 2.922 1.00 0.00 H new ATOM 0 HD1 PHE B 111 -0.499 -4.752 3.282 1.00 0.00 H new ATOM 0 HD2 PHE B 111 1.024 -1.355 1.139 1.00 0.00 H new ATOM 0 HE1 PHE B 111 -2.691 -4.478 2.157 1.00 0.00 H new ATOM 0 HE2 PHE B 111 -1.168 -1.080 0.016 1.00 0.00 H new ATOM 0 HZ PHE B 111 -3.024 -2.643 0.525 1.00 0.00 H new ATOM 1569 N LEU B 112 3.709 -1.663 4.820 1.00 0.00 N ATOM 1570 CA LEU B 112 5.057 -1.519 5.441 1.00 0.00 C ATOM 1571 C LEU B 112 4.926 -1.049 6.892 1.00 0.00 C ATOM 1572 O LEU B 112 3.889 -1.301 7.484 1.00 0.00 O ATOM 1573 CB LEU B 112 5.774 -0.463 4.598 1.00 0.00 C ATOM 1574 CG LEU B 112 7.000 -1.088 3.932 1.00 0.00 C ATOM 1575 CD1 LEU B 112 6.556 -2.231 3.018 1.00 0.00 C ATOM 1576 CD2 LEU B 112 7.725 -0.025 3.106 1.00 0.00 C ATOM 1577 OXT LEU B 112 5.865 -0.447 7.386 1.00 0.00 O ATOM 0 H LEU B 112 3.436 -0.906 4.193 1.00 0.00 H new ATOM 0 HA LEU B 112 5.603 -2.462 5.462 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.098 -0.067 3.840 1.00 0.00 H new ATOM 0 HB3 LEU B 112 6.076 0.375 5.226 1.00 0.00 H new ATOM 0 HG LEU B 112 7.673 -1.476 4.697 1.00 0.00 H new ATOM 0 HD11 LEU B 112 7.430 -2.677 2.543 1.00 0.00 H new ATOM 0 HD12 LEU B 112 6.037 -2.987 3.607 1.00 0.00 H new ATOM 0 HD13 LEU B 112 5.884 -1.844 2.252 1.00 0.00 H new ATOM 0 HD21 LEU B 112 8.600 -0.468 2.630 1.00 0.00 H new ATOM 0 HD22 LEU B 112 7.052 0.362 2.341 1.00 0.00 H new ATOM 0 HD23 LEU B 112 8.040 0.790 3.758 1.00 0.00 H new TER 1589 LEU B 112 HETATM 1590 CA CA A 113 -0.859 10.040 -1.915 1.00 0.00 CA