USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 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 39 GLN : amide:sc= -6.35! C(o=-5.6!,f=-11!) USER MOD Set 1.2: A 59 TYR OH : rot -67:sc= 0.786 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 0.0223 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.995 USER MOD Single : A 20 HIS : no HD1:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 160:sc= -1.06! USER MOD Single : A 35 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.4!) USER MOD Single : A 36 THR OG1 : rot 100:sc= 0.099 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot -98:sc= -0.381 USER MOD Single : A 48 SER OG : rot 7:sc= 0.156 USER MOD Single : A 50 SER OG : rot 76:sc= 0.0786 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.952 USER MOD Single : A 64 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.3) USER MOD Single : A 68 CYS SG : rot 14:sc= -2.49 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 163:sc=-0.00608 (180deg=-0.559) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -133:sc= -3.04! (180deg=-3.56!) USER MOD Single : A 91 LYS NZ :NH3+ -150:sc= 0.07 (180deg=-1.24) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.36) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.660 2.203 -19.192 1.00 0.00 N ATOM 2 CA GLY A 1 -24.626 3.165 -18.849 1.00 0.00 C ATOM 3 C GLY A 1 -25.187 4.588 -18.824 1.00 0.00 C ATOM 4 O GLY A 1 -25.694 5.077 -19.832 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.254 1.246 -19.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.423 2.248 -18.487 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.044 2.426 -20.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.205 2.919 -17.874 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.813 3.104 -19.572 1.00 0.00 H new ATOM 8 N SER A 2 -25.078 5.213 -17.661 1.00 0.00 N ATOM 9 CA SER A 2 -25.569 6.570 -17.491 1.00 0.00 C ATOM 10 C SER A 2 -24.434 7.569 -17.721 1.00 0.00 C ATOM 11 O SER A 2 -23.262 7.196 -17.713 1.00 0.00 O ATOM 12 CB SER A 2 -26.175 6.766 -16.099 1.00 0.00 C ATOM 13 OG SER A 2 -27.181 5.798 -15.813 1.00 0.00 O ATOM 0 H SER A 2 -24.657 4.804 -16.827 1.00 0.00 H new ATOM 0 HA SER A 2 -26.354 6.745 -18.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.387 6.702 -15.348 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.603 7.766 -16.028 1.00 0.00 H new ATOM 0 HG SER A 2 -27.541 5.956 -14.916 1.00 0.00 H new ATOM 19 N SER A 3 -24.822 8.820 -17.922 1.00 0.00 N ATOM 20 CA SER A 3 -23.851 9.876 -18.155 1.00 0.00 C ATOM 21 C SER A 3 -23.085 10.176 -16.865 1.00 0.00 C ATOM 22 O SER A 3 -23.631 10.050 -15.770 1.00 0.00 O ATOM 23 CB SER A 3 -24.531 11.144 -18.675 1.00 0.00 C ATOM 24 OG SER A 3 -24.384 11.289 -20.085 1.00 0.00 O ATOM 0 H SER A 3 -25.795 9.126 -17.928 1.00 0.00 H new ATOM 0 HA SER A 3 -23.149 9.534 -18.916 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.591 11.117 -18.422 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.106 12.014 -18.175 1.00 0.00 H new ATOM 0 HG SER A 3 -24.833 12.109 -20.378 1.00 0.00 H new ATOM 30 N GLY A 4 -21.831 10.567 -17.037 1.00 0.00 N ATOM 31 CA GLY A 4 -20.984 10.886 -15.900 1.00 0.00 C ATOM 32 C GLY A 4 -19.803 11.762 -16.325 1.00 0.00 C ATOM 33 O GLY A 4 -19.347 11.686 -17.464 1.00 0.00 O ATOM 0 H GLY A 4 -21.381 10.670 -17.946 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.569 11.403 -15.139 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.615 9.966 -15.448 1.00 0.00 H new ATOM 37 N SER A 5 -19.343 12.575 -15.385 1.00 0.00 N ATOM 38 CA SER A 5 -18.225 13.465 -15.647 1.00 0.00 C ATOM 39 C SER A 5 -17.644 13.979 -14.328 1.00 0.00 C ATOM 40 O SER A 5 -18.342 14.028 -13.316 1.00 0.00 O ATOM 41 CB SER A 5 -18.650 14.637 -16.533 1.00 0.00 C ATOM 42 OG SER A 5 -17.529 15.340 -17.063 1.00 0.00 O ATOM 0 H SER A 5 -19.724 12.636 -14.441 1.00 0.00 H new ATOM 0 HA SER A 5 -17.458 12.902 -16.179 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.266 14.267 -17.352 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.268 15.324 -15.954 1.00 0.00 H new ATOM 0 HG SER A 5 -17.842 16.080 -17.624 1.00 0.00 H new ATOM 48 N SER A 6 -16.373 14.349 -14.382 1.00 0.00 N ATOM 49 CA SER A 6 -15.692 14.858 -13.204 1.00 0.00 C ATOM 50 C SER A 6 -14.594 15.840 -13.618 1.00 0.00 C ATOM 51 O SER A 6 -13.919 15.633 -14.625 1.00 0.00 O ATOM 52 CB SER A 6 -15.099 13.717 -12.375 1.00 0.00 C ATOM 53 OG SER A 6 -15.968 13.316 -11.320 1.00 0.00 O ATOM 0 H SER A 6 -15.797 14.306 -15.223 1.00 0.00 H new ATOM 0 HA SER A 6 -16.422 15.379 -12.585 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.898 12.864 -13.023 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.143 14.032 -11.957 1.00 0.00 H new ATOM 0 HG SER A 6 -16.900 13.429 -11.603 1.00 0.00 H new ATOM 59 N GLY A 7 -14.449 16.887 -12.820 1.00 0.00 N ATOM 60 CA GLY A 7 -13.444 17.902 -13.090 1.00 0.00 C ATOM 61 C GLY A 7 -12.727 18.320 -11.805 1.00 0.00 C ATOM 62 O GLY A 7 -13.202 19.194 -11.082 1.00 0.00 O ATOM 0 H GLY A 7 -15.011 17.055 -11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.718 17.518 -13.807 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.915 18.772 -13.547 1.00 0.00 H new ATOM 66 N SER A 8 -11.595 17.676 -11.561 1.00 0.00 N ATOM 67 CA SER A 8 -10.808 17.971 -10.375 1.00 0.00 C ATOM 68 C SER A 8 -9.362 18.276 -10.770 1.00 0.00 C ATOM 69 O SER A 8 -8.799 17.612 -11.640 1.00 0.00 O ATOM 70 CB SER A 8 -10.853 16.808 -9.382 1.00 0.00 C ATOM 71 OG SER A 8 -9.904 15.795 -9.702 1.00 0.00 O ATOM 0 H SER A 8 -11.204 16.952 -12.164 1.00 0.00 H new ATOM 0 HA SER A 8 -11.237 18.846 -9.888 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.659 17.182 -8.377 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.854 16.377 -9.374 1.00 0.00 H new ATOM 0 HG SER A 8 -9.963 15.071 -9.044 1.00 0.00 H new ATOM 77 N ALA A 9 -8.802 19.280 -10.113 1.00 0.00 N ATOM 78 CA ALA A 9 -7.432 19.681 -10.384 1.00 0.00 C ATOM 79 C ALA A 9 -6.512 19.099 -9.309 1.00 0.00 C ATOM 80 O ALA A 9 -6.461 19.606 -8.190 1.00 0.00 O ATOM 81 CB ALA A 9 -7.351 21.207 -10.457 1.00 0.00 C ATOM 0 H ALA A 9 -9.272 19.828 -9.393 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.102 19.291 -11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.323 21.507 -10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.999 21.568 -11.255 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.673 21.634 -9.507 1.00 0.00 H new ATOM 87 N SER A 10 -5.808 18.042 -9.687 1.00 0.00 N ATOM 88 CA SER A 10 -4.892 17.386 -8.769 1.00 0.00 C ATOM 89 C SER A 10 -3.780 16.684 -9.552 1.00 0.00 C ATOM 90 O SER A 10 -3.933 15.534 -9.958 1.00 0.00 O ATOM 91 CB SER A 10 -5.629 16.383 -7.880 1.00 0.00 C ATOM 92 OG SER A 10 -4.811 15.914 -6.812 1.00 0.00 O ATOM 0 H SER A 10 -5.853 17.624 -10.616 1.00 0.00 H new ATOM 0 HA SER A 10 -4.450 18.146 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.525 16.850 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.958 15.537 -8.483 1.00 0.00 H new ATOM 0 HG SER A 10 -5.318 15.277 -6.267 1.00 0.00 H new ATOM 98 N LYS A 11 -2.686 17.408 -9.740 1.00 0.00 N ATOM 99 CA LYS A 11 -1.549 16.869 -10.466 1.00 0.00 C ATOM 100 C LYS A 11 -2.051 16.014 -11.631 1.00 0.00 C ATOM 101 O LYS A 11 -3.172 16.199 -12.103 1.00 0.00 O ATOM 102 CB LYS A 11 -0.610 16.123 -9.516 1.00 0.00 C ATOM 103 CG LYS A 11 -0.261 16.984 -8.300 1.00 0.00 C ATOM 104 CD LYS A 11 -0.259 16.149 -7.018 1.00 0.00 C ATOM 105 CE LYS A 11 -0.210 17.046 -5.780 1.00 0.00 C ATOM 106 NZ LYS A 11 0.900 16.640 -4.890 1.00 0.00 N ATOM 0 H LYS A 11 -2.563 18.363 -9.402 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.955 17.676 -10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.081 15.197 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.303 15.847 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.719 17.440 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.981 17.797 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.152 15.525 -6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.599 15.477 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.081 18.085 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.156 16.986 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.919 17.259 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.760 15.655 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.802 16.721 -5.401 1.00 0.00 H new ATOM 120 N ARG A 12 -1.198 15.097 -12.062 1.00 0.00 N ATOM 121 CA ARG A 12 -1.542 14.213 -13.163 1.00 0.00 C ATOM 122 C ARG A 12 -1.410 12.751 -12.731 1.00 0.00 C ATOM 123 O ARG A 12 -0.377 12.349 -12.198 1.00 0.00 O ATOM 124 CB ARG A 12 -0.639 14.464 -14.373 1.00 0.00 C ATOM 125 CG ARG A 12 -1.336 15.357 -15.401 1.00 0.00 C ATOM 126 CD ARG A 12 -1.092 14.850 -16.823 1.00 0.00 C ATOM 127 NE ARG A 12 0.052 15.568 -17.427 1.00 0.00 N ATOM 128 CZ ARG A 12 0.537 15.315 -18.651 1.00 0.00 C ATOM 129 NH1 ARG A 12 -0.021 14.360 -19.408 1.00 0.00 N ATOM 130 NH2 ARG A 12 1.579 16.017 -19.117 1.00 0.00 N ATOM 0 H ARG A 12 -0.269 14.947 -11.669 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.574 14.420 -13.445 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.289 14.934 -14.047 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.370 13.514 -14.834 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.407 15.383 -15.199 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.970 16.379 -15.308 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.892 13.779 -16.807 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.986 14.998 -17.429 1.00 0.00 H new ATOM 0 HE ARG A 12 0.500 16.302 -16.878 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.814 13.826 -19.053 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.348 14.167 -20.339 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.003 16.744 -18.540 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.948 15.825 -20.048 1.00 0.00 H new ATOM 144 N TRP A 13 -2.470 11.997 -12.977 1.00 0.00 N ATOM 145 CA TRP A 13 -2.486 10.588 -12.621 1.00 0.00 C ATOM 146 C TRP A 13 -2.921 9.793 -13.853 1.00 0.00 C ATOM 147 O TRP A 13 -3.941 10.101 -14.467 1.00 0.00 O ATOM 148 CB TRP A 13 -3.379 10.341 -11.404 1.00 0.00 C ATOM 149 CG TRP A 13 -2.905 11.044 -10.130 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.859 12.360 -9.883 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.409 10.410 -8.932 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.371 12.620 -8.618 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.089 11.397 -8.022 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.236 9.048 -8.628 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.577 11.127 -6.747 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.723 8.795 -7.350 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.396 9.777 -6.422 1.00 0.00 C ATOM 0 H TRP A 13 -3.325 12.335 -13.419 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.492 10.254 -12.325 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.391 10.674 -11.635 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.431 9.269 -11.217 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.165 13.121 -10.585 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.241 13.541 -8.198 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.479 8.260 -9.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.335 11.917 -6.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.571 7.764 -7.065 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.004 9.500 -5.455 1.00 0.00 H new ATOM 168 N SER A 14 -2.125 8.785 -14.179 1.00 0.00 N ATOM 169 CA SER A 14 -2.415 7.944 -15.327 1.00 0.00 C ATOM 170 C SER A 14 -3.766 7.249 -15.140 1.00 0.00 C ATOM 171 O SER A 14 -4.424 7.431 -14.117 1.00 0.00 O ATOM 172 CB SER A 14 -1.311 6.907 -15.543 1.00 0.00 C ATOM 173 OG SER A 14 -1.719 5.601 -15.143 1.00 0.00 O ATOM 0 H SER A 14 -1.279 8.532 -13.668 1.00 0.00 H new ATOM 0 HA SER A 14 -2.459 8.578 -16.212 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.029 6.892 -16.596 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.425 7.198 -14.979 1.00 0.00 H new ATOM 0 HG SER A 14 -0.987 4.968 -15.298 1.00 0.00 H new ATOM 179 N PRO A 15 -4.148 6.448 -16.170 1.00 0.00 N ATOM 180 CA PRO A 15 -5.408 5.726 -16.128 1.00 0.00 C ATOM 181 C PRO A 15 -5.322 4.527 -15.182 1.00 0.00 C ATOM 182 O PRO A 15 -4.263 3.917 -15.041 1.00 0.00 O ATOM 183 CB PRO A 15 -5.681 5.327 -17.569 1.00 0.00 C ATOM 184 CG PRO A 15 -4.347 5.432 -18.290 1.00 0.00 C ATOM 185 CD PRO A 15 -3.394 6.209 -17.397 1.00 0.00 C ATOM 0 HA PRO A 15 -6.226 6.330 -15.734 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.077 4.313 -17.625 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.423 5.984 -18.022 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.948 4.440 -18.502 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.470 5.937 -19.248 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.485 5.641 -17.199 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.089 7.146 -17.863 1.00 0.00 H new ATOM 193 N PRO A 16 -6.480 4.216 -14.541 1.00 0.00 N ATOM 194 CA PRO A 16 -6.546 3.101 -13.612 1.00 0.00 C ATOM 195 C PRO A 16 -6.561 1.766 -14.358 1.00 0.00 C ATOM 196 O PRO A 16 -7.238 1.627 -15.376 1.00 0.00 O ATOM 197 CB PRO A 16 -7.807 3.341 -12.798 1.00 0.00 C ATOM 198 CG PRO A 16 -8.644 4.320 -13.604 1.00 0.00 C ATOM 199 CD PRO A 16 -7.754 4.916 -14.682 1.00 0.00 C ATOM 0 HA PRO A 16 -5.673 3.043 -12.962 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.348 2.409 -12.632 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.566 3.749 -11.816 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.499 3.813 -14.052 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.040 5.104 -12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.180 4.767 -15.674 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.632 5.991 -14.546 1.00 0.00 H new ATOM 207 N ARG A 17 -5.806 0.817 -13.824 1.00 0.00 N ATOM 208 CA ARG A 17 -5.724 -0.503 -14.427 1.00 0.00 C ATOM 209 C ARG A 17 -6.649 -1.478 -13.696 1.00 0.00 C ATOM 210 O ARG A 17 -7.057 -1.223 -12.564 1.00 0.00 O ATOM 211 CB ARG A 17 -4.292 -1.039 -14.385 1.00 0.00 C ATOM 212 CG ARG A 17 -3.845 -1.297 -12.944 1.00 0.00 C ATOM 213 CD ARG A 17 -2.388 -1.763 -12.897 1.00 0.00 C ATOM 214 NE ARG A 17 -2.134 -2.741 -13.978 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.924 -2.990 -14.497 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.150 -2.334 -14.037 1.00 0.00 N ATOM 217 NH2 ARG A 17 -0.788 -3.895 -15.476 1.00 0.00 N ATOM 0 H ARG A 17 -5.245 0.936 -12.980 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.035 -0.413 -15.468 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.229 -1.963 -14.960 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.618 -0.323 -14.856 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.958 -0.386 -12.356 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.487 -2.052 -12.490 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.721 -0.908 -13.005 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.173 -2.215 -11.929 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.930 -3.258 -14.352 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.046 -1.645 -13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.071 -2.523 -14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.606 -4.394 -15.826 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.133 -4.084 -15.871 1.00 0.00 H new ATOM 231 N GLY A 18 -6.952 -2.576 -14.374 1.00 0.00 N ATOM 232 CA GLY A 18 -7.821 -3.591 -13.803 1.00 0.00 C ATOM 233 C GLY A 18 -7.020 -4.826 -13.385 1.00 0.00 C ATOM 234 O GLY A 18 -6.486 -5.540 -14.232 1.00 0.00 O ATOM 0 H GLY A 18 -6.611 -2.784 -15.313 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.344 -3.183 -12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.581 -3.875 -14.531 1.00 0.00 H new ATOM 238 N ILE A 19 -6.963 -5.040 -12.079 1.00 0.00 N ATOM 239 CA ILE A 19 -6.236 -6.176 -11.538 1.00 0.00 C ATOM 240 C ILE A 19 -7.232 -7.261 -11.122 1.00 0.00 C ATOM 241 O ILE A 19 -8.384 -6.965 -10.808 1.00 0.00 O ATOM 242 CB ILE A 19 -5.307 -5.729 -10.407 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.569 -4.442 -10.781 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.342 -6.849 -10.015 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.601 -4.023 -9.673 1.00 0.00 C ATOM 0 H ILE A 19 -7.408 -4.446 -11.379 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.588 -6.611 -12.299 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.917 -5.508 -9.531 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.020 -4.590 -11.711 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.290 -3.644 -10.960 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.693 -6.505 -9.209 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.909 -7.717 -9.679 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.735 -7.124 -10.877 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.090 -3.106 -9.964 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.156 -3.852 -8.751 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.867 -4.813 -9.513 1.00 0.00 H new ATOM 257 N HIS A 20 -6.751 -8.496 -11.134 1.00 0.00 N ATOM 258 CA HIS A 20 -7.584 -9.627 -10.762 1.00 0.00 C ATOM 259 C HIS A 20 -6.764 -10.618 -9.934 1.00 0.00 C ATOM 260 O HIS A 20 -5.864 -11.274 -10.456 1.00 0.00 O ATOM 261 CB HIS A 20 -8.214 -10.267 -12.000 1.00 0.00 C ATOM 262 CG HIS A 20 -7.510 -9.929 -13.293 1.00 0.00 C ATOM 263 ND1 HIS A 20 -8.154 -9.330 -14.362 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.214 -10.109 -13.675 1.00 0.00 C ATOM 265 CE1 HIS A 20 -7.274 -9.164 -15.339 1.00 0.00 C ATOM 266 NE2 HIS A 20 -6.073 -9.648 -14.912 1.00 0.00 N ATOM 0 H HIS A 20 -5.795 -8.738 -11.395 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.411 -9.285 -10.140 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.219 -11.350 -11.874 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.254 -9.949 -12.071 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.434 -10.552 -13.073 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.473 -8.723 -16.304 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.209 -9.655 -15.454 1.00 0.00 H new ATOM 274 N PHE A 21 -7.105 -10.696 -8.656 1.00 0.00 N ATOM 275 CA PHE A 21 -6.412 -11.596 -7.750 1.00 0.00 C ATOM 276 C PHE A 21 -7.287 -11.942 -6.544 1.00 0.00 C ATOM 277 O PHE A 21 -8.356 -11.361 -6.361 1.00 0.00 O ATOM 278 CB PHE A 21 -5.159 -10.864 -7.264 1.00 0.00 C ATOM 279 CG PHE A 21 -5.450 -9.688 -6.329 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.882 -8.504 -6.840 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.275 -9.827 -4.987 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.152 -7.413 -5.972 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.544 -8.735 -4.120 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.977 -7.551 -4.631 1.00 0.00 C ATOM 0 H PHE A 21 -7.852 -10.151 -8.226 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.167 -12.525 -8.264 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.513 -11.574 -6.748 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.605 -10.499 -8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.020 -8.394 -7.905 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.932 -10.767 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.497 -6.473 -6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.405 -8.845 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.182 -6.721 -3.971 1.00 0.00 H new ATOM 294 N THR A 22 -6.801 -12.885 -5.751 1.00 0.00 N ATOM 295 CA THR A 22 -7.525 -13.315 -4.567 1.00 0.00 C ATOM 296 C THR A 22 -6.779 -12.890 -3.301 1.00 0.00 C ATOM 297 O THR A 22 -5.680 -13.372 -3.033 1.00 0.00 O ATOM 298 CB THR A 22 -7.740 -14.826 -4.667 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.918 -14.958 -5.458 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.121 -15.454 -3.324 1.00 0.00 C ATOM 0 H THR A 22 -5.914 -13.364 -5.905 1.00 0.00 H new ATOM 0 HA THR A 22 -8.502 -12.836 -4.506 1.00 0.00 H new ATOM 0 HB THR A 22 -6.832 -15.297 -5.043 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.129 -15.908 -5.574 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.262 -16.527 -3.451 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.326 -15.276 -2.600 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.047 -15.007 -2.963 1.00 0.00 H new ATOM 308 N VAL A 23 -7.406 -11.991 -2.556 1.00 0.00 N ATOM 309 CA VAL A 23 -6.815 -11.496 -1.325 1.00 0.00 C ATOM 310 C VAL A 23 -6.394 -12.681 -0.453 1.00 0.00 C ATOM 311 O VAL A 23 -6.816 -13.811 -0.691 1.00 0.00 O ATOM 312 CB VAL A 23 -7.790 -10.551 -0.620 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.363 -10.304 0.829 1.00 0.00 C ATOM 314 CG2 VAL A 23 -7.926 -9.232 -1.384 1.00 0.00 C ATOM 0 H VAL A 23 -8.318 -11.593 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.918 -10.915 -1.539 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.769 -11.031 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.073 -9.629 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.342 -11.251 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.369 -9.856 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.625 -8.579 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.952 -8.746 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.298 -9.430 -2.389 1.00 0.00 H new ATOM 324 N GLU A 24 -5.568 -12.381 0.538 1.00 0.00 N ATOM 325 CA GLU A 24 -5.085 -13.407 1.446 1.00 0.00 C ATOM 326 C GLU A 24 -5.274 -12.963 2.898 1.00 0.00 C ATOM 327 O GLU A 24 -4.359 -12.407 3.504 1.00 0.00 O ATOM 328 CB GLU A 24 -3.620 -13.746 1.162 1.00 0.00 C ATOM 329 CG GLU A 24 -3.483 -14.541 -0.138 1.00 0.00 C ATOM 330 CD GLU A 24 -2.595 -15.771 0.063 1.00 0.00 C ATOM 331 OE1 GLU A 24 -3.037 -16.675 0.805 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.495 -15.779 -0.530 1.00 0.00 O ATOM 0 H GLU A 24 -5.221 -11.442 0.732 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.671 -14.312 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.037 -12.827 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.209 -14.323 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.469 -14.852 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.059 -13.905 -0.915 1.00 0.00 H new ATOM 339 N GLU A 25 -6.466 -13.224 3.413 1.00 0.00 N ATOM 340 CA GLU A 25 -6.786 -12.858 4.782 1.00 0.00 C ATOM 341 C GLU A 25 -5.997 -13.727 5.763 1.00 0.00 C ATOM 342 O GLU A 25 -6.582 -14.439 6.578 1.00 0.00 O ATOM 343 CB GLU A 25 -8.290 -12.967 5.041 1.00 0.00 C ATOM 344 CG GLU A 25 -8.852 -14.271 4.472 1.00 0.00 C ATOM 345 CD GLU A 25 -10.007 -14.792 5.330 1.00 0.00 C ATOM 346 OE1 GLU A 25 -9.836 -14.799 6.568 1.00 0.00 O ATOM 347 OE2 GLU A 25 -11.035 -15.171 4.728 1.00 0.00 O ATOM 0 H GLU A 25 -7.222 -13.685 2.907 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.498 -11.818 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.482 -12.921 6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.803 -12.118 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.198 -14.107 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.063 -15.021 4.425 1.00 0.00 H new ATOM 354 N GLY A 26 -4.679 -13.641 5.652 1.00 0.00 N ATOM 355 CA GLY A 26 -3.803 -14.411 6.518 1.00 0.00 C ATOM 356 C GLY A 26 -2.346 -13.975 6.353 1.00 0.00 C ATOM 357 O GLY A 26 -1.606 -13.885 7.331 1.00 0.00 O ATOM 0 H GLY A 26 -4.197 -13.050 4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.109 -14.284 7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.897 -15.472 6.286 1.00 0.00 H new ATOM 361 N ASP A 27 -1.978 -13.714 5.107 1.00 0.00 N ATOM 362 CA ASP A 27 -0.623 -13.289 4.800 1.00 0.00 C ATOM 363 C ASP A 27 -0.615 -12.551 3.460 1.00 0.00 C ATOM 364 O ASP A 27 -0.677 -13.176 2.403 1.00 0.00 O ATOM 365 CB ASP A 27 0.318 -14.490 4.684 1.00 0.00 C ATOM 366 CG ASP A 27 1.799 -14.175 4.904 1.00 0.00 C ATOM 367 OD1 ASP A 27 2.137 -12.973 4.854 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.560 -15.144 5.116 1.00 0.00 O ATOM 0 H ASP A 27 -2.595 -13.789 4.298 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.282 -12.640 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.011 -15.244 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.199 -14.931 3.695 1.00 0.00 H new ATOM 373 N LEU A 28 -0.538 -11.231 3.548 1.00 0.00 N ATOM 374 CA LEU A 28 -0.522 -10.401 2.356 1.00 0.00 C ATOM 375 C LEU A 28 0.913 -10.290 1.837 1.00 0.00 C ATOM 376 O LEU A 28 1.861 -10.278 2.620 1.00 0.00 O ATOM 377 CB LEU A 28 -1.181 -9.049 2.635 1.00 0.00 C ATOM 378 CG LEU A 28 -2.696 -9.072 2.846 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.209 -7.701 3.290 1.00 0.00 C ATOM 380 CD2 LEU A 28 -3.416 -9.575 1.593 1.00 0.00 C ATOM 0 H LEU A 28 -0.486 -10.716 4.427 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.114 -10.860 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.717 -8.617 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.960 -8.381 1.803 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.918 -9.774 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.289 -7.745 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.730 -7.420 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.974 -6.960 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.492 -9.582 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.190 -8.916 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.080 -10.586 1.361 1.00 0.00 H new ATOM 392 N GLY A 29 1.028 -10.212 0.519 1.00 0.00 N ATOM 393 CA GLY A 29 2.331 -10.103 -0.114 1.00 0.00 C ATOM 394 C GLY A 29 2.698 -8.638 -0.364 1.00 0.00 C ATOM 395 O GLY A 29 3.495 -8.338 -1.251 1.00 0.00 O ATOM 0 H GLY A 29 0.239 -10.222 -0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.087 -10.568 0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.327 -10.647 -1.058 1.00 0.00 H new ATOM 399 N PHE A 30 2.097 -7.767 0.432 1.00 0.00 N ATOM 400 CA PHE A 30 2.350 -6.341 0.308 1.00 0.00 C ATOM 401 C PHE A 30 1.723 -5.569 1.471 1.00 0.00 C ATOM 402 O PHE A 30 0.925 -6.121 2.227 1.00 0.00 O ATOM 403 CB PHE A 30 1.703 -5.885 -1.001 1.00 0.00 C ATOM 404 CG PHE A 30 0.183 -6.060 -1.037 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.627 -5.075 -0.565 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.358 -7.201 -1.543 1.00 0.00 C ATOM 407 CE1 PHE A 30 -2.037 -5.238 -0.599 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.768 -7.364 -1.577 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.578 -6.379 -1.104 1.00 0.00 C ATOM 0 H PHE A 30 1.435 -8.021 1.166 1.00 0.00 H new ATOM 0 HA PHE A 30 3.423 -6.151 0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.942 -4.834 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.143 -6.445 -1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.198 -4.169 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.285 -7.983 -1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.680 -4.456 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.197 -8.270 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.651 -6.503 -1.129 1.00 0.00 H new ATOM 419 N THR A 31 2.107 -4.306 1.576 1.00 0.00 N ATOM 420 CA THR A 31 1.592 -3.453 2.633 1.00 0.00 C ATOM 421 C THR A 31 1.160 -2.100 2.064 1.00 0.00 C ATOM 422 O THR A 31 1.328 -1.841 0.873 1.00 0.00 O ATOM 423 CB THR A 31 2.666 -3.341 3.716 1.00 0.00 C ATOM 424 OG1 THR A 31 2.552 -1.999 4.181 1.00 0.00 O ATOM 425 CG2 THR A 31 4.084 -3.418 3.145 1.00 0.00 C ATOM 0 H THR A 31 2.769 -3.852 0.946 1.00 0.00 H new ATOM 0 HA THR A 31 0.697 -3.881 3.085 1.00 0.00 H new ATOM 0 HB THR A 31 2.526 -4.136 4.449 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.961 -1.924 5.069 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.808 -3.333 3.956 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.220 -4.372 2.635 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.236 -2.604 2.437 1.00 0.00 H new ATOM 433 N LEU A 32 0.611 -1.273 2.942 1.00 0.00 N ATOM 434 CA LEU A 32 0.154 0.047 2.541 1.00 0.00 C ATOM 435 C LEU A 32 0.847 1.105 3.402 1.00 0.00 C ATOM 436 O LEU A 32 0.763 1.066 4.628 1.00 0.00 O ATOM 437 CB LEU A 32 -1.374 0.122 2.588 1.00 0.00 C ATOM 438 CG LEU A 32 -2.122 -0.894 1.722 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.628 -0.835 1.985 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.790 -0.701 0.241 1.00 0.00 C ATOM 0 H LEU A 32 0.472 -1.491 3.929 1.00 0.00 H new ATOM 0 HA LEU A 32 0.429 0.247 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.693 -0.007 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.678 1.123 2.283 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.786 -1.893 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.136 -1.567 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.823 -1.059 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.999 0.163 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.334 -1.435 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.080 0.303 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.719 -0.833 0.088 1.00 0.00 H new ATOM 452 N ARG A 33 1.518 2.026 2.725 1.00 0.00 N ATOM 453 CA ARG A 33 2.226 3.093 3.412 1.00 0.00 C ATOM 454 C ARG A 33 1.760 4.456 2.897 1.00 0.00 C ATOM 455 O ARG A 33 1.277 4.566 1.772 1.00 0.00 O ATOM 456 CB ARG A 33 3.738 2.968 3.212 1.00 0.00 C ATOM 457 CG ARG A 33 4.243 1.603 3.682 1.00 0.00 C ATOM 458 CD ARG A 33 5.445 1.755 4.616 1.00 0.00 C ATOM 459 NE ARG A 33 5.086 1.308 5.980 1.00 0.00 N ATOM 460 CZ ARG A 33 5.045 0.025 6.364 1.00 0.00 C ATOM 461 NH1 ARG A 33 5.341 -0.946 5.489 1.00 0.00 N ATOM 462 NH2 ARG A 33 4.708 -0.288 7.623 1.00 0.00 N ATOM 0 H ARG A 33 1.586 2.055 1.708 1.00 0.00 H new ATOM 0 HA ARG A 33 2.004 3.008 4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.982 3.107 2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.248 3.758 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.442 1.073 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.522 0.998 2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.284 1.168 4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.769 2.796 4.639 1.00 0.00 H new ATOM 0 HE ARG A 33 4.855 2.021 6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.597 -0.708 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.310 -1.923 5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.483 0.451 8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.677 -1.265 7.915 1.00 0.00 H new ATOM 476 N GLY A 34 1.923 5.460 3.746 1.00 0.00 N ATOM 477 CA GLY A 34 1.526 6.812 3.391 1.00 0.00 C ATOM 478 C GLY A 34 0.157 7.154 3.982 1.00 0.00 C ATOM 479 O GLY A 34 -0.331 6.459 4.871 1.00 0.00 O ATOM 0 H GLY A 34 2.325 5.364 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.270 7.521 3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.493 6.912 2.306 1.00 0.00 H new ATOM 483 N ASN A 35 -0.425 8.226 3.463 1.00 0.00 N ATOM 484 CA ASN A 35 -1.729 8.668 3.928 1.00 0.00 C ATOM 485 C ASN A 35 -2.793 8.269 2.905 1.00 0.00 C ATOM 486 O ASN A 35 -3.639 7.420 3.183 1.00 0.00 O ATOM 487 CB ASN A 35 -1.770 10.190 4.084 1.00 0.00 C ATOM 488 CG ASN A 35 -2.711 10.599 5.219 1.00 0.00 C ATOM 489 OD1 ASN A 35 -2.879 9.899 6.204 1.00 0.00 O ATOM 490 ND2 ASN A 35 -3.314 11.769 5.027 1.00 0.00 N ATOM 0 H ASN A 35 -0.018 8.801 2.726 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.919 8.200 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.767 10.566 4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.100 10.646 3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.962 12.130 5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.129 12.305 4.179 1.00 0.00 H new ATOM 497 N THR A 36 -2.717 8.900 1.742 1.00 0.00 N ATOM 498 CA THR A 36 -3.664 8.621 0.676 1.00 0.00 C ATOM 499 C THR A 36 -3.372 9.502 -0.540 1.00 0.00 C ATOM 500 O THR A 36 -3.028 10.674 -0.395 1.00 0.00 O ATOM 501 CB THR A 36 -5.076 8.807 1.236 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.859 9.153 0.097 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.187 10.030 2.149 1.00 0.00 C ATOM 0 H THR A 36 -2.014 9.603 1.515 1.00 0.00 H new ATOM 0 HA THR A 36 -3.572 7.594 0.324 1.00 0.00 H new ATOM 0 HB THR A 36 -5.368 7.914 1.788 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.337 8.360 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.209 10.116 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.504 9.919 2.991 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.928 10.928 1.588 1.00 0.00 H new ATOM 511 N PRO A 37 -3.524 8.887 -1.744 1.00 0.00 N ATOM 512 CA PRO A 37 -3.934 7.496 -1.828 1.00 0.00 C ATOM 513 C PRO A 37 -2.782 6.561 -1.458 1.00 0.00 C ATOM 514 O PRO A 37 -1.663 6.726 -1.943 1.00 0.00 O ATOM 515 CB PRO A 37 -4.411 7.313 -3.260 1.00 0.00 C ATOM 516 CG PRO A 37 -3.820 8.470 -4.048 1.00 0.00 C ATOM 517 CD PRO A 37 -3.309 9.499 -3.053 1.00 0.00 C ATOM 0 HA PRO A 37 -4.727 7.248 -1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.079 6.356 -3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.500 7.320 -3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.009 8.122 -4.687 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.573 8.911 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.255 9.720 -3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.850 10.441 -3.144 1.00 0.00 H new ATOM 525 N VAL A 38 -3.094 5.600 -0.601 1.00 0.00 N ATOM 526 CA VAL A 38 -2.098 4.638 -0.160 1.00 0.00 C ATOM 527 C VAL A 38 -1.479 3.955 -1.381 1.00 0.00 C ATOM 528 O VAL A 38 -2.139 3.791 -2.406 1.00 0.00 O ATOM 529 CB VAL A 38 -2.726 3.649 0.824 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.121 4.348 2.127 1.00 0.00 C ATOM 531 CG2 VAL A 38 -3.927 2.938 0.197 1.00 0.00 C ATOM 0 H VAL A 38 -4.022 5.467 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.292 5.141 0.375 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.977 2.893 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.565 3.623 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.235 4.785 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.844 5.135 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.354 2.241 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.679 3.675 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.604 2.391 -0.689 1.00 0.00 H new ATOM 541 N GLN A 39 -0.218 3.575 -1.231 1.00 0.00 N ATOM 542 CA GLN A 39 0.497 2.914 -2.308 1.00 0.00 C ATOM 543 C GLN A 39 0.659 1.423 -2.002 1.00 0.00 C ATOM 544 O GLN A 39 0.120 0.927 -1.014 1.00 0.00 O ATOM 545 CB GLN A 39 1.856 3.574 -2.551 1.00 0.00 C ATOM 546 CG GLN A 39 1.687 4.972 -3.150 1.00 0.00 C ATOM 547 CD GLN A 39 3.046 5.630 -3.399 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.732 5.348 -4.368 1.00 0.00 O ATOM 549 NE2 GLN A 39 3.394 6.519 -2.474 1.00 0.00 N ATOM 0 H GLN A 39 0.326 3.713 -0.379 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.088 3.016 -3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.405 3.641 -1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.450 2.955 -3.224 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.134 4.906 -4.087 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.097 5.592 -2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.772 6.707 -1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.283 7.013 -2.550 1.00 0.00 H new ATOM 558 N VAL A 40 1.405 0.751 -2.867 1.00 0.00 N ATOM 559 CA VAL A 40 1.644 -0.672 -2.701 1.00 0.00 C ATOM 560 C VAL A 40 3.151 -0.927 -2.638 1.00 0.00 C ATOM 561 O VAL A 40 3.850 -0.788 -3.641 1.00 0.00 O ATOM 562 CB VAL A 40 0.952 -1.453 -3.820 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.227 -2.953 -3.692 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.552 -1.171 -3.836 1.00 0.00 C ATOM 0 H VAL A 40 1.852 1.166 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 40 1.215 -1.025 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 40 1.366 -1.116 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.724 -3.485 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.300 -3.133 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.853 -3.311 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.020 -1.738 -4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.988 -1.467 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.721 -0.106 -3.997 1.00 0.00 H new ATOM 574 N HIS A 41 3.608 -1.296 -1.450 1.00 0.00 N ATOM 575 CA HIS A 41 5.019 -1.572 -1.244 1.00 0.00 C ATOM 576 C HIS A 41 5.257 -3.083 -1.273 1.00 0.00 C ATOM 577 O HIS A 41 5.527 -3.693 -0.240 1.00 0.00 O ATOM 578 CB HIS A 41 5.517 -0.919 0.047 1.00 0.00 C ATOM 579 CG HIS A 41 7.020 -0.925 0.199 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.831 0.059 -0.339 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.848 -1.804 0.833 1.00 0.00 C ATOM 582 CE1 HIS A 41 9.089 -0.226 -0.036 1.00 0.00 C ATOM 583 NE2 HIS A 41 9.098 -1.381 0.689 1.00 0.00 N ATOM 0 H HIS A 41 3.026 -1.410 -0.620 1.00 0.00 H new ATOM 0 HA HIS A 41 5.601 -1.132 -2.054 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.163 0.111 0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.074 -1.436 0.898 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.539 -2.693 1.362 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.956 0.355 -0.315 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.928 -1.844 1.059 1.00 0.00 H new ATOM 591 N PHE A 42 5.146 -3.644 -2.469 1.00 0.00 N ATOM 592 CA PHE A 42 5.346 -5.072 -2.647 1.00 0.00 C ATOM 593 C PHE A 42 6.473 -5.585 -1.749 1.00 0.00 C ATOM 594 O PHE A 42 7.532 -4.965 -1.661 1.00 0.00 O ATOM 595 CB PHE A 42 5.735 -5.290 -4.110 1.00 0.00 C ATOM 596 CG PHE A 42 4.545 -5.521 -5.043 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.575 -6.410 -4.701 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.458 -4.837 -6.216 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.470 -6.624 -5.567 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.354 -5.051 -7.082 1.00 0.00 C ATOM 601 CZ PHE A 42 2.383 -5.940 -6.740 1.00 0.00 C ATOM 0 H PHE A 42 4.920 -3.135 -3.324 1.00 0.00 H new ATOM 0 HA PHE A 42 4.436 -5.611 -2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.294 -4.422 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.405 -6.148 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.645 -6.954 -3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.229 -4.131 -6.488 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.699 -7.329 -5.295 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.285 -4.508 -8.013 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.543 -6.103 -7.399 1.00 0.00 H new ATOM 611 N LEU A 43 6.208 -6.711 -1.104 1.00 0.00 N ATOM 612 CA LEU A 43 7.187 -7.314 -0.216 1.00 0.00 C ATOM 613 C LEU A 43 7.690 -8.622 -0.831 1.00 0.00 C ATOM 614 O LEU A 43 8.876 -8.937 -0.743 1.00 0.00 O ATOM 615 CB LEU A 43 6.606 -7.479 1.190 1.00 0.00 C ATOM 616 CG LEU A 43 6.260 -6.185 1.929 1.00 0.00 C ATOM 617 CD1 LEU A 43 5.366 -6.466 3.138 1.00 0.00 C ATOM 618 CD2 LEU A 43 7.527 -5.420 2.318 1.00 0.00 C ATOM 0 H LEU A 43 5.328 -7.222 -1.179 1.00 0.00 H new ATOM 0 HA LEU A 43 8.052 -6.661 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.704 -8.086 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.321 -8.039 1.793 1.00 0.00 H new ATOM 0 HG LEU A 43 5.693 -5.546 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.135 -5.529 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.441 -6.936 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.884 -7.133 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.253 -4.504 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.141 -6.041 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.091 -5.169 1.420 1.00 0.00 H new ATOM 630 N ASP A 44 6.763 -9.347 -1.439 1.00 0.00 N ATOM 631 CA ASP A 44 7.098 -10.614 -2.068 1.00 0.00 C ATOM 632 C ASP A 44 6.857 -10.508 -3.575 1.00 0.00 C ATOM 633 O ASP A 44 5.847 -9.958 -4.009 1.00 0.00 O ATOM 634 CB ASP A 44 6.222 -11.746 -1.527 1.00 0.00 C ATOM 635 CG ASP A 44 6.803 -12.495 -0.327 1.00 0.00 C ATOM 636 OD1 ASP A 44 8.045 -12.472 -0.189 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.991 -13.075 0.427 1.00 0.00 O ATOM 0 H ASP A 44 5.781 -9.082 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 44 8.144 -10.833 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.254 -11.333 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.041 -12.461 -2.330 1.00 0.00 H new ATOM 642 N PRO A 45 7.828 -11.060 -4.352 1.00 0.00 N ATOM 643 CA PRO A 45 7.732 -11.033 -5.802 1.00 0.00 C ATOM 644 C PRO A 45 6.705 -12.052 -6.302 1.00 0.00 C ATOM 645 O PRO A 45 6.008 -11.805 -7.285 1.00 0.00 O ATOM 646 CB PRO A 45 9.141 -11.319 -6.295 1.00 0.00 C ATOM 647 CG PRO A 45 9.873 -11.952 -5.123 1.00 0.00 C ATOM 648 CD PRO A 45 9.039 -11.720 -3.873 1.00 0.00 C ATOM 0 HA PRO A 45 7.378 -10.075 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.125 -11.990 -7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.636 -10.402 -6.615 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.016 -13.019 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.863 -11.511 -5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.806 -12.660 -3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.570 -11.098 -3.152 1.00 0.00 H new ATOM 656 N HIS A 46 6.645 -13.175 -5.602 1.00 0.00 N ATOM 657 CA HIS A 46 5.715 -14.232 -5.963 1.00 0.00 C ATOM 658 C HIS A 46 4.467 -14.140 -5.083 1.00 0.00 C ATOM 659 O HIS A 46 3.834 -15.153 -4.788 1.00 0.00 O ATOM 660 CB HIS A 46 6.394 -15.601 -5.887 1.00 0.00 C ATOM 661 CG HIS A 46 7.132 -15.991 -7.146 1.00 0.00 C ATOM 662 ND1 HIS A 46 8.396 -15.517 -7.450 1.00 0.00 N ATOM 663 CD2 HIS A 46 6.772 -16.813 -8.172 1.00 0.00 C ATOM 664 CE1 HIS A 46 8.770 -16.036 -8.610 1.00 0.00 C ATOM 665 NE2 HIS A 46 7.761 -16.839 -9.057 1.00 0.00 N ATOM 0 H HIS A 46 7.225 -13.376 -4.787 1.00 0.00 H new ATOM 0 HA HIS A 46 5.398 -14.105 -6.998 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.095 -15.602 -5.052 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.640 -16.358 -5.671 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.840 -17.352 -8.251 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.708 -15.855 -9.113 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.766 -17.371 -9.927 1.00 0.00 H new ATOM 673 N CYS A 47 4.150 -12.916 -4.688 1.00 0.00 N ATOM 674 CA CYS A 47 2.988 -12.678 -3.847 1.00 0.00 C ATOM 675 C CYS A 47 1.742 -13.132 -4.610 1.00 0.00 C ATOM 676 O CYS A 47 1.612 -14.307 -4.950 1.00 0.00 O ATOM 677 CB CYS A 47 2.892 -11.213 -3.417 1.00 0.00 C ATOM 678 SG CYS A 47 3.154 -10.118 -4.860 1.00 0.00 S ATOM 0 H CYS A 47 4.677 -12.078 -4.934 1.00 0.00 H new ATOM 0 HA CYS A 47 3.078 -13.253 -2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.915 -11.018 -2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.637 -11.001 -2.650 1.00 0.00 H new ATOM 0 HG CYS A 47 4.386 -9.705 -4.873 1.00 0.00 H new ATOM 684 N SER A 48 0.858 -12.177 -4.857 1.00 0.00 N ATOM 685 CA SER A 48 -0.373 -12.464 -5.573 1.00 0.00 C ATOM 686 C SER A 48 -0.793 -11.247 -6.401 1.00 0.00 C ATOM 687 O SER A 48 -1.141 -11.380 -7.573 1.00 0.00 O ATOM 688 CB SER A 48 -1.492 -12.861 -4.609 1.00 0.00 C ATOM 689 OG SER A 48 -1.314 -14.179 -4.098 1.00 0.00 O ATOM 0 H SER A 48 0.970 -11.203 -4.574 1.00 0.00 H new ATOM 0 HA SER A 48 -0.191 -13.306 -6.241 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.526 -12.153 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.452 -12.798 -5.122 1.00 0.00 H new ATOM 0 HG SER A 48 -0.443 -14.526 -4.384 1.00 0.00 H new ATOM 695 N ALA A 49 -0.746 -10.090 -5.759 1.00 0.00 N ATOM 696 CA ALA A 49 -1.117 -8.851 -6.421 1.00 0.00 C ATOM 697 C ALA A 49 -0.185 -8.615 -7.612 1.00 0.00 C ATOM 698 O ALA A 49 -0.642 -8.293 -8.707 1.00 0.00 O ATOM 699 CB ALA A 49 -1.076 -7.701 -5.412 1.00 0.00 C ATOM 0 H ALA A 49 -0.457 -9.984 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.135 -8.911 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.354 -6.771 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.776 -7.903 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.068 -7.608 -5.007 1.00 0.00 H new ATOM 705 N SER A 50 1.104 -8.785 -7.357 1.00 0.00 N ATOM 706 CA SER A 50 2.103 -8.595 -8.394 1.00 0.00 C ATOM 707 C SER A 50 1.873 -9.592 -9.532 1.00 0.00 C ATOM 708 O SER A 50 1.930 -9.224 -10.704 1.00 0.00 O ATOM 709 CB SER A 50 3.518 -8.751 -7.831 1.00 0.00 C ATOM 710 OG SER A 50 4.476 -8.015 -8.586 1.00 0.00 O ATOM 0 H SER A 50 1.479 -9.052 -6.447 1.00 0.00 H new ATOM 0 HA SER A 50 2.004 -7.581 -8.782 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.535 -8.413 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.792 -9.806 -7.827 1.00 0.00 H new ATOM 0 HG SER A 50 4.403 -7.062 -8.367 1.00 0.00 H new ATOM 716 N LEU A 51 1.617 -10.833 -9.146 1.00 0.00 N ATOM 717 CA LEU A 51 1.377 -11.885 -10.119 1.00 0.00 C ATOM 718 C LEU A 51 0.109 -11.561 -10.911 1.00 0.00 C ATOM 719 O LEU A 51 -0.099 -12.092 -12.002 1.00 0.00 O ATOM 720 CB LEU A 51 1.341 -13.252 -9.433 1.00 0.00 C ATOM 721 CG LEU A 51 2.637 -13.693 -8.749 1.00 0.00 C ATOM 722 CD1 LEU A 51 2.379 -14.849 -7.780 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.711 -14.040 -9.781 1.00 0.00 C ATOM 0 H LEU A 51 1.571 -11.134 -8.172 1.00 0.00 H new ATOM 0 HA LEU A 51 2.197 -11.936 -10.835 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.545 -13.242 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.072 -14.003 -10.176 1.00 0.00 H new ATOM 0 HG LEU A 51 3.014 -12.857 -8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.316 -15.143 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.671 -14.531 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.966 -15.697 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.622 -14.350 -9.268 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.357 -14.853 -10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.921 -13.165 -10.396 1.00 0.00 H new ATOM 735 N ALA A 52 -0.707 -10.693 -10.332 1.00 0.00 N ATOM 736 CA ALA A 52 -1.949 -10.292 -10.971 1.00 0.00 C ATOM 737 C ALA A 52 -1.639 -9.336 -12.125 1.00 0.00 C ATOM 738 O ALA A 52 -1.989 -9.609 -13.272 1.00 0.00 O ATOM 739 CB ALA A 52 -2.880 -9.667 -9.930 1.00 0.00 C ATOM 0 H ALA A 52 -0.533 -10.256 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.462 -11.158 -11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.812 -9.366 -10.409 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.093 -10.396 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.399 -8.793 -9.490 1.00 0.00 H new ATOM 745 N GLY A 53 -0.986 -8.236 -11.781 1.00 0.00 N ATOM 746 CA GLY A 53 -0.625 -7.239 -12.774 1.00 0.00 C ATOM 747 C GLY A 53 -0.463 -5.859 -12.132 1.00 0.00 C ATOM 748 O GLY A 53 -0.940 -4.861 -12.669 1.00 0.00 O ATOM 0 H GLY A 53 -0.698 -8.013 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.305 -7.528 -13.263 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.392 -7.196 -13.547 1.00 0.00 H new ATOM 752 N ALA A 54 0.211 -5.849 -10.991 1.00 0.00 N ATOM 753 CA ALA A 54 0.441 -4.608 -10.270 1.00 0.00 C ATOM 754 C ALA A 54 1.947 -4.366 -10.150 1.00 0.00 C ATOM 755 O ALA A 54 2.732 -5.313 -10.119 1.00 0.00 O ATOM 756 CB ALA A 54 -0.249 -4.675 -8.906 1.00 0.00 C ATOM 0 H ALA A 54 0.605 -6.679 -10.548 1.00 0.00 H new ATOM 0 HA ALA A 54 0.013 -3.764 -10.811 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.077 -3.745 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.320 -4.820 -9.047 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.158 -5.508 -8.333 1.00 0.00 H new ATOM 762 N LYS A 55 2.306 -3.092 -10.088 1.00 0.00 N ATOM 763 CA LYS A 55 3.704 -2.713 -9.972 1.00 0.00 C ATOM 764 C LYS A 55 3.938 -2.050 -8.613 1.00 0.00 C ATOM 765 O LYS A 55 3.053 -2.048 -7.759 1.00 0.00 O ATOM 766 CB LYS A 55 4.123 -1.844 -11.160 1.00 0.00 C ATOM 767 CG LYS A 55 4.377 -2.701 -12.402 1.00 0.00 C ATOM 768 CD LYS A 55 5.533 -2.136 -13.231 1.00 0.00 C ATOM 769 CE LYS A 55 5.034 -1.598 -14.573 1.00 0.00 C ATOM 770 NZ LYS A 55 6.173 -1.180 -15.420 1.00 0.00 N ATOM 0 H LYS A 55 1.653 -2.309 -10.116 1.00 0.00 H new ATOM 0 HA LYS A 55 4.342 -3.596 -10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.344 -1.111 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.025 -1.287 -10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.606 -3.724 -12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.474 -2.742 -13.011 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.027 -1.338 -12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.277 -2.914 -13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.454 -2.365 -15.086 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.367 -0.752 -14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.816 -0.817 -16.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.710 -0.433 -14.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.794 -1.996 -15.594 1.00 0.00 H new ATOM 784 N GLU A 56 5.134 -1.502 -8.456 1.00 0.00 N ATOM 785 CA GLU A 56 5.495 -0.838 -7.215 1.00 0.00 C ATOM 786 C GLU A 56 4.994 0.608 -7.222 1.00 0.00 C ATOM 787 O GLU A 56 4.921 1.238 -8.276 1.00 0.00 O ATOM 788 CB GLU A 56 7.006 -0.893 -6.983 1.00 0.00 C ATOM 789 CG GLU A 56 7.362 -1.948 -5.933 1.00 0.00 C ATOM 790 CD GLU A 56 8.839 -2.337 -6.025 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.296 -2.561 -7.167 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.476 -2.402 -4.952 1.00 0.00 O ATOM 0 H GLU A 56 5.865 -1.504 -9.167 1.00 0.00 H new ATOM 0 HA GLU A 56 5.015 -1.365 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.513 -1.122 -7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.363 0.084 -6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.145 -1.562 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.740 -2.832 -6.075 1.00 0.00 H new ATOM 799 N GLY A 57 4.662 1.091 -6.034 1.00 0.00 N ATOM 800 CA GLY A 57 4.170 2.451 -5.890 1.00 0.00 C ATOM 801 C GLY A 57 2.762 2.589 -6.471 1.00 0.00 C ATOM 802 O GLY A 57 2.336 3.688 -6.821 1.00 0.00 O ATOM 0 H GLY A 57 4.724 0.565 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.161 2.729 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.845 3.141 -6.396 1.00 0.00 H new ATOM 806 N ASP A 58 2.078 1.457 -6.557 1.00 0.00 N ATOM 807 CA ASP A 58 0.726 1.438 -7.090 1.00 0.00 C ATOM 808 C ASP A 58 -0.227 2.072 -6.076 1.00 0.00 C ATOM 809 O ASP A 58 -0.306 1.628 -4.931 1.00 0.00 O ATOM 810 CB ASP A 58 0.256 0.005 -7.349 1.00 0.00 C ATOM 811 CG ASP A 58 0.954 -0.705 -8.510 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.911 -0.107 -9.049 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.516 -1.830 -8.834 1.00 0.00 O ATOM 0 H ASP A 58 2.435 0.547 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 58 0.726 1.993 -8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.407 -0.580 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.816 0.020 -7.544 1.00 0.00 H new ATOM 818 N TYR A 59 -0.926 3.101 -6.532 1.00 0.00 N ATOM 819 CA TYR A 59 -1.871 3.801 -5.678 1.00 0.00 C ATOM 820 C TYR A 59 -3.294 3.282 -5.894 1.00 0.00 C ATOM 821 O TYR A 59 -3.898 3.531 -6.936 1.00 0.00 O ATOM 822 CB TYR A 59 -1.808 5.271 -6.096 1.00 0.00 C ATOM 823 CG TYR A 59 -0.430 5.911 -5.916 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.580 5.638 -6.817 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.197 6.761 -4.854 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.877 6.240 -6.648 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.101 7.363 -4.685 1.00 0.00 C ATOM 828 CZ TYR A 59 2.074 7.073 -5.590 1.00 0.00 C ATOM 829 OH TYR A 59 3.299 7.641 -5.431 1.00 0.00 O ATOM 0 H TYR A 59 -0.857 3.467 -7.482 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.621 3.654 -4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.102 5.353 -7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.538 5.835 -5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.397 4.973 -7.648 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.987 6.975 -4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.676 6.035 -7.345 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.297 8.030 -3.858 1.00 0.00 H new ATOM 0 HH TYR A 59 3.955 6.947 -5.211 1.00 0.00 H new ATOM 839 N ILE A 60 -3.789 2.571 -4.892 1.00 0.00 N ATOM 840 CA ILE A 60 -5.130 2.015 -4.959 1.00 0.00 C ATOM 841 C ILE A 60 -6.145 3.155 -5.059 1.00 0.00 C ATOM 842 O ILE A 60 -6.120 4.085 -4.254 1.00 0.00 O ATOM 843 CB ILE A 60 -5.378 1.071 -3.781 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.262 0.030 -3.667 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.760 0.421 -3.880 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.821 -0.144 -2.212 1.00 0.00 C ATOM 0 H ILE A 60 -3.285 2.367 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.246 1.405 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.364 1.660 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.609 -0.925 -4.062 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.411 0.336 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.910 -0.245 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.527 1.195 -3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.828 -0.151 -4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.027 -0.889 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.452 0.807 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.669 -0.474 -1.612 1.00 0.00 H new ATOM 858 N VAL A 61 -7.015 3.045 -6.052 1.00 0.00 N ATOM 859 CA VAL A 61 -8.037 4.054 -6.267 1.00 0.00 C ATOM 860 C VAL A 61 -9.408 3.468 -5.924 1.00 0.00 C ATOM 861 O VAL A 61 -10.286 4.177 -5.436 1.00 0.00 O ATOM 862 CB VAL A 61 -7.956 4.584 -7.700 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.746 5.504 -7.877 1.00 0.00 C ATOM 864 CG2 VAL A 61 -7.922 3.435 -8.709 1.00 0.00 C ATOM 0 H VAL A 61 -7.033 2.272 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.874 4.907 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.854 5.171 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.712 5.867 -8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.830 6.351 -7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.833 4.951 -7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.864 3.840 -9.719 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.050 2.809 -8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.827 2.836 -8.609 1.00 0.00 H new ATOM 874 N SER A 62 -9.548 2.178 -6.192 1.00 0.00 N ATOM 875 CA SER A 62 -10.797 1.488 -5.918 1.00 0.00 C ATOM 876 C SER A 62 -10.521 0.022 -5.576 1.00 0.00 C ATOM 877 O SER A 62 -9.395 -0.451 -5.721 1.00 0.00 O ATOM 878 CB SER A 62 -11.753 1.584 -7.108 1.00 0.00 C ATOM 879 OG SER A 62 -12.096 0.300 -7.623 1.00 0.00 O ATOM 0 H SER A 62 -8.817 1.593 -6.596 1.00 0.00 H new ATOM 0 HA SER A 62 -11.273 1.971 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.660 2.106 -6.803 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.292 2.179 -7.896 1.00 0.00 H new ATOM 0 HG SER A 62 -12.709 0.404 -8.381 1.00 0.00 H new ATOM 885 N ILE A 63 -11.568 -0.655 -5.128 1.00 0.00 N ATOM 886 CA ILE A 63 -11.452 -2.057 -4.764 1.00 0.00 C ATOM 887 C ILE A 63 -12.825 -2.723 -4.874 1.00 0.00 C ATOM 888 O ILE A 63 -13.656 -2.591 -3.977 1.00 0.00 O ATOM 889 CB ILE A 63 -10.807 -2.201 -3.384 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.390 -1.626 -3.379 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.837 -3.657 -2.915 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.661 -1.977 -2.080 1.00 0.00 C ATOM 0 H ILE A 63 -12.500 -0.259 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.789 -2.577 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.392 -1.621 -2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.832 -2.016 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.433 -0.543 -3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.373 -3.732 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.870 -3.999 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.290 -4.279 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.656 -1.556 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.209 -1.564 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.599 -3.061 -1.979 1.00 0.00 H new ATOM 904 N GLN A 64 -13.021 -3.424 -5.981 1.00 0.00 N ATOM 905 CA GLN A 64 -14.279 -4.110 -6.220 1.00 0.00 C ATOM 906 C GLN A 64 -15.388 -3.099 -6.518 1.00 0.00 C ATOM 907 O GLN A 64 -16.566 -3.387 -6.318 1.00 0.00 O ATOM 908 CB GLN A 64 -14.653 -4.999 -5.032 1.00 0.00 C ATOM 909 CG GLN A 64 -14.499 -6.480 -5.385 1.00 0.00 C ATOM 910 CD GLN A 64 -15.798 -7.042 -5.967 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.706 -6.318 -6.340 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.835 -8.370 -6.023 1.00 0.00 N ATOM 0 H GLN A 64 -12.329 -3.532 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.158 -4.754 -7.091 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.019 -4.757 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.682 -4.798 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.690 -6.604 -6.105 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.222 -7.043 -4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.039 -8.917 -5.694 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.659 -8.842 -6.395 1.00 0.00 H new ATOM 921 N GLY A 65 -14.970 -1.934 -6.992 1.00 0.00 N ATOM 922 CA GLY A 65 -15.913 -0.878 -7.320 1.00 0.00 C ATOM 923 C GLY A 65 -16.217 -0.014 -6.095 1.00 0.00 C ATOM 924 O GLY A 65 -17.307 0.544 -5.979 1.00 0.00 O ATOM 0 H GLY A 65 -13.991 -1.698 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.505 -0.255 -8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.837 -1.315 -7.699 1.00 0.00 H new ATOM 928 N VAL A 66 -15.234 0.068 -5.210 1.00 0.00 N ATOM 929 CA VAL A 66 -15.382 0.855 -3.998 1.00 0.00 C ATOM 930 C VAL A 66 -14.417 2.041 -4.043 1.00 0.00 C ATOM 931 O VAL A 66 -13.402 1.994 -4.736 1.00 0.00 O ATOM 932 CB VAL A 66 -15.179 -0.034 -2.769 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.148 0.800 -1.487 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.256 -1.118 -2.693 1.00 0.00 C ATOM 0 H VAL A 66 -14.332 -0.398 -5.309 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.391 1.260 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.213 -0.528 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.003 0.143 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.328 1.516 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.091 1.335 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.089 -1.736 -1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.239 -0.651 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.209 -1.741 -3.586 1.00 0.00 H new ATOM 944 N ASP A 67 -14.768 3.077 -3.295 1.00 0.00 N ATOM 945 CA ASP A 67 -13.945 4.274 -3.241 1.00 0.00 C ATOM 946 C ASP A 67 -12.724 4.009 -2.358 1.00 0.00 C ATOM 947 O ASP A 67 -12.863 3.733 -1.167 1.00 0.00 O ATOM 948 CB ASP A 67 -14.719 5.447 -2.638 1.00 0.00 C ATOM 949 CG ASP A 67 -14.199 6.833 -3.027 1.00 0.00 C ATOM 950 OD1 ASP A 67 -12.961 6.963 -3.140 1.00 0.00 O ATOM 951 OD2 ASP A 67 -15.052 7.730 -3.202 1.00 0.00 O ATOM 0 H ASP A 67 -15.611 3.112 -2.722 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.646 4.524 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.763 5.369 -2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.696 5.358 -1.552 1.00 0.00 H new ATOM 956 N CYS A 68 -11.556 4.101 -2.975 1.00 0.00 N ATOM 957 CA CYS A 68 -10.311 3.875 -2.260 1.00 0.00 C ATOM 958 C CYS A 68 -9.282 4.895 -2.752 1.00 0.00 C ATOM 959 O CYS A 68 -8.140 4.540 -3.042 1.00 0.00 O ATOM 960 CB CYS A 68 -9.815 2.438 -2.428 1.00 0.00 C ATOM 961 SG CYS A 68 -10.951 1.281 -1.578 1.00 0.00 S ATOM 0 H CYS A 68 -11.445 4.329 -3.963 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.473 4.011 -1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.753 2.187 -3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.810 2.341 -2.018 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.054 1.899 -1.276 1.00 0.00 H new ATOM 967 N LYS A 69 -9.723 6.142 -2.832 1.00 0.00 N ATOM 968 CA LYS A 69 -8.854 7.215 -3.284 1.00 0.00 C ATOM 969 C LYS A 69 -8.534 8.137 -2.106 1.00 0.00 C ATOM 970 O LYS A 69 -7.455 8.725 -2.049 1.00 0.00 O ATOM 971 CB LYS A 69 -9.476 7.940 -4.480 1.00 0.00 C ATOM 972 CG LYS A 69 -8.408 8.312 -5.511 1.00 0.00 C ATOM 973 CD LYS A 69 -8.833 9.538 -6.322 1.00 0.00 C ATOM 974 CE LYS A 69 -9.920 9.174 -7.336 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.388 9.251 -8.715 1.00 0.00 N ATOM 0 H LYS A 69 -10.671 6.433 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.906 6.812 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.229 7.303 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.987 8.841 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.464 8.515 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.235 7.470 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.202 10.313 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.969 9.952 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.289 8.168 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.768 9.851 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.138 9.001 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.058 10.218 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.594 8.587 -8.818 1.00 0.00 H new ATOM 989 N TRP A 70 -9.490 8.233 -1.194 1.00 0.00 N ATOM 990 CA TRP A 70 -9.323 9.073 -0.020 1.00 0.00 C ATOM 991 C TRP A 70 -9.055 8.162 1.179 1.00 0.00 C ATOM 992 O TRP A 70 -8.331 8.538 2.099 1.00 0.00 O ATOM 993 CB TRP A 70 -10.536 9.983 0.180 1.00 0.00 C ATOM 994 CG TRP A 70 -11.058 10.618 -1.111 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.886 10.081 -2.018 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.752 11.939 -1.604 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.135 10.956 -3.056 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.423 12.122 -2.796 1.00 0.00 C ATOM 999 CE3 TRP A 70 -9.935 12.946 -1.062 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.346 13.301 -3.547 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -9.868 14.119 -1.824 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.537 14.319 -3.025 1.00 0.00 C ATOM 0 H TRP A 70 -10.383 7.743 -1.244 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.473 9.744 -0.144 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.339 9.406 0.639 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.272 10.775 0.881 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.306 9.088 -1.946 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.731 10.780 -3.865 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.401 12.825 -0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -11.881 13.419 -4.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.253 14.925 -1.452 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.434 15.255 -3.554 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.654 6.981 1.130 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.489 6.013 2.200 1.00 0.00 C ATOM 1015 C LEU A 71 -8.014 5.949 2.602 1.00 0.00 C ATOM 1016 O LEU A 71 -7.133 6.216 1.786 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.074 4.659 1.794 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.583 4.628 1.545 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.090 3.189 1.427 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.333 5.414 2.622 1.00 0.00 C ATOM 0 H LEU A 71 -10.255 6.673 0.365 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.048 6.324 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.569 4.325 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.840 3.935 2.575 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.782 5.118 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.166 3.196 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.589 2.694 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.877 2.651 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.404 5.376 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.131 4.975 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.999 6.452 2.614 1.00 0.00 H new ATOM 1032 N THR A 72 -7.791 5.595 3.859 1.00 0.00 N ATOM 1033 CA THR A 72 -6.438 5.494 4.379 1.00 0.00 C ATOM 1034 C THR A 72 -5.928 4.056 4.261 1.00 0.00 C ATOM 1035 O THR A 72 -6.481 3.257 3.507 1.00 0.00 O ATOM 1036 CB THR A 72 -6.442 6.021 5.816 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.273 5.101 6.520 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.173 7.358 5.946 1.00 0.00 C ATOM 0 H THR A 72 -8.524 5.375 4.533 1.00 0.00 H new ATOM 0 HA THR A 72 -5.745 6.101 3.797 1.00 0.00 H new ATOM 0 HB THR A 72 -5.416 6.133 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.330 5.366 7.462 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.147 7.688 6.985 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.685 8.102 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.209 7.238 5.629 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.877 3.771 5.017 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.286 2.444 5.006 1.00 0.00 C ATOM 1048 C VAL A 73 -5.215 1.470 5.734 1.00 0.00 C ATOM 1049 O VAL A 73 -5.444 0.357 5.265 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.881 2.492 5.609 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.371 1.085 5.924 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.913 3.231 4.683 1.00 0.00 C ATOM 0 H VAL A 73 -4.420 4.436 5.641 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.175 2.085 3.983 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.937 3.045 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.370 1.148 6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.041 0.606 6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.337 0.496 5.007 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.921 3.251 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.864 2.717 3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.263 4.252 4.531 1.00 0.00 H new ATOM 1062 N SER A 74 -5.726 1.926 6.869 1.00 0.00 N ATOM 1063 CA SER A 74 -6.625 1.110 7.666 1.00 0.00 C ATOM 1064 C SER A 74 -7.869 0.751 6.851 1.00 0.00 C ATOM 1065 O SER A 74 -8.173 -0.425 6.660 1.00 0.00 O ATOM 1066 CB SER A 74 -7.025 1.829 8.956 1.00 0.00 C ATOM 1067 OG SER A 74 -7.547 0.930 9.930 1.00 0.00 O ATOM 0 H SER A 74 -5.534 2.850 7.255 1.00 0.00 H new ATOM 0 HA SER A 74 -6.102 0.194 7.940 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.157 2.345 9.367 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.771 2.591 8.730 1.00 0.00 H new ATOM 0 HG SER A 74 -7.789 1.428 10.739 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.555 1.787 6.391 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.759 1.597 5.600 1.00 0.00 C ATOM 1075 C GLU A 75 -9.530 0.521 4.537 1.00 0.00 C ATOM 1076 O GLU A 75 -10.069 -0.580 4.637 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.209 2.912 4.962 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.068 3.726 5.932 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.353 5.014 6.348 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.324 5.943 5.512 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -9.852 5.039 7.493 1.00 0.00 O ATOM 0 H GLU A 75 -8.300 2.761 6.551 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.557 1.262 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.336 3.494 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.776 2.705 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.021 3.970 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.291 3.128 6.816 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.730 0.877 3.543 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.423 -0.044 2.462 1.00 0.00 C ATOM 1090 C VAL A 76 -8.167 -1.437 3.041 1.00 0.00 C ATOM 1091 O VAL A 76 -8.828 -2.402 2.663 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.248 0.487 1.639 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.780 -0.552 0.618 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.610 1.806 0.953 1.00 0.00 C ATOM 0 H VAL A 76 -8.285 1.791 3.463 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.269 -0.126 1.779 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.421 0.681 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.944 -0.149 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.462 -1.456 1.138 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.600 -0.792 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.757 2.161 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.459 1.649 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.872 2.548 1.707 1.00 0.00 H new ATOM 1104 N MET A 77 -7.205 -1.496 3.951 1.00 0.00 N ATOM 1105 CA MET A 77 -6.852 -2.754 4.587 1.00 0.00 C ATOM 1106 C MET A 77 -8.105 -3.541 4.977 1.00 0.00 C ATOM 1107 O MET A 77 -8.143 -4.763 4.839 1.00 0.00 O ATOM 1108 CB MET A 77 -6.013 -2.478 5.836 1.00 0.00 C ATOM 1109 CG MET A 77 -4.519 -2.608 5.533 1.00 0.00 C ATOM 1110 SD MET A 77 -4.144 -4.276 5.020 1.00 0.00 S ATOM 1111 CE MET A 77 -3.097 -3.940 3.614 1.00 0.00 C ATOM 0 H MET A 77 -6.659 -0.693 4.263 1.00 0.00 H new ATOM 0 HA MET A 77 -6.277 -3.349 3.878 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.226 -1.476 6.208 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.290 -3.176 6.626 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.236 -1.905 4.749 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.936 -2.351 6.418 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.535 -4.837 3.356 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.712 -3.641 2.765 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.404 -3.136 3.860 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.100 -2.808 5.455 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.351 -3.423 5.866 1.00 0.00 C ATOM 1123 C LYS A 78 -11.180 -3.761 4.625 1.00 0.00 C ATOM 1124 O LYS A 78 -11.830 -4.804 4.574 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.083 -2.528 6.869 1.00 0.00 C ATOM 1126 CG LYS A 78 -12.598 -2.599 6.663 1.00 0.00 C ATOM 1127 CD LYS A 78 -13.344 -2.125 7.912 1.00 0.00 C ATOM 1128 CE LYS A 78 -14.844 -2.399 7.791 1.00 0.00 C ATOM 1129 NZ LYS A 78 -15.507 -1.323 7.021 1.00 0.00 N ATOM 0 H LYS A 78 -9.065 -1.795 5.567 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.161 -4.361 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.836 -2.836 7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.745 -1.498 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.882 -1.983 5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.889 -3.623 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.948 -2.633 8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.176 -1.058 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.006 -3.359 7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.288 -2.470 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.525 -1.525 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.368 -0.413 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.095 -1.274 6.067 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.129 -2.861 3.655 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.866 -3.051 2.417 1.00 0.00 C ATOM 1145 C LEU A 79 -11.309 -4.270 1.679 1.00 0.00 C ATOM 1146 O LEU A 79 -12.008 -4.888 0.877 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.855 -1.768 1.584 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.217 -1.273 1.095 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.548 0.098 1.688 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.283 -1.267 -0.434 1.00 0.00 C ATOM 0 H LEU A 79 -10.588 -1.997 3.701 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.916 -3.257 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.395 -0.978 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.216 -1.928 0.716 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.979 -1.969 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.522 0.426 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.572 0.028 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.787 0.818 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.262 -0.911 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.510 -0.608 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.124 -2.278 -0.809 1.00 0.00 H new ATOM 1162 N LEU A 80 -10.055 -4.579 1.975 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.396 -5.712 1.349 1.00 0.00 C ATOM 1164 C LEU A 80 -9.678 -6.975 2.165 1.00 0.00 C ATOM 1165 O LEU A 80 -10.033 -8.013 1.607 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.906 -5.425 1.155 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.487 -4.965 -0.243 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -6.003 -4.595 -0.276 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.840 -6.018 -1.295 1.00 0.00 C ATOM 0 H LEU A 80 -9.478 -4.064 2.640 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.797 -5.882 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.607 -4.660 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.347 -6.328 1.401 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.048 -4.064 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.731 -4.272 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.814 -3.786 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.405 -5.464 -0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.532 -5.666 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.324 -6.950 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.916 -6.189 -1.292 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.510 -6.846 3.473 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.743 -7.964 4.371 1.00 0.00 C ATOM 1183 C LYS A 81 -11.155 -8.509 4.146 1.00 0.00 C ATOM 1184 O LYS A 81 -11.339 -9.712 3.970 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.465 -7.555 5.819 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.975 -7.670 6.145 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.557 -6.621 7.177 1.00 0.00 C ATOM 1188 CE LYS A 81 -6.158 -6.079 6.873 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.412 -5.836 8.127 1.00 0.00 N ATOM 0 H LYS A 81 -9.215 -5.984 3.932 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.050 -8.777 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.798 -6.530 5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.039 -8.188 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.759 -8.668 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.389 -7.543 5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.276 -5.802 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.572 -7.061 8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.614 -6.790 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.236 -5.152 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.465 -5.469 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.924 -5.141 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.321 -6.727 8.655 1.00 0.00 H new ATOM 1203 N SER A 82 -12.115 -7.597 4.159 1.00 0.00 N ATOM 1204 CA SER A 82 -13.505 -7.971 3.958 1.00 0.00 C ATOM 1205 C SER A 82 -13.626 -8.908 2.755 1.00 0.00 C ATOM 1206 O SER A 82 -14.514 -9.759 2.713 1.00 0.00 O ATOM 1207 CB SER A 82 -14.384 -6.735 3.759 1.00 0.00 C ATOM 1208 OG SER A 82 -15.772 -7.060 3.763 1.00 0.00 O ATOM 0 H SER A 82 -11.958 -6.600 4.306 1.00 0.00 H new ATOM 0 HA SER A 82 -13.852 -8.491 4.851 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.179 -6.013 4.549 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.127 -6.256 2.815 1.00 0.00 H new ATOM 0 HG SER A 82 -16.299 -6.244 3.635 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.721 -8.721 1.806 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.715 -9.539 0.605 1.00 0.00 C ATOM 1216 C PHE A 83 -11.583 -10.567 0.647 1.00 0.00 C ATOM 1217 O PHE A 83 -10.952 -10.843 -0.372 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.489 -8.596 -0.578 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.496 -7.447 -0.660 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.806 -7.669 -0.368 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.081 -6.204 -1.024 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.740 -6.602 -0.444 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.016 -5.138 -1.100 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.326 -5.360 -0.808 1.00 0.00 C ATOM 0 H PHE A 83 -11.986 -8.015 1.844 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.657 -10.080 0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.484 -8.180 -0.511 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.535 -9.172 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.135 -8.656 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.041 -6.028 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.780 -6.778 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.687 -4.151 -1.390 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.037 -4.549 -0.865 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.359 -11.105 1.837 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.313 -12.096 2.025 1.00 0.00 C ATOM 1236 C GLY A 84 -10.699 -13.430 1.383 1.00 0.00 C ATOM 1237 O GLY A 84 -11.790 -13.945 1.623 1.00 0.00 O ATOM 0 H GLY A 84 -11.884 -10.873 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.382 -11.734 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.131 -12.240 3.090 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.784 -13.950 0.579 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.015 -15.214 -0.099 1.00 0.00 C ATOM 1243 C GLY A 85 -11.081 -15.065 -1.187 1.00 0.00 C ATOM 1244 O GLY A 85 -11.649 -16.056 -1.643 1.00 0.00 O ATOM 0 H GLY A 85 -8.881 -13.519 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.085 -15.568 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.330 -15.966 0.624 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.320 -13.820 -1.570 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.308 -13.529 -2.595 1.00 0.00 C ATOM 1250 C GLU A 86 -11.686 -12.679 -3.705 1.00 0.00 C ATOM 1251 O GLU A 86 -11.067 -11.652 -3.432 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.533 -12.837 -1.995 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.169 -13.698 -0.902 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.696 -13.622 -0.963 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.217 -12.503 -0.763 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.308 -14.684 -1.208 1.00 0.00 O ATOM 0 H GLU A 86 -10.847 -13.001 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.641 -14.472 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.243 -11.872 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.264 -12.640 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.848 -14.733 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.823 -13.364 0.076 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.873 -13.138 -4.933 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.339 -12.433 -6.085 1.00 0.00 C ATOM 1265 C GLU A 87 -11.993 -11.056 -6.215 1.00 0.00 C ATOM 1266 O GLU A 87 -13.213 -10.953 -6.337 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.525 -13.251 -7.365 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.249 -13.248 -8.209 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.317 -14.308 -9.310 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -10.110 -15.493 -8.970 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.575 -13.909 -10.466 1.00 0.00 O ATOM 0 H GLU A 87 -12.387 -13.990 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.268 -12.293 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.794 -14.276 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.351 -12.840 -7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.106 -12.264 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.386 -13.437 -7.570 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.153 -10.032 -6.185 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.635 -8.665 -6.298 1.00 0.00 C ATOM 1280 C VAL A 88 -10.893 -7.960 -7.435 1.00 0.00 C ATOM 1281 O VAL A 88 -9.911 -8.484 -7.960 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.491 -7.947 -4.954 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.142 -8.754 -3.829 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.021 -7.658 -4.642 1.00 0.00 C ATOM 0 H VAL A 88 -10.142 -10.121 -6.084 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.696 -8.653 -6.546 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.012 -6.992 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.026 -8.222 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.203 -8.886 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.662 -9.730 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.946 -7.147 -3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.467 -8.596 -4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.601 -7.025 -5.423 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.391 -6.782 -7.783 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.788 -6.000 -8.848 1.00 0.00 C ATOM 1296 C GLU A 89 -10.200 -4.703 -8.287 1.00 0.00 C ATOM 1297 O GLU A 89 -10.927 -3.739 -8.051 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.802 -5.708 -9.956 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.282 -6.184 -11.314 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.427 -6.327 -12.319 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.335 -7.137 -12.033 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.368 -5.624 -13.350 1.00 0.00 O ATOM 0 H GLU A 89 -12.205 -6.351 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.978 -6.583 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.746 -6.204 -9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.005 -4.638 -9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.546 -5.476 -11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.773 -7.141 -11.198 1.00 0.00 H new ATOM 1309 N MET A 90 -8.890 -4.722 -8.090 1.00 0.00 N ATOM 1310 CA MET A 90 -8.197 -3.559 -7.561 1.00 0.00 C ATOM 1311 C MET A 90 -7.682 -2.667 -8.692 1.00 0.00 C ATOM 1312 O MET A 90 -7.093 -3.156 -9.654 1.00 0.00 O ATOM 1313 CB MET A 90 -7.021 -4.016 -6.695 1.00 0.00 C ATOM 1314 CG MET A 90 -6.310 -2.820 -6.060 1.00 0.00 C ATOM 1315 SD MET A 90 -5.165 -3.382 -4.811 1.00 0.00 S ATOM 1316 CE MET A 90 -4.215 -4.553 -5.766 1.00 0.00 C ATOM 0 H MET A 90 -8.290 -5.523 -8.287 1.00 0.00 H new ATOM 0 HA MET A 90 -8.900 -2.982 -6.960 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.379 -4.687 -5.914 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.315 -4.582 -7.303 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.778 -2.255 -6.825 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.042 -2.145 -5.617 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.110 -5.481 -5.204 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.727 -4.755 -6.707 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.228 -4.139 -5.971 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.922 -1.373 -8.537 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.490 -0.407 -9.534 1.00 0.00 C ATOM 1328 C LYS A 91 -6.311 0.396 -8.981 1.00 0.00 C ATOM 1329 O LYS A 91 -6.328 0.815 -7.825 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.667 0.460 -9.985 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.593 -0.318 -10.923 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.541 -1.222 -10.132 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.791 -1.553 -10.949 1.00 0.00 C ATOM 1334 NZ LYS A 91 -12.846 -2.115 -10.076 1.00 0.00 N ATOM 0 H LYS A 91 -8.410 -0.971 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.137 -0.916 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.228 0.800 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.294 1.350 -10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.171 0.379 -11.530 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.998 -0.921 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.027 -2.143 -9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.829 -0.729 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.159 -0.653 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.541 -2.267 -11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.435 -2.774 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -12.406 -2.622 -9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.439 -1.344 -9.708 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.315 0.587 -9.834 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.130 1.333 -9.445 1.00 0.00 C ATOM 1350 C VAL A 92 -3.780 2.335 -10.547 1.00 0.00 C ATOM 1351 O VAL A 92 -4.248 2.209 -11.677 1.00 0.00 O ATOM 1352 CB VAL A 92 -2.985 0.368 -9.128 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.327 -0.511 -7.924 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.634 -0.485 -10.349 1.00 0.00 C ATOM 0 H VAL A 92 -5.304 0.238 -10.792 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.318 1.903 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.107 0.961 -8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.497 -1.187 -7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.505 0.119 -7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.224 -1.092 -8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.818 -1.162 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.506 -1.065 -10.651 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.328 0.163 -11.170 1.00 0.00 H new ATOM 1364 N VAL A 93 -2.959 3.308 -10.178 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.540 4.331 -11.121 1.00 0.00 C ATOM 1366 C VAL A 93 -1.106 4.756 -10.802 1.00 0.00 C ATOM 1367 O VAL A 93 -0.538 4.333 -9.796 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.529 5.499 -11.099 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -4.663 5.276 -12.101 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.079 5.725 -9.690 1.00 0.00 C ATOM 0 H VAL A 93 -2.573 3.409 -9.239 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.544 3.938 -12.138 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.991 6.399 -11.397 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.351 6.120 -12.065 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.249 5.188 -13.105 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.198 4.361 -11.847 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.779 6.560 -9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.593 4.826 -9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.257 5.950 -9.010 1.00 0.00 H new ATOM 1380 N SER A 94 -0.560 5.587 -11.678 1.00 0.00 N ATOM 1381 CA SER A 94 0.798 6.074 -11.503 1.00 0.00 C ATOM 1382 C SER A 94 0.783 7.581 -11.240 1.00 0.00 C ATOM 1383 O SER A 94 -0.061 8.300 -11.774 1.00 0.00 O ATOM 1384 CB SER A 94 1.659 5.757 -12.726 1.00 0.00 C ATOM 1385 OG SER A 94 1.469 4.420 -13.181 1.00 0.00 O ATOM 0 H SER A 94 -1.034 5.936 -12.511 1.00 0.00 H new ATOM 0 HA SER A 94 1.236 5.566 -10.644 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.416 6.452 -13.530 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.710 5.910 -12.479 1.00 0.00 H new ATOM 0 HG SER A 94 2.035 4.257 -13.964 1.00 0.00 H new ATOM 1391 N LEU A 95 1.727 8.016 -10.418 1.00 0.00 N ATOM 1392 CA LEU A 95 1.834 9.425 -10.079 1.00 0.00 C ATOM 1393 C LEU A 95 2.751 10.120 -11.087 1.00 0.00 C ATOM 1394 O LEU A 95 3.921 9.764 -11.216 1.00 0.00 O ATOM 1395 CB LEU A 95 2.279 9.593 -8.625 1.00 0.00 C ATOM 1396 CG LEU A 95 1.432 10.539 -7.770 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.345 10.042 -6.325 1.00 0.00 C ATOM 1398 CD2 LEU A 95 1.960 11.972 -7.852 1.00 0.00 C ATOM 0 H LEU A 95 2.425 7.417 -9.977 1.00 0.00 H new ATOM 0 HA LEU A 95 0.860 9.909 -10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.282 8.611 -8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.308 9.953 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 95 0.418 10.546 -8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.738 10.732 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.889 9.052 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.346 9.987 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.341 12.624 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.988 12.002 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.928 12.313 -8.887 1.00 0.00 H new ATOM 1410 N LEU A 96 2.185 11.100 -11.776 1.00 0.00 N ATOM 1411 CA LEU A 96 2.937 11.848 -12.769 1.00 0.00 C ATOM 1412 C LEU A 96 3.130 13.285 -12.279 1.00 0.00 C ATOM 1413 O LEU A 96 2.158 13.995 -12.027 1.00 0.00 O ATOM 1414 CB LEU A 96 2.261 11.751 -14.138 1.00 0.00 C ATOM 1415 CG LEU A 96 1.600 10.411 -14.466 1.00 0.00 C ATOM 1416 CD1 LEU A 96 0.435 10.598 -15.440 1.00 0.00 C ATOM 1417 CD2 LEU A 96 2.628 9.406 -14.990 1.00 0.00 C ATOM 0 H LEU A 96 1.214 11.393 -11.666 1.00 0.00 H new ATOM 0 HA LEU A 96 3.930 11.418 -12.899 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.504 12.533 -14.204 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.006 11.963 -14.905 1.00 0.00 H new ATOM 0 HG LEU A 96 1.187 10.000 -13.545 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.017 9.630 -15.656 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.311 11.255 -14.993 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.802 11.042 -16.365 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.132 8.462 -15.215 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.091 9.798 -15.896 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.394 9.241 -14.233 1.00 0.00 H new ATOM 1429 N ASP A 97 4.392 13.670 -12.160 1.00 0.00 N ATOM 1430 CA ASP A 97 4.726 15.010 -11.705 1.00 0.00 C ATOM 1431 C ASP A 97 5.992 15.485 -12.419 1.00 0.00 C ATOM 1432 O ASP A 97 6.801 14.672 -12.863 1.00 0.00 O ATOM 1433 CB ASP A 97 4.996 15.028 -10.199 1.00 0.00 C ATOM 1434 CG ASP A 97 4.024 15.878 -9.378 1.00 0.00 C ATOM 1435 OD1 ASP A 97 2.855 15.979 -9.810 1.00 0.00 O ATOM 1436 OD2 ASP A 97 4.471 16.407 -8.338 1.00 0.00 O ATOM 0 H ASP A 97 5.196 13.078 -12.371 1.00 0.00 H new ATOM 0 HA ASP A 97 3.882 15.663 -11.928 1.00 0.00 H new ATOM 0 HB2 ASP A 97 4.963 14.004 -9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.008 15.396 -10.031 1.00 0.00 H new ATOM 1441 N SER A 98 6.126 16.800 -12.506 1.00 0.00 N ATOM 1442 CA SER A 98 7.281 17.394 -13.158 1.00 0.00 C ATOM 1443 C SER A 98 8.559 16.686 -12.705 1.00 0.00 C ATOM 1444 O SER A 98 9.301 16.150 -13.526 1.00 0.00 O ATOM 1445 CB SER A 98 7.370 18.893 -12.862 1.00 0.00 C ATOM 1446 OG SER A 98 7.356 19.674 -14.054 1.00 0.00 O ATOM 0 H SER A 98 5.453 17.471 -12.136 1.00 0.00 H new ATOM 0 HA SER A 98 7.167 17.270 -14.235 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.535 19.187 -12.226 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.284 19.099 -12.304 1.00 0.00 H new ATOM 0 HG SER A 98 7.413 20.625 -13.823 1.00 0.00 H new ATOM 1452 N THR A 99 8.777 16.707 -11.398 1.00 0.00 N ATOM 1453 CA THR A 99 9.953 16.074 -10.825 1.00 0.00 C ATOM 1454 C THR A 99 11.222 16.596 -11.502 1.00 0.00 C ATOM 1455 O THR A 99 11.538 16.203 -12.624 1.00 0.00 O ATOM 1456 CB THR A 99 9.780 14.559 -10.945 1.00 0.00 C ATOM 1457 OG1 THR A 99 8.634 14.276 -10.146 1.00 0.00 O ATOM 1458 CG2 THR A 99 10.910 13.784 -10.264 1.00 0.00 C ATOM 0 H THR A 99 8.159 17.152 -10.720 1.00 0.00 H new ATOM 0 HA THR A 99 10.060 16.321 -9.769 1.00 0.00 H new ATOM 0 HB THR A 99 9.734 14.282 -11.998 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.449 13.314 -10.169 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.738 12.714 -10.379 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.862 14.050 -10.723 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.936 14.035 -9.204 1.00 0.00 H new ATOM 1466 N SER A 100 11.916 17.472 -10.791 1.00 0.00 N ATOM 1467 CA SER A 100 13.144 18.052 -11.308 1.00 0.00 C ATOM 1468 C SER A 100 14.143 18.265 -10.169 1.00 0.00 C ATOM 1469 O SER A 100 13.750 18.559 -9.041 1.00 0.00 O ATOM 1470 CB SER A 100 12.869 19.374 -12.027 1.00 0.00 C ATOM 1471 OG SER A 100 13.160 19.295 -13.420 1.00 0.00 O ATOM 0 H SER A 100 11.651 17.795 -9.860 1.00 0.00 H new ATOM 0 HA SER A 100 13.571 17.358 -12.032 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.824 19.650 -11.890 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.469 20.164 -11.576 1.00 0.00 H new ATOM 0 HG SER A 100 12.970 20.158 -13.843 1.00 0.00 H new ATOM 1477 N SER A 101 15.415 18.108 -10.504 1.00 0.00 N ATOM 1478 CA SER A 101 16.473 18.279 -9.523 1.00 0.00 C ATOM 1479 C SER A 101 17.727 18.839 -10.198 1.00 0.00 C ATOM 1480 O SER A 101 17.798 18.908 -11.424 1.00 0.00 O ATOM 1481 CB SER A 101 16.794 16.958 -8.821 1.00 0.00 C ATOM 1482 OG SER A 101 17.430 17.162 -7.562 1.00 0.00 O ATOM 0 H SER A 101 15.737 17.864 -11.441 1.00 0.00 H new ATOM 0 HA SER A 101 16.127 18.985 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.874 16.393 -8.675 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.440 16.356 -9.460 1.00 0.00 H new ATOM 0 HG SER A 101 17.617 16.295 -7.145 1.00 0.00 H new ATOM 1488 N MET A 102 18.685 19.225 -9.368 1.00 0.00 N ATOM 1489 CA MET A 102 19.932 19.776 -9.869 1.00 0.00 C ATOM 1490 C MET A 102 21.121 19.286 -9.041 1.00 0.00 C ATOM 1491 O MET A 102 20.940 18.674 -7.989 1.00 0.00 O ATOM 1492 CB MET A 102 19.871 21.304 -9.820 1.00 0.00 C ATOM 1493 CG MET A 102 20.668 21.923 -10.971 1.00 0.00 C ATOM 1494 SD MET A 102 21.790 23.159 -10.341 1.00 0.00 S ATOM 1495 CE MET A 102 20.723 24.590 -10.370 1.00 0.00 C ATOM 0 H MET A 102 18.622 19.167 -8.352 1.00 0.00 H new ATOM 0 HA MET A 102 20.068 19.441 -10.897 1.00 0.00 H new ATOM 0 HB2 MET A 102 18.833 21.632 -9.874 1.00 0.00 H new ATOM 0 HB3 MET A 102 20.267 21.657 -8.868 1.00 0.00 H new ATOM 0 HG2 MET A 102 21.226 21.148 -11.496 1.00 0.00 H new ATOM 0 HG3 MET A 102 19.988 22.372 -11.695 1.00 0.00 H new ATOM 0 HE1 MET A 102 21.270 25.459 -10.005 1.00 0.00 H new ATOM 0 HE2 MET A 102 20.389 24.774 -11.391 1.00 0.00 H new ATOM 0 HE3 MET A 102 19.857 24.411 -9.732 1.00 0.00 H new ATOM 1505 N HIS A 103 22.312 19.572 -9.546 1.00 0.00 N ATOM 1506 CA HIS A 103 23.531 19.167 -8.866 1.00 0.00 C ATOM 1507 C HIS A 103 24.684 20.077 -9.294 1.00 0.00 C ATOM 1508 O HIS A 103 24.531 20.893 -10.202 1.00 0.00 O ATOM 1509 CB HIS A 103 23.823 17.685 -9.111 1.00 0.00 C ATOM 1510 CG HIS A 103 24.678 17.044 -8.044 1.00 0.00 C ATOM 1511 ND1 HIS A 103 25.918 16.490 -8.311 1.00 0.00 N ATOM 1512 CD2 HIS A 103 24.460 16.875 -6.708 1.00 0.00 C ATOM 1513 CE1 HIS A 103 26.415 16.012 -7.179 1.00 0.00 C ATOM 1514 NE2 HIS A 103 25.509 16.251 -6.187 1.00 0.00 N ATOM 0 H HIS A 103 22.459 20.080 -10.418 1.00 0.00 H new ATOM 0 HA HIS A 103 23.406 19.280 -7.789 1.00 0.00 H new ATOM 0 HB2 HIS A 103 22.878 17.145 -9.178 1.00 0.00 H new ATOM 0 HB3 HIS A 103 24.321 17.578 -10.075 1.00 0.00 H new ATOM 0 HD2 HIS A 103 23.582 17.195 -6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 103 27.369 15.520 -7.062 1.00 0.00 H new ATOM 0 HE2 HIS A 103 25.620 15.993 -5.207 1.00 0.00 H new ATOM 1522 N ASN A 104 25.812 19.906 -8.621 1.00 0.00 N ATOM 1523 CA ASN A 104 26.990 20.702 -8.920 1.00 0.00 C ATOM 1524 C ASN A 104 28.171 20.187 -8.095 1.00 0.00 C ATOM 1525 O ASN A 104 27.979 19.521 -7.078 1.00 0.00 O ATOM 1526 CB ASN A 104 26.768 22.172 -8.560 1.00 0.00 C ATOM 1527 CG ASN A 104 27.052 23.079 -9.759 1.00 0.00 C ATOM 1528 OD1 ASN A 104 26.201 23.328 -10.598 1.00 0.00 O ATOM 1529 ND2 ASN A 104 28.292 23.557 -9.794 1.00 0.00 N ATOM 0 H ASN A 104 25.935 19.228 -7.869 1.00 0.00 H new ATOM 0 HA ASN A 104 27.190 20.619 -9.988 1.00 0.00 H new ATOM 0 HB2 ASN A 104 25.741 22.317 -8.225 1.00 0.00 H new ATOM 0 HB3 ASN A 104 27.416 22.448 -7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 104 28.580 24.172 -10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 104 28.955 23.309 -9.060 1.00 0.00 H new ATOM 1536 N LYS A 105 29.366 20.513 -8.563 1.00 0.00 N ATOM 1537 CA LYS A 105 30.578 20.092 -7.881 1.00 0.00 C ATOM 1538 C LYS A 105 31.574 21.253 -7.855 1.00 0.00 C ATOM 1539 O LYS A 105 31.377 22.259 -8.535 1.00 0.00 O ATOM 1540 CB LYS A 105 31.136 18.818 -8.518 1.00 0.00 C ATOM 1541 CG LYS A 105 32.075 18.089 -7.555 1.00 0.00 C ATOM 1542 CD LYS A 105 33.535 18.256 -7.981 1.00 0.00 C ATOM 1543 CE LYS A 105 33.891 17.287 -9.110 1.00 0.00 C ATOM 1544 NZ LYS A 105 35.294 17.484 -9.539 1.00 0.00 N ATOM 0 H LYS A 105 29.521 21.064 -9.407 1.00 0.00 H new ATOM 0 HA LYS A 105 30.361 19.834 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 105 30.315 18.159 -8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 105 31.672 19.069 -9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 105 31.940 18.478 -6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 105 31.820 17.030 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 105 33.707 19.281 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 105 34.189 18.081 -7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 105 33.748 16.260 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 105 33.221 17.442 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 35.519 16.819 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 35.420 18.459 -9.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 35.930 17.313 -8.734 1.00 0.00 H new ATOM 1558 N SER A 106 32.622 21.076 -7.064 1.00 0.00 N ATOM 1559 CA SER A 106 33.648 22.096 -6.941 1.00 0.00 C ATOM 1560 C SER A 106 34.928 21.484 -6.368 1.00 0.00 C ATOM 1561 O SER A 106 34.921 20.348 -5.898 1.00 0.00 O ATOM 1562 CB SER A 106 33.173 23.253 -6.059 1.00 0.00 C ATOM 1563 OG SER A 106 32.949 22.841 -4.713 1.00 0.00 O ATOM 0 H SER A 106 32.782 20.240 -6.502 1.00 0.00 H new ATOM 0 HA SER A 106 33.855 22.493 -7.935 1.00 0.00 H new ATOM 0 HB2 SER A 106 33.916 24.050 -6.075 1.00 0.00 H new ATOM 0 HB3 SER A 106 32.252 23.667 -6.469 1.00 0.00 H new ATOM 0 HG SER A 106 32.649 23.608 -4.182 1.00 0.00 H new ATOM 1569 N GLY A 107 35.997 22.265 -6.427 1.00 0.00 N ATOM 1570 CA GLY A 107 37.282 21.814 -5.921 1.00 0.00 C ATOM 1571 C GLY A 107 38.343 22.907 -6.066 1.00 0.00 C ATOM 1572 O GLY A 107 38.972 23.031 -7.116 1.00 0.00 O ATOM 0 H GLY A 107 35.999 23.207 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 107 37.185 21.533 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 107 37.597 20.922 -6.462 1.00 0.00 H new ATOM 1576 N PRO A 108 38.513 23.692 -4.969 1.00 0.00 N ATOM 1577 CA PRO A 108 39.487 24.771 -4.964 1.00 0.00 C ATOM 1578 C PRO A 108 40.910 24.224 -4.836 1.00 0.00 C ATOM 1579 O PRO A 108 41.110 23.012 -4.767 1.00 0.00 O ATOM 1580 CB PRO A 108 39.085 25.658 -3.797 1.00 0.00 C ATOM 1581 CG PRO A 108 38.190 24.805 -2.913 1.00 0.00 C ATOM 1582 CD PRO A 108 37.786 23.574 -3.708 1.00 0.00 C ATOM 0 HA PRO A 108 39.492 25.338 -5.895 1.00 0.00 H new ATOM 0 HB2 PRO A 108 39.962 26.002 -3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 108 38.558 26.546 -4.145 1.00 0.00 H new ATOM 0 HG2 PRO A 108 38.716 24.516 -2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 108 37.308 25.368 -2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 108 38.053 22.658 -3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 108 36.709 23.545 -3.873 1.00 0.00 H new ATOM 1590 N SER A 109 41.863 25.144 -4.807 1.00 0.00 N ATOM 1591 CA SER A 109 43.262 24.769 -4.689 1.00 0.00 C ATOM 1592 C SER A 109 43.686 24.789 -3.219 1.00 0.00 C ATOM 1593 O SER A 109 42.952 25.280 -2.363 1.00 0.00 O ATOM 1594 CB SER A 109 44.153 25.702 -5.511 1.00 0.00 C ATOM 1595 OG SER A 109 44.005 27.064 -5.120 1.00 0.00 O ATOM 0 H SER A 109 41.694 26.148 -4.863 1.00 0.00 H new ATOM 0 HA SER A 109 43.380 23.759 -5.081 1.00 0.00 H new ATOM 0 HB2 SER A 109 45.195 25.403 -5.396 1.00 0.00 H new ATOM 0 HB3 SER A 109 43.907 25.600 -6.568 1.00 0.00 H new ATOM 0 HG SER A 109 44.592 27.627 -5.667 1.00 0.00 H new ATOM 1601 N SER A 110 44.870 24.249 -2.971 1.00 0.00 N ATOM 1602 CA SER A 110 45.401 24.198 -1.619 1.00 0.00 C ATOM 1603 C SER A 110 46.893 23.859 -1.655 1.00 0.00 C ATOM 1604 O SER A 110 47.420 23.474 -2.697 1.00 0.00 O ATOM 1605 CB SER A 110 44.645 23.176 -0.768 1.00 0.00 C ATOM 1606 OG SER A 110 44.720 21.864 -1.318 1.00 0.00 O ATOM 0 H SER A 110 45.477 23.843 -3.683 1.00 0.00 H new ATOM 0 HA SER A 110 45.269 25.179 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 110 45.056 23.170 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 110 43.600 23.475 -0.685 1.00 0.00 H new ATOM 0 HG SER A 110 44.227 21.240 -0.745 1.00 0.00 H new ATOM 1612 N GLY A 111 47.531 24.016 -0.504 1.00 0.00 N ATOM 1613 CA GLY A 111 48.951 23.731 -0.391 1.00 0.00 C ATOM 1614 C GLY A 111 49.311 23.296 1.031 1.00 0.00 C ATOM 1615 O GLY A 111 50.467 22.987 1.315 1.00 0.00 O ATOM 0 H GLY A 111 47.090 24.337 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 111 49.225 22.946 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 111 49.526 24.617 -0.661 1.00 0.00 H new TER 1619 GLY A 111