USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0548 (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 33:sc= 1.12 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0442 X(o=-0.044,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.93) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0687 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc=-0.00281 X(o=-0.0028,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 37 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.16) USER MOD Single : A 38 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.13) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.49) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 74 SER OG : rot 21:sc= 0.211 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 41:sc= 0.00227 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.768 21.247 -4.795 1.00 0.00 N ATOM 2 CA GLY A 1 -3.193 21.400 -4.554 1.00 0.00 C ATOM 3 C GLY A 1 -3.506 21.341 -3.057 1.00 0.00 C ATOM 4 O GLY A 1 -2.660 21.676 -2.229 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.456 21.954 -5.491 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.249 21.384 -3.905 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.579 20.293 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.535 22.351 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.740 20.614 -5.075 1.00 0.00 H new ATOM 8 N SER A 2 -4.723 20.913 -2.756 1.00 0.00 N ATOM 9 CA SER A 2 -5.157 20.805 -1.374 1.00 0.00 C ATOM 10 C SER A 2 -6.444 19.982 -1.292 1.00 0.00 C ATOM 11 O SER A 2 -7.542 20.536 -1.298 1.00 0.00 O ATOM 12 CB SER A 2 -5.372 22.188 -0.755 1.00 0.00 C ATOM 13 OG SER A 2 -4.897 22.253 0.587 1.00 0.00 O ATOM 0 H SER A 2 -5.422 20.637 -3.446 1.00 0.00 H new ATOM 0 HA SER A 2 -4.374 20.300 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.860 22.938 -1.357 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.434 22.433 -0.776 1.00 0.00 H new ATOM 0 HG SER A 2 -5.051 23.152 0.945 1.00 0.00 H new ATOM 19 N SER A 3 -6.266 18.671 -1.217 1.00 0.00 N ATOM 20 CA SER A 3 -7.399 17.765 -1.135 1.00 0.00 C ATOM 21 C SER A 3 -8.222 17.838 -2.422 1.00 0.00 C ATOM 22 O SER A 3 -8.264 18.878 -3.078 1.00 0.00 O ATOM 23 CB SER A 3 -8.277 18.091 0.075 1.00 0.00 C ATOM 24 OG SER A 3 -8.126 17.131 1.118 1.00 0.00 O ATOM 0 H SER A 3 -5.354 18.215 -1.211 1.00 0.00 H new ATOM 0 HA SER A 3 -7.018 16.751 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.020 19.081 0.453 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.321 18.129 -0.235 1.00 0.00 H new ATOM 0 HG SER A 3 -8.701 17.375 1.873 1.00 0.00 H new ATOM 30 N GLY A 4 -8.856 16.720 -2.746 1.00 0.00 N ATOM 31 CA GLY A 4 -9.676 16.644 -3.943 1.00 0.00 C ATOM 32 C GLY A 4 -11.159 16.799 -3.603 1.00 0.00 C ATOM 33 O GLY A 4 -11.569 17.816 -3.046 1.00 0.00 O ATOM 0 H GLY A 4 -8.818 15.859 -2.200 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.376 17.424 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.511 15.688 -4.441 1.00 0.00 H new ATOM 37 N SER A 5 -11.924 15.774 -3.952 1.00 0.00 N ATOM 38 CA SER A 5 -13.353 15.784 -3.691 1.00 0.00 C ATOM 39 C SER A 5 -13.919 14.369 -3.826 1.00 0.00 C ATOM 40 O SER A 5 -14.490 13.832 -2.878 1.00 0.00 O ATOM 41 CB SER A 5 -14.080 16.738 -4.640 1.00 0.00 C ATOM 42 OG SER A 5 -13.993 18.093 -4.205 1.00 0.00 O ATOM 0 H SER A 5 -11.581 14.932 -4.413 1.00 0.00 H new ATOM 0 HA SER A 5 -13.512 16.137 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.654 16.650 -5.639 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.128 16.447 -4.714 1.00 0.00 H new ATOM 0 HG SER A 5 -13.133 18.239 -3.759 1.00 0.00 H new ATOM 48 N SER A 6 -13.740 13.804 -5.011 1.00 0.00 N ATOM 49 CA SER A 6 -14.225 12.462 -5.282 1.00 0.00 C ATOM 50 C SER A 6 -13.079 11.582 -5.785 1.00 0.00 C ATOM 51 O SER A 6 -12.765 10.558 -5.179 1.00 0.00 O ATOM 52 CB SER A 6 -15.365 12.484 -6.302 1.00 0.00 C ATOM 53 OG SER A 6 -15.852 11.175 -6.586 1.00 0.00 O ATOM 0 H SER A 6 -13.265 14.252 -5.795 1.00 0.00 H new ATOM 0 HA SER A 6 -14.613 12.045 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.180 13.100 -5.922 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.018 12.950 -7.224 1.00 0.00 H new ATOM 0 HG SER A 6 -16.580 11.231 -7.240 1.00 0.00 H new ATOM 59 N GLY A 7 -12.484 12.014 -6.887 1.00 0.00 N ATOM 60 CA GLY A 7 -11.379 11.278 -7.478 1.00 0.00 C ATOM 61 C GLY A 7 -11.875 10.011 -8.177 1.00 0.00 C ATOM 62 O GLY A 7 -12.566 9.194 -7.571 1.00 0.00 O ATOM 0 H GLY A 7 -12.746 12.864 -7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.857 11.912 -8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.659 11.012 -6.704 1.00 0.00 H new ATOM 66 N TRP A 8 -11.504 9.888 -9.443 1.00 0.00 N ATOM 67 CA TRP A 8 -11.902 8.734 -10.231 1.00 0.00 C ATOM 68 C TRP A 8 -11.133 7.518 -9.712 1.00 0.00 C ATOM 69 O TRP A 8 -10.000 7.647 -9.249 1.00 0.00 O ATOM 70 CB TRP A 8 -11.683 8.987 -11.724 1.00 0.00 C ATOM 71 CG TRP A 8 -12.977 9.114 -12.530 1.00 0.00 C ATOM 72 CD1 TRP A 8 -13.690 8.137 -13.106 1.00 0.00 C ATOM 73 CD2 TRP A 8 -13.688 10.334 -12.829 1.00 0.00 C ATOM 74 NE1 TRP A 8 -14.803 8.635 -13.751 1.00 0.00 N ATOM 75 CE2 TRP A 8 -14.802 10.014 -13.577 1.00 0.00 C ATOM 76 CE3 TRP A 8 -13.399 11.665 -12.478 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -15.717 10.969 -14.038 1.00 0.00 C ATOM 78 CZ3 TRP A 8 -14.323 12.607 -12.946 1.00 0.00 C ATOM 79 CH2 TRP A 8 -15.449 12.301 -13.700 1.00 0.00 C ATOM 0 H TRP A 8 -10.932 10.569 -9.943 1.00 0.00 H new ATOM 0 HA TRP A 8 -12.970 8.543 -10.122 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -11.100 9.900 -11.846 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.088 8.172 -12.137 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -13.426 7.090 -13.070 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -15.499 8.091 -14.262 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -12.533 11.939 -11.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -16.582 10.693 -14.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -14.148 13.645 -12.704 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -16.115 13.087 -14.024 1.00 0.00 H new ATOM 90 N GLN A 9 -11.779 6.365 -9.805 1.00 0.00 N ATOM 91 CA GLN A 9 -11.169 5.127 -9.351 1.00 0.00 C ATOM 92 C GLN A 9 -11.741 3.938 -10.125 1.00 0.00 C ATOM 93 O GLN A 9 -12.914 3.941 -10.498 1.00 0.00 O ATOM 94 CB GLN A 9 -11.360 4.942 -7.844 1.00 0.00 C ATOM 95 CG GLN A 9 -10.498 3.794 -7.318 1.00 0.00 C ATOM 96 CD GLN A 9 -11.017 3.290 -5.970 1.00 0.00 C ATOM 97 OE1 GLN A 9 -10.381 3.430 -4.939 1.00 0.00 O ATOM 98 NE2 GLN A 9 -12.206 2.697 -6.036 1.00 0.00 N ATOM 0 H GLN A 9 -12.719 6.262 -10.188 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.098 5.181 -9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.099 5.864 -7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.410 4.741 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.496 2.977 -8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.466 4.129 -7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.685 2.613 -6.933 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.639 2.326 -5.190 1.00 0.00 H new ATOM 107 N GLY A 10 -10.887 2.949 -10.345 1.00 0.00 N ATOM 108 CA GLY A 10 -11.293 1.756 -11.069 1.00 0.00 C ATOM 109 C GLY A 10 -11.329 2.015 -12.576 1.00 0.00 C ATOM 110 O GLY A 10 -12.354 1.804 -13.222 1.00 0.00 O ATOM 0 H GLY A 10 -9.915 2.949 -10.035 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.601 0.942 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.278 1.437 -10.728 1.00 0.00 H new ATOM 114 N LEU A 11 -10.196 2.469 -13.094 1.00 0.00 N ATOM 115 CA LEU A 11 -10.085 2.759 -14.513 1.00 0.00 C ATOM 116 C LEU A 11 -8.749 2.227 -15.035 1.00 0.00 C ATOM 117 O LEU A 11 -7.892 3.000 -15.460 1.00 0.00 O ATOM 118 CB LEU A 11 -10.297 4.251 -14.773 1.00 0.00 C ATOM 119 CG LEU A 11 -9.800 5.200 -13.680 1.00 0.00 C ATOM 120 CD1 LEU A 11 -9.483 6.582 -14.256 1.00 0.00 C ATOM 121 CD2 LEU A 11 -10.799 5.275 -12.524 1.00 0.00 C ATOM 0 H LEU A 11 -9.347 2.643 -12.556 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.871 2.248 -15.069 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.798 4.511 -15.707 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.363 4.426 -14.921 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.870 4.799 -13.276 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.132 7.237 -13.458 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.708 6.490 -15.017 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.383 7.005 -14.703 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.422 5.956 -11.761 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.757 5.640 -12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.931 4.283 -12.092 1.00 0.00 H new ATOM 133 N SER A 12 -8.613 0.910 -14.985 1.00 0.00 N ATOM 134 CA SER A 12 -7.395 0.266 -15.448 1.00 0.00 C ATOM 135 C SER A 12 -7.519 -1.252 -15.303 1.00 0.00 C ATOM 136 O SER A 12 -8.303 -1.740 -14.490 1.00 0.00 O ATOM 137 CB SER A 12 -6.176 0.775 -14.677 1.00 0.00 C ATOM 138 OG SER A 12 -5.009 0.822 -15.494 1.00 0.00 O ATOM 0 H SER A 12 -9.325 0.272 -14.631 1.00 0.00 H new ATOM 0 HA SER A 12 -7.255 0.514 -16.500 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.385 1.771 -14.285 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.993 0.127 -13.820 1.00 0.00 H new ATOM 0 HG SER A 12 -4.253 1.154 -14.966 1.00 0.00 H new ATOM 144 N SER A 13 -6.732 -1.957 -16.102 1.00 0.00 N ATOM 145 CA SER A 13 -6.744 -3.410 -16.073 1.00 0.00 C ATOM 146 C SER A 13 -5.975 -3.915 -14.851 1.00 0.00 C ATOM 147 O SER A 13 -4.814 -3.560 -14.653 1.00 0.00 O ATOM 148 CB SER A 13 -6.144 -3.992 -17.355 1.00 0.00 C ATOM 149 OG SER A 13 -7.120 -4.140 -18.382 1.00 0.00 O ATOM 0 H SER A 13 -6.082 -1.549 -16.774 1.00 0.00 H new ATOM 0 HA SER A 13 -7.780 -3.742 -16.006 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.343 -3.343 -17.707 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.696 -4.962 -17.138 1.00 0.00 H new ATOM 0 HG SER A 13 -6.697 -4.512 -19.184 1.00 0.00 H new ATOM 155 N LYS A 14 -6.653 -4.735 -14.062 1.00 0.00 N ATOM 156 CA LYS A 14 -6.048 -5.293 -12.864 1.00 0.00 C ATOM 157 C LYS A 14 -5.779 -6.783 -13.080 1.00 0.00 C ATOM 158 O LYS A 14 -6.001 -7.306 -14.171 1.00 0.00 O ATOM 159 CB LYS A 14 -6.914 -4.995 -11.638 1.00 0.00 C ATOM 160 CG LYS A 14 -8.285 -5.665 -11.760 1.00 0.00 C ATOM 161 CD LYS A 14 -8.460 -6.751 -10.696 1.00 0.00 C ATOM 162 CE LYS A 14 -9.910 -7.238 -10.643 1.00 0.00 C ATOM 163 NZ LYS A 14 -10.239 -7.737 -9.289 1.00 0.00 N ATOM 0 H LYS A 14 -7.616 -5.027 -14.229 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.085 -4.821 -12.668 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.411 -5.349 -10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.040 -3.918 -11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.070 -4.917 -11.654 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.393 -6.102 -12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.799 -7.589 -10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.168 -6.361 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.583 -6.424 -10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.061 -8.031 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.226 -8.064 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.608 -8.528 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.114 -6.971 -8.597 1.00 0.00 H new ATOM 177 N GLY A 15 -5.305 -7.426 -12.023 1.00 0.00 N ATOM 178 CA GLY A 15 -5.004 -8.846 -12.083 1.00 0.00 C ATOM 179 C GLY A 15 -4.495 -9.356 -10.733 1.00 0.00 C ATOM 180 O GLY A 15 -5.254 -9.436 -9.769 1.00 0.00 O ATOM 0 H GLY A 15 -5.122 -6.989 -11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.898 -9.399 -12.371 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.254 -9.030 -12.852 1.00 0.00 H new ATOM 184 N ASP A 16 -3.212 -9.687 -10.708 1.00 0.00 N ATOM 185 CA ASP A 16 -2.592 -10.187 -9.492 1.00 0.00 C ATOM 186 C ASP A 16 -1.409 -9.290 -9.122 1.00 0.00 C ATOM 187 O ASP A 16 -0.256 -9.705 -9.224 1.00 0.00 O ATOM 188 CB ASP A 16 -2.064 -11.610 -9.688 1.00 0.00 C ATOM 189 CG ASP A 16 -3.041 -12.576 -10.361 1.00 0.00 C ATOM 190 OD1 ASP A 16 -4.255 -12.278 -10.316 1.00 0.00 O ATOM 191 OD2 ASP A 16 -2.553 -13.590 -10.905 1.00 0.00 O ATOM 0 H ASP A 16 -2.585 -9.619 -11.510 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.346 -10.187 -8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.153 -11.564 -10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.788 -12.016 -8.715 1.00 0.00 H new ATOM 196 N LEU A 17 -1.736 -8.078 -8.699 1.00 0.00 N ATOM 197 CA LEU A 17 -0.715 -7.119 -8.313 1.00 0.00 C ATOM 198 C LEU A 17 -0.071 -7.567 -7.000 1.00 0.00 C ATOM 199 O LEU A 17 -0.638 -8.381 -6.273 1.00 0.00 O ATOM 200 CB LEU A 17 -1.300 -5.706 -8.261 1.00 0.00 C ATOM 201 CG LEU A 17 -1.392 -4.969 -9.599 1.00 0.00 C ATOM 202 CD1 LEU A 17 -2.025 -3.587 -9.420 1.00 0.00 C ATOM 203 CD2 LEU A 17 -0.023 -4.888 -10.276 1.00 0.00 C ATOM 0 H LEU A 17 -2.694 -7.738 -8.615 1.00 0.00 H new ATOM 0 HA LEU A 17 0.077 -7.084 -9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.300 -5.764 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.694 -5.108 -7.580 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.044 -5.540 -10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.079 -3.084 -10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.030 -3.697 -9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.418 -2.995 -8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.117 -4.360 -11.225 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.672 -4.352 -9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.353 -5.895 -10.457 1.00 0.00 H new ATOM 215 N PRO A 18 1.135 -7.002 -6.729 1.00 0.00 N ATOM 216 CA PRO A 18 1.862 -7.334 -5.516 1.00 0.00 C ATOM 217 C PRO A 18 1.232 -6.658 -4.296 1.00 0.00 C ATOM 218 O PRO A 18 0.427 -5.740 -4.438 1.00 0.00 O ATOM 219 CB PRO A 18 3.289 -6.881 -5.775 1.00 0.00 C ATOM 220 CG PRO A 18 3.210 -5.896 -6.930 1.00 0.00 C ATOM 221 CD PRO A 18 1.837 -6.034 -7.567 1.00 0.00 C ATOM 0 HA PRO A 18 1.832 -8.399 -5.287 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.716 -6.411 -4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.928 -7.727 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.365 -4.877 -6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.992 -6.101 -7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.314 -5.078 -7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.912 -6.383 -8.597 1.00 0.00 H new ATOM 229 N GLN A 19 1.624 -7.139 -3.125 1.00 0.00 N ATOM 230 CA GLN A 19 1.108 -6.592 -1.882 1.00 0.00 C ATOM 231 C GLN A 19 2.189 -6.622 -0.800 1.00 0.00 C ATOM 232 O GLN A 19 2.986 -7.557 -0.739 1.00 0.00 O ATOM 233 CB GLN A 19 -0.143 -7.348 -1.428 1.00 0.00 C ATOM 234 CG GLN A 19 -1.325 -7.059 -2.355 1.00 0.00 C ATOM 235 CD GLN A 19 -2.624 -6.919 -1.560 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.533 -7.727 -1.658 1.00 0.00 O ATOM 237 NE2 GLN A 19 -2.661 -5.851 -0.768 1.00 0.00 N ATOM 0 H GLN A 19 2.292 -7.901 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 19 0.823 -5.554 -2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.060 -8.419 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.397 -7.059 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.137 -6.143 -2.915 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.425 -7.863 -3.084 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.865 -5.214 -0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.485 -5.669 -0.195 1.00 0.00 H new ATOM 246 N VAL A 20 2.182 -5.587 0.027 1.00 0.00 N ATOM 247 CA VAL A 20 3.152 -5.482 1.104 1.00 0.00 C ATOM 248 C VAL A 20 2.438 -5.062 2.390 1.00 0.00 C ATOM 249 O VAL A 20 1.462 -4.314 2.346 1.00 0.00 O ATOM 250 CB VAL A 20 4.277 -4.525 0.704 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.718 -4.770 -0.740 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.855 -3.068 0.908 1.00 0.00 C ATOM 0 H VAL A 20 1.520 -4.813 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 20 3.618 -6.449 1.293 1.00 0.00 H new ATOM 0 HB VAL A 20 5.131 -4.722 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.518 -4.077 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.078 -5.794 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.872 -4.614 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.672 -2.408 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.979 -2.854 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.612 -2.903 1.958 1.00 0.00 H new ATOM 262 N GLU A 21 2.952 -5.560 3.505 1.00 0.00 N ATOM 263 CA GLU A 21 2.375 -5.245 4.801 1.00 0.00 C ATOM 264 C GLU A 21 3.301 -4.310 5.580 1.00 0.00 C ATOM 265 O GLU A 21 4.416 -4.688 5.936 1.00 0.00 O ATOM 266 CB GLU A 21 2.087 -6.520 5.597 1.00 0.00 C ATOM 267 CG GLU A 21 1.517 -6.187 6.977 1.00 0.00 C ATOM 268 CD GLU A 21 1.155 -7.462 7.742 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.021 -8.361 7.790 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.019 -7.507 8.263 1.00 0.00 O ATOM 0 H GLU A 21 3.762 -6.179 3.538 1.00 0.00 H new ATOM 0 HA GLU A 21 1.426 -4.734 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.381 -7.144 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.004 -7.099 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.247 -5.611 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.632 -5.560 6.867 1.00 0.00 H new ATOM 277 N ILE A 22 2.804 -3.106 5.824 1.00 0.00 N ATOM 278 CA ILE A 22 3.573 -2.113 6.555 1.00 0.00 C ATOM 279 C ILE A 22 3.997 -2.695 7.905 1.00 0.00 C ATOM 280 O ILE A 22 3.186 -3.298 8.607 1.00 0.00 O ATOM 281 CB ILE A 22 2.788 -0.804 6.669 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.277 -0.351 5.299 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.622 0.278 7.356 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.320 -0.612 4.211 1.00 0.00 C ATOM 0 H ILE A 22 1.878 -2.796 5.528 1.00 0.00 H new ATOM 0 HA ILE A 22 4.486 -1.864 6.014 1.00 0.00 H new ATOM 0 HB ILE A 22 1.915 -0.983 7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.355 -0.880 5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.037 0.712 5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.040 1.197 7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.894 -0.054 8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.527 0.463 6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.932 -0.281 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.233 -0.063 4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.540 -1.679 4.166 1.00 0.00 H new ATOM 296 N THR A 23 5.266 -2.493 8.228 1.00 0.00 N ATOM 297 CA THR A 23 5.807 -2.991 9.482 1.00 0.00 C ATOM 298 C THR A 23 5.727 -1.911 10.563 1.00 0.00 C ATOM 299 O THR A 23 5.410 -2.203 11.715 1.00 0.00 O ATOM 300 CB THR A 23 7.231 -3.484 9.219 1.00 0.00 C ATOM 301 OG1 THR A 23 7.928 -2.319 8.789 1.00 0.00 O ATOM 302 CG2 THR A 23 7.311 -4.430 8.019 1.00 0.00 C ATOM 0 H THR A 23 5.935 -1.992 7.644 1.00 0.00 H new ATOM 0 HA THR A 23 5.222 -3.829 9.861 1.00 0.00 H new ATOM 0 HB THR A 23 7.609 -3.991 10.107 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.862 -2.548 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.343 -4.750 7.876 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.682 -5.302 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.965 -3.913 7.124 1.00 0.00 H new ATOM 310 N LYS A 24 6.021 -0.686 10.153 1.00 0.00 N ATOM 311 CA LYS A 24 5.987 0.439 11.072 1.00 0.00 C ATOM 312 C LYS A 24 5.252 1.608 10.413 1.00 0.00 C ATOM 313 O LYS A 24 5.271 1.749 9.191 1.00 0.00 O ATOM 314 CB LYS A 24 7.400 0.789 11.544 1.00 0.00 C ATOM 315 CG LYS A 24 8.262 1.278 10.378 1.00 0.00 C ATOM 316 CD LYS A 24 9.669 0.683 10.449 1.00 0.00 C ATOM 317 CE LYS A 24 10.565 1.260 9.351 1.00 0.00 C ATOM 318 NZ LYS A 24 11.537 2.218 9.925 1.00 0.00 N ATOM 0 H LYS A 24 6.284 -0.448 9.197 1.00 0.00 H new ATOM 0 HA LYS A 24 5.431 0.178 11.972 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.350 1.560 12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.862 -0.086 12.001 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.793 1.001 9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.322 2.366 10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.106 0.890 11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.615 -0.401 10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.096 0.453 8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.954 1.760 8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.137 2.600 9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.025 2.997 10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.132 1.731 10.625 1.00 0.00 H new ATOM 332 N ALA A 25 4.621 2.417 11.252 1.00 0.00 N ATOM 333 CA ALA A 25 3.881 3.569 10.766 1.00 0.00 C ATOM 334 C ALA A 25 4.790 4.413 9.869 1.00 0.00 C ATOM 335 O ALA A 25 5.932 4.696 10.228 1.00 0.00 O ATOM 336 CB ALA A 25 3.335 4.364 11.954 1.00 0.00 C ATOM 0 H ALA A 25 4.607 2.297 12.265 1.00 0.00 H new ATOM 0 HA ALA A 25 3.028 3.251 10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.780 5.228 11.589 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.673 3.729 12.543 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.163 4.701 12.577 1.00 0.00 H new ATOM 342 N PHE A 26 4.249 4.790 8.720 1.00 0.00 N ATOM 343 CA PHE A 26 4.996 5.595 7.769 1.00 0.00 C ATOM 344 C PHE A 26 4.341 6.963 7.575 1.00 0.00 C ATOM 345 O PHE A 26 3.597 7.169 6.616 1.00 0.00 O ATOM 346 CB PHE A 26 4.983 4.842 6.438 1.00 0.00 C ATOM 347 CG PHE A 26 5.242 5.729 5.218 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.374 6.480 5.152 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.340 5.767 4.201 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.614 7.304 4.020 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.580 6.591 3.069 1.00 0.00 C ATOM 352 CZ PHE A 26 5.712 7.342 3.003 1.00 0.00 C ATOM 0 H PHE A 26 3.302 4.553 8.426 1.00 0.00 H new ATOM 0 HA PHE A 26 6.010 5.757 8.134 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.738 4.056 6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.017 4.352 6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.090 6.450 5.960 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.441 5.171 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.513 7.900 3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.864 6.621 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.895 7.969 2.143 1.00 0.00 H new ATOM 362 N PHE A 27 4.640 7.864 8.499 1.00 0.00 N ATOM 363 CA PHE A 27 4.089 9.207 8.441 1.00 0.00 C ATOM 364 C PHE A 27 4.519 9.922 7.158 1.00 0.00 C ATOM 365 O PHE A 27 5.700 10.209 6.969 1.00 0.00 O ATOM 366 CB PHE A 27 4.643 9.971 9.646 1.00 0.00 C ATOM 367 CG PHE A 27 4.094 9.493 10.991 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.837 9.843 11.376 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.862 8.719 11.803 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.327 9.400 12.624 1.00 0.00 C ATOM 371 CE2 PHE A 27 4.352 8.276 13.052 1.00 0.00 C ATOM 372 CZ PHE A 27 3.095 8.626 13.437 1.00 0.00 C ATOM 0 H PHE A 27 5.257 7.690 9.292 1.00 0.00 H new ATOM 0 HA PHE A 27 3.000 9.162 8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.729 9.878 9.655 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.415 11.030 9.528 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.227 10.458 10.731 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.860 8.441 11.498 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.329 9.678 12.928 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.962 7.661 13.697 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.707 8.290 14.387 1.00 0.00 H new ATOM 382 N ALA A 28 3.537 10.187 6.309 1.00 0.00 N ATOM 383 CA ALA A 28 3.798 10.862 5.049 1.00 0.00 C ATOM 384 C ALA A 28 4.206 12.311 5.327 1.00 0.00 C ATOM 385 O ALA A 28 3.625 12.968 6.189 1.00 0.00 O ATOM 386 CB ALA A 28 2.563 10.766 4.152 1.00 0.00 C ATOM 0 H ALA A 28 2.559 9.946 6.469 1.00 0.00 H new ATOM 0 HA ALA A 28 4.622 10.383 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.759 11.273 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.333 9.718 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.715 11.239 4.648 1.00 0.00 H new ATOM 392 N LYS A 29 5.201 12.765 4.580 1.00 0.00 N ATOM 393 CA LYS A 29 5.693 14.124 4.735 1.00 0.00 C ATOM 394 C LYS A 29 5.317 14.942 3.498 1.00 0.00 C ATOM 395 O LYS A 29 5.112 16.151 3.588 1.00 0.00 O ATOM 396 CB LYS A 29 7.193 14.120 5.037 1.00 0.00 C ATOM 397 CG LYS A 29 8.001 13.747 3.792 1.00 0.00 C ATOM 398 CD LYS A 29 8.585 12.338 3.920 1.00 0.00 C ATOM 399 CE LYS A 29 10.107 12.387 4.075 1.00 0.00 C ATOM 400 NZ LYS A 29 10.769 12.117 2.779 1.00 0.00 N ATOM 0 H LYS A 29 5.680 12.217 3.866 1.00 0.00 H new ATOM 0 HA LYS A 29 5.220 14.605 5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.499 15.104 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.405 13.412 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.363 13.801 2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.807 14.467 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.144 11.835 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.324 11.751 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.409 13.366 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.427 11.652 4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.801 12.154 2.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.494 11.173 2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.477 12.834 2.084 1.00 0.00 H new ATOM 414 N GLN A 30 5.237 14.249 2.371 1.00 0.00 N ATOM 415 CA GLN A 30 4.890 14.896 1.118 1.00 0.00 C ATOM 416 C GLN A 30 3.406 14.689 0.807 1.00 0.00 C ATOM 417 O GLN A 30 2.674 14.113 1.611 1.00 0.00 O ATOM 418 CB GLN A 30 5.766 14.382 -0.026 1.00 0.00 C ATOM 419 CG GLN A 30 7.169 14.987 0.043 1.00 0.00 C ATOM 420 CD GLN A 30 7.721 15.254 -1.359 1.00 0.00 C ATOM 421 OE1 GLN A 30 7.324 16.183 -2.044 1.00 0.00 O ATOM 422 NE2 GLN A 30 8.656 14.391 -1.746 1.00 0.00 N ATOM 0 H GLN A 30 5.407 13.246 2.300 1.00 0.00 H new ATOM 0 HA GLN A 30 5.075 15.965 1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.832 13.295 0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.305 14.631 -0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.140 15.918 0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.835 14.309 0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.942 13.636 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.087 14.484 -2.666 1.00 0.00 H new ATOM 431 N ALA A 31 3.005 15.170 -0.360 1.00 0.00 N ATOM 432 CA ALA A 31 1.622 15.045 -0.787 1.00 0.00 C ATOM 433 C ALA A 31 1.476 13.807 -1.673 1.00 0.00 C ATOM 434 O ALA A 31 0.365 13.432 -2.043 1.00 0.00 O ATOM 435 CB ALA A 31 1.190 16.328 -1.501 1.00 0.00 C ATOM 0 H ALA A 31 3.614 15.648 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 31 0.965 14.914 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.152 16.234 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.284 17.173 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.825 16.491 -2.372 1.00 0.00 H new ATOM 441 N ASP A 32 2.614 13.207 -1.989 1.00 0.00 N ATOM 442 CA ASP A 32 2.627 12.019 -2.825 1.00 0.00 C ATOM 443 C ASP A 32 2.628 10.774 -1.935 1.00 0.00 C ATOM 444 O ASP A 32 2.171 9.710 -2.350 1.00 0.00 O ATOM 445 CB ASP A 32 3.881 11.975 -3.701 1.00 0.00 C ATOM 446 CG ASP A 32 5.140 12.557 -3.056 1.00 0.00 C ATOM 447 OD1 ASP A 32 5.608 11.947 -2.070 1.00 0.00 O ATOM 448 OD2 ASP A 32 5.607 13.600 -3.564 1.00 0.00 O ATOM 0 H ASP A 32 3.534 13.522 -1.681 1.00 0.00 H new ATOM 0 HA ASP A 32 1.743 12.046 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.078 10.939 -3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.680 12.518 -4.625 1.00 0.00 H new ATOM 453 N GLU A 33 3.146 10.949 -0.729 1.00 0.00 N ATOM 454 CA GLU A 33 3.212 9.853 0.223 1.00 0.00 C ATOM 455 C GLU A 33 1.849 9.640 0.884 1.00 0.00 C ATOM 456 O GLU A 33 0.896 10.364 0.597 1.00 0.00 O ATOM 457 CB GLU A 33 4.297 10.103 1.273 1.00 0.00 C ATOM 458 CG GLU A 33 5.671 10.252 0.616 1.00 0.00 C ATOM 459 CD GLU A 33 6.480 11.365 1.285 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.136 11.702 2.438 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.425 11.853 0.628 1.00 0.00 O ATOM 0 H GLU A 33 3.524 11.833 -0.389 1.00 0.00 H new ATOM 0 HA GLU A 33 3.478 8.944 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.060 11.004 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.317 9.277 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.215 9.310 0.685 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.549 10.473 -0.444 1.00 0.00 H new ATOM 468 N VAL A 34 1.798 8.644 1.756 1.00 0.00 N ATOM 469 CA VAL A 34 0.567 8.328 2.460 1.00 0.00 C ATOM 470 C VAL A 34 0.905 7.722 3.823 1.00 0.00 C ATOM 471 O VAL A 34 1.772 6.855 3.923 1.00 0.00 O ATOM 472 CB VAL A 34 -0.307 7.413 1.599 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.486 6.200 1.108 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.560 6.977 2.361 1.00 0.00 C ATOM 0 H VAL A 34 2.590 8.045 1.991 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.013 9.233 2.642 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.627 7.980 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.158 5.566 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.333 6.537 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.849 5.632 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.164 6.328 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.269 6.436 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.142 7.856 2.638 1.00 0.00 H new ATOM 484 N THR A 35 0.203 8.202 4.839 1.00 0.00 N ATOM 485 CA THR A 35 0.418 7.718 6.192 1.00 0.00 C ATOM 486 C THR A 35 -0.069 6.274 6.326 1.00 0.00 C ATOM 487 O THR A 35 -1.164 5.941 5.878 1.00 0.00 O ATOM 488 CB THR A 35 -0.274 8.685 7.155 1.00 0.00 C ATOM 489 OG1 THR A 35 0.391 9.926 6.939 1.00 0.00 O ATOM 490 CG2 THR A 35 0.015 8.358 8.622 1.00 0.00 C ATOM 0 H THR A 35 -0.515 8.921 4.752 1.00 0.00 H new ATOM 0 HA THR A 35 1.479 7.694 6.440 1.00 0.00 H new ATOM 0 HB THR A 35 -1.350 8.660 6.983 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.003 10.611 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.500 9.074 9.263 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.338 7.351 8.847 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.088 8.415 8.803 1.00 0.00 H new ATOM 498 N LEU A 36 0.769 5.456 6.946 1.00 0.00 N ATOM 499 CA LEU A 36 0.438 4.055 7.145 1.00 0.00 C ATOM 500 C LEU A 36 0.691 3.678 8.606 1.00 0.00 C ATOM 501 O LEU A 36 1.326 4.431 9.344 1.00 0.00 O ATOM 502 CB LEU A 36 1.193 3.179 6.143 1.00 0.00 C ATOM 503 CG LEU A 36 1.288 3.721 4.716 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.407 3.025 3.938 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.060 3.614 3.998 1.00 0.00 C ATOM 0 H LEU A 36 1.677 5.737 7.317 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.620 3.882 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.204 3.021 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.710 2.203 6.108 1.00 0.00 H new ATOM 0 HG LEU A 36 1.542 4.780 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.453 3.429 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.359 3.195 4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.207 1.954 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.035 4.006 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.367 2.569 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.809 4.190 4.542 1.00 0.00 H new ATOM 517 N GLN A 37 0.183 2.513 8.979 1.00 0.00 N ATOM 518 CA GLN A 37 0.346 2.027 10.339 1.00 0.00 C ATOM 519 C GLN A 37 1.063 0.676 10.337 1.00 0.00 C ATOM 520 O GLN A 37 1.324 0.109 9.277 1.00 0.00 O ATOM 521 CB GLN A 37 -1.004 1.931 11.053 1.00 0.00 C ATOM 522 CG GLN A 37 -1.509 3.316 11.461 1.00 0.00 C ATOM 523 CD GLN A 37 -0.689 3.878 12.624 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.583 3.286 13.686 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.116 5.050 12.366 1.00 0.00 N ATOM 0 H GLN A 37 -0.342 1.891 8.364 1.00 0.00 H new ATOM 0 HA GLN A 37 0.960 2.741 10.888 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.732 1.453 10.398 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.908 1.300 11.937 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.451 3.994 10.609 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.559 3.254 11.748 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.245 5.491 11.456 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.453 5.507 13.078 1.00 0.00 H new ATOM 534 N GLN A 38 1.362 0.198 11.536 1.00 0.00 N ATOM 535 CA GLN A 38 2.044 -1.076 11.686 1.00 0.00 C ATOM 536 C GLN A 38 1.089 -2.229 11.371 1.00 0.00 C ATOM 537 O GLN A 38 0.022 -2.339 11.975 1.00 0.00 O ATOM 538 CB GLN A 38 2.633 -1.220 13.090 1.00 0.00 C ATOM 539 CG GLN A 38 3.292 -2.590 13.270 1.00 0.00 C ATOM 540 CD GLN A 38 2.518 -3.443 14.277 1.00 0.00 C ATOM 541 OE1 GLN A 38 1.300 -3.421 14.341 1.00 0.00 O ATOM 542 NE2 GLN A 38 3.291 -4.193 15.058 1.00 0.00 N ATOM 0 H GLN A 38 1.144 0.671 12.413 1.00 0.00 H new ATOM 0 HA GLN A 38 2.870 -1.110 10.976 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.368 -0.433 13.263 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.846 -1.090 13.833 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.337 -3.105 12.310 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.319 -2.461 13.611 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.305 -4.164 14.951 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.870 -4.797 15.763 1.00 0.00 H new ATOM 551 N ALA A 39 1.506 -3.060 10.427 1.00 0.00 N ATOM 552 CA ALA A 39 0.701 -4.200 10.025 1.00 0.00 C ATOM 553 C ALA A 39 -0.464 -3.717 9.158 1.00 0.00 C ATOM 554 O ALA A 39 -1.608 -4.114 9.373 1.00 0.00 O ATOM 555 CB ALA A 39 0.228 -4.956 11.268 1.00 0.00 C ATOM 0 H ALA A 39 2.391 -2.966 9.929 1.00 0.00 H new ATOM 0 HA ALA A 39 1.292 -4.894 9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.376 -5.811 10.966 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.093 -5.304 11.833 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.370 -4.292 11.892 1.00 0.00 H new ATOM 561 N ASP A 40 -0.132 -2.868 8.197 1.00 0.00 N ATOM 562 CA ASP A 40 -1.136 -2.326 7.297 1.00 0.00 C ATOM 563 C ASP A 40 -0.896 -2.869 5.886 1.00 0.00 C ATOM 564 O ASP A 40 0.199 -2.731 5.342 1.00 0.00 O ATOM 565 CB ASP A 40 -1.055 -0.800 7.236 1.00 0.00 C ATOM 566 CG ASP A 40 -1.584 -0.075 8.475 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.384 -0.622 9.581 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.176 1.010 8.289 1.00 0.00 O ATOM 0 H ASP A 40 0.818 -2.542 8.022 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.117 -2.620 7.670 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.015 -0.512 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.614 -0.456 6.366 1.00 0.00 H new ATOM 573 N VAL A 41 -1.937 -3.474 5.335 1.00 0.00 N ATOM 574 CA VAL A 41 -1.853 -4.038 3.998 1.00 0.00 C ATOM 575 C VAL A 41 -2.097 -2.934 2.967 1.00 0.00 C ATOM 576 O VAL A 41 -3.008 -2.123 3.125 1.00 0.00 O ATOM 577 CB VAL A 41 -2.829 -5.209 3.862 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.711 -5.863 2.484 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.613 -6.235 4.977 1.00 0.00 C ATOM 0 H VAL A 41 -2.843 -3.586 5.789 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.856 -4.439 3.815 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.841 -4.816 3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.415 -6.692 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.937 -5.128 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.696 -6.236 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.319 -7.057 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.595 -6.621 4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.771 -5.759 5.945 1.00 0.00 H new ATOM 589 N VAL A 42 -1.266 -2.938 1.935 1.00 0.00 N ATOM 590 CA VAL A 42 -1.380 -1.947 0.879 1.00 0.00 C ATOM 591 C VAL A 42 -1.242 -2.638 -0.479 1.00 0.00 C ATOM 592 O VAL A 42 -0.328 -3.434 -0.685 1.00 0.00 O ATOM 593 CB VAL A 42 -0.351 -0.835 1.092 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.269 0.077 -0.134 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.666 -0.031 2.354 1.00 0.00 C ATOM 0 H VAL A 42 -0.511 -3.612 1.808 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.361 -1.472 0.904 1.00 0.00 H new ATOM 0 HB VAL A 42 0.624 -1.302 1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.469 0.859 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.025 -0.509 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.243 0.532 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.081 0.753 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.654 0.420 2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.650 -0.692 3.220 1.00 0.00 H new ATOM 605 N LEU A 43 -2.164 -2.307 -1.371 1.00 0.00 N ATOM 606 CA LEU A 43 -2.157 -2.886 -2.704 1.00 0.00 C ATOM 607 C LEU A 43 -1.256 -2.049 -3.614 1.00 0.00 C ATOM 608 O LEU A 43 -1.597 -0.919 -3.963 1.00 0.00 O ATOM 609 CB LEU A 43 -3.586 -3.041 -3.229 1.00 0.00 C ATOM 610 CG LEU A 43 -3.742 -3.836 -4.527 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.877 -5.333 -4.240 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.910 -3.304 -5.359 1.00 0.00 C ATOM 0 H LEU A 43 -2.921 -1.646 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.740 -3.893 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.185 -3.523 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.005 -2.047 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.837 -3.702 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.987 -5.875 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.987 -5.685 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.754 -5.506 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.999 -3.887 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.833 -3.387 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.732 -2.258 -5.609 1.00 0.00 H new ATOM 624 N VAL A 44 -0.123 -2.635 -3.973 1.00 0.00 N ATOM 625 CA VAL A 44 0.830 -1.957 -4.835 1.00 0.00 C ATOM 626 C VAL A 44 0.177 -1.682 -6.192 1.00 0.00 C ATOM 627 O VAL A 44 -0.542 -2.528 -6.721 1.00 0.00 O ATOM 628 CB VAL A 44 2.114 -2.781 -4.945 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.097 -2.136 -5.925 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.758 -2.978 -3.572 1.00 0.00 C ATOM 0 H VAL A 44 0.156 -3.572 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 44 1.113 -0.994 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 44 1.849 -3.764 -5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.001 -2.742 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.638 -2.071 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.353 -1.135 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.669 -3.567 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.002 -2.007 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.063 -3.501 -2.916 1.00 0.00 H new ATOM 640 N LEU A 45 0.453 -0.497 -6.716 1.00 0.00 N ATOM 641 CA LEU A 45 -0.098 -0.101 -8.001 1.00 0.00 C ATOM 642 C LEU A 45 1.045 0.132 -8.991 1.00 0.00 C ATOM 643 O LEU A 45 0.945 -0.242 -10.158 1.00 0.00 O ATOM 644 CB LEU A 45 -1.025 1.105 -7.837 1.00 0.00 C ATOM 645 CG LEU A 45 -2.368 0.832 -7.157 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.912 2.096 -6.489 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.370 0.229 -8.145 1.00 0.00 C ATOM 0 H LEU A 45 1.051 0.202 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.718 -0.898 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.498 1.867 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.219 1.526 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.208 0.095 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.867 1.874 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.204 2.443 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.053 2.873 -7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.316 0.044 -7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.531 0.923 -8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.977 -0.711 -8.533 1.00 0.00 H new ATOM 659 N GLN A 46 2.105 0.748 -8.488 1.00 0.00 N ATOM 660 CA GLN A 46 3.265 1.035 -9.314 1.00 0.00 C ATOM 661 C GLN A 46 4.551 0.844 -8.507 1.00 0.00 C ATOM 662 O GLN A 46 4.705 1.421 -7.431 1.00 0.00 O ATOM 663 CB GLN A 46 3.188 2.448 -9.896 1.00 0.00 C ATOM 664 CG GLN A 46 2.675 2.420 -11.337 1.00 0.00 C ATOM 665 CD GLN A 46 1.567 3.455 -11.545 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.811 4.640 -11.703 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.340 2.943 -11.536 1.00 0.00 N ATOM 0 H GLN A 46 2.185 1.056 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 46 3.275 0.334 -10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.528 3.062 -9.283 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.174 2.912 -9.866 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.498 2.620 -12.024 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.297 1.425 -11.573 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.206 1.941 -11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.468 3.552 -11.667 1.00 0.00 H new ATOM 676 N GLN A 47 5.442 0.033 -9.057 1.00 0.00 N ATOM 677 CA GLN A 47 6.710 -0.242 -8.402 1.00 0.00 C ATOM 678 C GLN A 47 7.831 0.569 -9.055 1.00 0.00 C ATOM 679 O GLN A 47 8.182 0.332 -10.210 1.00 0.00 O ATOM 680 CB GLN A 47 7.028 -1.738 -8.428 1.00 0.00 C ATOM 681 CG GLN A 47 6.588 -2.415 -7.128 1.00 0.00 C ATOM 682 CD GLN A 47 7.263 -3.778 -6.964 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.630 -4.820 -6.992 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.580 -3.712 -6.793 1.00 0.00 N ATOM 0 H GLN A 47 5.311 -0.443 -9.950 1.00 0.00 H new ATOM 0 HA GLN A 47 6.630 0.060 -7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.525 -2.206 -9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.098 -1.883 -8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.837 -1.778 -6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.505 -2.539 -7.127 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.048 -2.806 -6.780 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.122 -4.568 -6.675 1.00 0.00 H new ATOM 693 N GLU A 48 8.363 1.509 -8.288 1.00 0.00 N ATOM 694 CA GLU A 48 9.437 2.356 -8.777 1.00 0.00 C ATOM 695 C GLU A 48 10.677 2.204 -7.894 1.00 0.00 C ATOM 696 O GLU A 48 10.662 2.586 -6.725 1.00 0.00 O ATOM 697 CB GLU A 48 8.993 3.818 -8.851 1.00 0.00 C ATOM 698 CG GLU A 48 9.637 4.527 -10.044 1.00 0.00 C ATOM 699 CD GLU A 48 9.762 6.030 -9.785 1.00 0.00 C ATOM 700 OE1 GLU A 48 8.762 6.609 -9.310 1.00 0.00 O ATOM 701 OE2 GLU A 48 10.855 6.566 -10.069 1.00 0.00 O ATOM 0 H GLU A 48 8.070 1.703 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 48 9.693 2.037 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.907 3.868 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.264 4.331 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.623 4.104 -10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.039 4.357 -10.939 1.00 0.00 H new ATOM 708 N ASP A 49 11.722 1.645 -8.487 1.00 0.00 N ATOM 709 CA ASP A 49 12.968 1.438 -7.769 1.00 0.00 C ATOM 710 C ASP A 49 13.232 2.638 -6.857 1.00 0.00 C ATOM 711 O ASP A 49 13.658 3.694 -7.322 1.00 0.00 O ATOM 712 CB ASP A 49 14.147 1.312 -8.736 1.00 0.00 C ATOM 713 CG ASP A 49 15.162 0.224 -8.380 1.00 0.00 C ATOM 714 OD1 ASP A 49 15.697 0.294 -7.252 1.00 0.00 O ATOM 715 OD2 ASP A 49 15.380 -0.654 -9.243 1.00 0.00 O ATOM 0 H ASP A 49 11.731 1.329 -9.457 1.00 0.00 H new ATOM 0 HA ASP A 49 12.875 0.518 -7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.759 1.113 -9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.665 2.270 -8.781 1.00 0.00 H new ATOM 720 N GLY A 50 12.966 2.436 -5.575 1.00 0.00 N ATOM 721 CA GLY A 50 13.169 3.488 -4.594 1.00 0.00 C ATOM 722 C GLY A 50 11.901 3.722 -3.770 1.00 0.00 C ATOM 723 O GLY A 50 11.972 3.922 -2.558 1.00 0.00 O ATOM 0 H GLY A 50 12.612 1.559 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.992 3.219 -3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.454 4.411 -5.099 1.00 0.00 H new ATOM 727 N TRP A 51 10.771 3.688 -4.460 1.00 0.00 N ATOM 728 CA TRP A 51 9.489 3.893 -3.808 1.00 0.00 C ATOM 729 C TRP A 51 8.473 2.949 -4.453 1.00 0.00 C ATOM 730 O TRP A 51 8.537 2.690 -5.654 1.00 0.00 O ATOM 731 CB TRP A 51 9.068 5.363 -3.877 1.00 0.00 C ATOM 732 CG TRP A 51 9.847 6.279 -2.931 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.090 6.756 -3.082 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.381 6.812 -1.673 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.458 7.554 -2.018 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.385 7.589 -1.134 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.151 6.642 -1.013 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.264 8.259 0.089 1.00 0.00 C ATOM 739 CZ3 TRP A 51 8.045 7.318 0.209 1.00 0.00 C ATOM 740 CH2 TRP A 51 9.047 8.105 0.765 1.00 0.00 C ATOM 0 H TRP A 51 10.716 3.521 -5.465 1.00 0.00 H new ATOM 0 HA TRP A 51 9.555 3.659 -2.746 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.197 5.719 -4.899 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.006 5.437 -3.645 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.724 6.543 -3.930 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.352 8.030 -1.901 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.352 6.038 -1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.065 8.862 0.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.120 7.221 0.758 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.888 8.595 1.714 1.00 0.00 H new ATOM 751 N LEU A 52 7.559 2.461 -3.628 1.00 0.00 N ATOM 752 CA LEU A 52 6.530 1.551 -4.103 1.00 0.00 C ATOM 753 C LEU A 52 5.156 2.192 -3.901 1.00 0.00 C ATOM 754 O LEU A 52 4.793 2.551 -2.782 1.00 0.00 O ATOM 755 CB LEU A 52 6.676 0.183 -3.435 1.00 0.00 C ATOM 756 CG LEU A 52 8.108 -0.316 -3.232 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.803 -0.549 -4.575 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.899 0.638 -2.335 1.00 0.00 C ATOM 0 H LEU A 52 7.509 2.679 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 52 6.643 1.371 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.185 0.221 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.138 -0.551 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 52 8.065 -1.278 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.819 -0.903 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.251 -1.295 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.835 0.386 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.913 0.260 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.935 1.625 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.413 0.710 -1.362 1.00 0.00 H new ATOM 770 N TYR A 53 4.428 2.315 -5.001 1.00 0.00 N ATOM 771 CA TYR A 53 3.101 2.905 -4.959 1.00 0.00 C ATOM 772 C TYR A 53 2.026 1.828 -4.801 1.00 0.00 C ATOM 773 O TYR A 53 2.145 0.740 -5.363 1.00 0.00 O ATOM 774 CB TYR A 53 2.909 3.608 -6.304 1.00 0.00 C ATOM 775 CG TYR A 53 1.667 4.499 -6.369 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.526 5.551 -5.486 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.688 4.252 -7.310 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.358 6.391 -5.547 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.480 5.091 -7.370 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.588 6.119 -6.486 1.00 0.00 C ATOM 781 OH TYR A 53 -1.692 6.912 -6.544 1.00 0.00 O ATOM 0 H TYR A 53 4.732 2.016 -5.927 1.00 0.00 H new ATOM 0 HA TYR A 53 3.012 3.588 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.790 4.214 -6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.845 2.855 -7.090 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.292 5.744 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.798 3.429 -8.001 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.236 7.218 -4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.254 4.908 -8.101 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.281 6.601 -7.263 1.00 0.00 H new ATOM 791 N GLY A 54 1.001 2.168 -4.034 1.00 0.00 N ATOM 792 CA GLY A 54 -0.094 1.244 -3.795 1.00 0.00 C ATOM 793 C GLY A 54 -1.285 1.959 -3.154 1.00 0.00 C ATOM 794 O GLY A 54 -1.268 3.177 -2.990 1.00 0.00 O ATOM 0 H GLY A 54 0.906 3.071 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.402 0.789 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.242 0.436 -3.145 1.00 0.00 H new ATOM 798 N GLU A 55 -2.292 1.170 -2.809 1.00 0.00 N ATOM 799 CA GLU A 55 -3.490 1.712 -2.189 1.00 0.00 C ATOM 800 C GLU A 55 -3.766 1.006 -0.861 1.00 0.00 C ATOM 801 O GLU A 55 -3.735 -0.222 -0.788 1.00 0.00 O ATOM 802 CB GLU A 55 -4.692 1.601 -3.129 1.00 0.00 C ATOM 803 CG GLU A 55 -5.984 2.003 -2.416 1.00 0.00 C ATOM 804 CD GLU A 55 -6.985 0.845 -2.402 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.548 0.569 -3.483 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.164 0.263 -1.311 1.00 0.00 O ATOM 0 H GLU A 55 -2.303 0.159 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.324 2.770 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.538 2.240 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.778 0.578 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.760 2.307 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.426 2.865 -2.915 1.00 0.00 H new ATOM 813 N ARG A 56 -4.030 1.811 0.158 1.00 0.00 N ATOM 814 CA ARG A 56 -4.312 1.279 1.480 1.00 0.00 C ATOM 815 C ARG A 56 -5.699 0.633 1.508 1.00 0.00 C ATOM 816 O ARG A 56 -6.709 1.315 1.340 1.00 0.00 O ATOM 817 CB ARG A 56 -4.248 2.379 2.541 1.00 0.00 C ATOM 818 CG ARG A 56 -3.924 1.794 3.918 1.00 0.00 C ATOM 819 CD ARG A 56 -3.381 2.873 4.858 1.00 0.00 C ATOM 820 NE ARG A 56 -4.239 4.077 4.795 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.252 5.040 5.727 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.453 4.945 6.799 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.063 6.097 5.587 1.00 0.00 N ATOM 0 H ARG A 56 -4.054 2.829 0.094 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.554 0.529 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.489 3.112 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.201 2.907 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.821 1.349 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.191 0.994 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.347 2.494 5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.359 3.130 4.579 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.859 4.180 3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.836 4.140 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.462 5.678 7.509 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.671 6.169 4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.073 6.830 6.296 1.00 0.00 H new ATOM 837 N LEU A 57 -5.703 -0.675 1.720 1.00 0.00 N ATOM 838 CA LEU A 57 -6.949 -1.421 1.772 1.00 0.00 C ATOM 839 C LEU A 57 -7.760 -0.966 2.987 1.00 0.00 C ATOM 840 O LEU A 57 -8.936 -1.303 3.113 1.00 0.00 O ATOM 841 CB LEU A 57 -6.674 -2.926 1.744 1.00 0.00 C ATOM 842 CG LEU A 57 -6.140 -3.486 0.424 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.953 -2.963 -0.762 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.646 -3.193 0.269 1.00 0.00 C ATOM 0 H LEU A 57 -4.863 -1.237 1.858 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.554 -1.215 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.957 -3.159 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.598 -3.449 1.990 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.256 -4.570 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.553 -3.376 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.995 -3.265 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.892 -1.875 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.291 -3.602 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.483 -2.115 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.098 -3.653 1.091 1.00 0.00 H new ATOM 856 N ARG A 58 -7.100 -0.207 3.849 1.00 0.00 N ATOM 857 CA ARG A 58 -7.745 0.297 5.049 1.00 0.00 C ATOM 858 C ARG A 58 -8.904 1.224 4.679 1.00 0.00 C ATOM 859 O ARG A 58 -10.063 0.914 4.951 1.00 0.00 O ATOM 860 CB ARG A 58 -6.752 1.059 5.929 1.00 0.00 C ATOM 861 CG ARG A 58 -7.391 1.451 7.263 1.00 0.00 C ATOM 862 CD ARG A 58 -6.323 1.828 8.292 1.00 0.00 C ATOM 863 NE ARG A 58 -6.913 1.848 9.650 1.00 0.00 N ATOM 864 CZ ARG A 58 -6.227 2.138 10.763 1.00 0.00 C ATOM 865 NH1 ARG A 58 -4.922 2.434 10.688 1.00 0.00 N ATOM 866 NH2 ARG A 58 -6.845 2.132 11.952 1.00 0.00 N ATOM 0 H ARG A 58 -6.125 0.071 3.740 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.124 -0.559 5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.873 0.441 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.411 1.954 5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.069 2.291 7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.989 0.622 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.501 1.113 8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.906 2.806 8.053 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.904 1.627 9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.451 2.438 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.400 2.655 11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.838 1.906 12.009 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.322 2.353 12.800 1.00 0.00 H new ATOM 880 N ASP A 59 -8.552 2.344 4.064 1.00 0.00 N ATOM 881 CA ASP A 59 -9.548 3.318 3.654 1.00 0.00 C ATOM 882 C ASP A 59 -9.578 3.398 2.126 1.00 0.00 C ATOM 883 O ASP A 59 -10.597 3.760 1.540 1.00 0.00 O ATOM 884 CB ASP A 59 -9.214 4.710 4.194 1.00 0.00 C ATOM 885 CG ASP A 59 -10.348 5.731 4.098 1.00 0.00 C ATOM 886 OD1 ASP A 59 -11.453 5.399 4.578 1.00 0.00 O ATOM 887 OD2 ASP A 59 -10.085 6.821 3.545 1.00 0.00 O ATOM 0 H ASP A 59 -7.590 2.598 3.840 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.513 3.000 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.918 4.616 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.351 5.096 3.651 1.00 0.00 H new ATOM 892 N GLY A 60 -8.448 3.056 1.525 1.00 0.00 N ATOM 893 CA GLY A 60 -8.331 3.085 0.078 1.00 0.00 C ATOM 894 C GLY A 60 -7.401 4.212 -0.375 1.00 0.00 C ATOM 895 O GLY A 60 -7.329 4.523 -1.563 1.00 0.00 O ATOM 0 H GLY A 60 -7.605 2.757 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.949 2.128 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.317 3.221 -0.367 1.00 0.00 H new ATOM 899 N GLU A 61 -6.712 4.793 0.596 1.00 0.00 N ATOM 900 CA GLU A 61 -5.789 5.879 0.312 1.00 0.00 C ATOM 901 C GLU A 61 -4.643 5.384 -0.573 1.00 0.00 C ATOM 902 O GLU A 61 -3.930 4.451 -0.206 1.00 0.00 O ATOM 903 CB GLU A 61 -5.255 6.497 1.605 1.00 0.00 C ATOM 904 CG GLU A 61 -5.542 7.999 1.654 1.00 0.00 C ATOM 905 CD GLU A 61 -4.291 8.783 2.057 1.00 0.00 C ATOM 906 OE1 GLU A 61 -3.932 8.705 3.251 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.722 9.443 1.160 1.00 0.00 O ATOM 0 H GLU A 61 -6.774 4.532 1.580 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.329 6.657 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.715 6.007 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.181 6.326 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.890 8.339 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.344 8.197 2.365 1.00 0.00 H new ATOM 914 N THR A 62 -4.501 6.031 -1.720 1.00 0.00 N ATOM 915 CA THR A 62 -3.453 5.668 -2.659 1.00 0.00 C ATOM 916 C THR A 62 -2.316 6.690 -2.610 1.00 0.00 C ATOM 917 O THR A 62 -2.506 7.853 -2.960 1.00 0.00 O ATOM 918 CB THR A 62 -4.088 5.531 -4.045 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.373 4.973 -3.785 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.391 4.476 -4.907 1.00 0.00 C ATOM 0 H THR A 62 -5.094 6.804 -2.021 1.00 0.00 H new ATOM 0 HA THR A 62 -3.000 4.712 -2.397 1.00 0.00 H new ATOM 0 HB THR A 62 -4.057 6.494 -4.555 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.854 4.852 -4.630 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.881 4.419 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.345 4.750 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.450 3.506 -4.414 1.00 0.00 H new ATOM 928 N GLY A 63 -1.157 6.217 -2.174 1.00 0.00 N ATOM 929 CA GLY A 63 0.011 7.075 -2.074 1.00 0.00 C ATOM 930 C GLY A 63 1.292 6.293 -2.372 1.00 0.00 C ATOM 931 O GLY A 63 1.237 5.121 -2.742 1.00 0.00 O ATOM 0 H GLY A 63 -1.002 5.251 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.083 7.906 -2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.067 7.504 -1.074 1.00 0.00 H new ATOM 935 N TRP A 64 2.416 6.973 -2.198 1.00 0.00 N ATOM 936 CA TRP A 64 3.709 6.356 -2.443 1.00 0.00 C ATOM 937 C TRP A 64 4.267 5.878 -1.101 1.00 0.00 C ATOM 938 O TRP A 64 4.415 6.667 -0.170 1.00 0.00 O ATOM 939 CB TRP A 64 4.647 7.321 -3.171 1.00 0.00 C ATOM 940 CG TRP A 64 4.377 7.438 -4.673 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.614 8.338 -5.306 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.905 6.584 -5.710 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.610 8.128 -6.670 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.420 7.027 -6.923 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.763 5.473 -5.625 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.738 6.419 -8.144 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.071 4.877 -6.854 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.591 5.311 -8.084 1.00 0.00 C ATOM 0 H TRP A 64 2.458 7.945 -1.890 1.00 0.00 H new ATOM 0 HA TRP A 64 3.607 5.495 -3.104 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.558 8.309 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.676 6.993 -3.022 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.070 9.129 -4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.106 8.679 -7.364 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.153 5.108 -4.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.346 6.785 -9.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.728 4.020 -6.846 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.875 4.796 -8.990 1.00 0.00 H new ATOM 959 N PHE A 65 4.562 4.588 -1.045 1.00 0.00 N ATOM 960 CA PHE A 65 5.100 3.995 0.167 1.00 0.00 C ATOM 961 C PHE A 65 6.401 3.243 -0.121 1.00 0.00 C ATOM 962 O PHE A 65 6.475 2.464 -1.070 1.00 0.00 O ATOM 963 CB PHE A 65 4.055 3.003 0.682 1.00 0.00 C ATOM 964 CG PHE A 65 4.066 1.656 -0.042 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.068 0.766 0.191 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.073 1.347 -0.919 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.078 -0.484 -0.482 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.082 0.096 -1.591 1.00 0.00 C ATOM 969 CZ PHE A 65 4.085 -0.793 -1.358 1.00 0.00 C ATOM 0 H PHE A 65 4.439 3.936 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 65 5.316 4.774 0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.223 2.834 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.065 3.449 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.856 1.010 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.277 2.053 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.875 -1.190 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.293 -0.149 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.093 -1.744 -1.869 1.00 0.00 H new ATOM 979 N PRO A 66 7.421 3.509 0.738 1.00 0.00 N ATOM 980 CA PRO A 66 8.715 2.867 0.585 1.00 0.00 C ATOM 981 C PRO A 66 8.662 1.409 1.046 1.00 0.00 C ATOM 982 O PRO A 66 7.827 1.046 1.874 1.00 0.00 O ATOM 983 CB PRO A 66 9.675 3.714 1.404 1.00 0.00 C ATOM 984 CG PRO A 66 8.808 4.523 2.356 1.00 0.00 C ATOM 985 CD PRO A 66 7.370 4.426 1.873 1.00 0.00 C ATOM 0 HA PRO A 66 9.038 2.816 -0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.378 3.087 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.265 4.368 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.896 4.139 3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.134 5.563 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.713 4.049 2.657 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.985 5.402 1.577 1.00 0.00 H new ATOM 993 N GLU A 67 9.563 0.612 0.490 1.00 0.00 N ATOM 994 CA GLU A 67 9.628 -0.798 0.834 1.00 0.00 C ATOM 995 C GLU A 67 10.255 -0.978 2.218 1.00 0.00 C ATOM 996 O GLU A 67 9.862 -1.868 2.971 1.00 0.00 O ATOM 997 CB GLU A 67 10.402 -1.585 -0.225 1.00 0.00 C ATOM 998 CG GLU A 67 11.681 -0.849 -0.630 1.00 0.00 C ATOM 999 CD GLU A 67 12.876 -1.803 -0.663 1.00 0.00 C ATOM 1000 OE1 GLU A 67 13.317 -2.199 0.438 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.323 -2.115 -1.788 1.00 0.00 O ATOM 0 H GLU A 67 10.254 0.916 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 67 8.612 -1.193 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.654 -2.572 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.773 -1.737 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.547 -0.394 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.877 -0.039 0.073 1.00 0.00 H new ATOM 1008 N ASP A 68 11.220 -0.119 2.512 1.00 0.00 N ATOM 1009 CA ASP A 68 11.905 -0.172 3.792 1.00 0.00 C ATOM 1010 C ASP A 68 10.871 -0.190 4.919 1.00 0.00 C ATOM 1011 O ASP A 68 11.162 -0.639 6.027 1.00 0.00 O ATOM 1012 CB ASP A 68 12.798 1.055 3.990 1.00 0.00 C ATOM 1013 CG ASP A 68 14.286 0.749 4.174 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.627 -0.453 4.137 1.00 0.00 O ATOM 1015 OD2 ASP A 68 15.049 1.724 4.346 1.00 0.00 O ATOM 0 H ASP A 68 11.544 0.618 1.885 1.00 0.00 H new ATOM 0 HA ASP A 68 12.519 -1.072 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.682 1.713 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.445 1.606 4.862 1.00 0.00 H new ATOM 1020 N PHE A 69 9.684 0.302 4.597 1.00 0.00 N ATOM 1021 CA PHE A 69 8.604 0.348 5.569 1.00 0.00 C ATOM 1022 C PHE A 69 7.494 -0.639 5.202 1.00 0.00 C ATOM 1023 O PHE A 69 6.333 -0.431 5.551 1.00 0.00 O ATOM 1024 CB PHE A 69 8.037 1.769 5.541 1.00 0.00 C ATOM 1025 CG PHE A 69 9.012 2.838 6.038 1.00 0.00 C ATOM 1026 CD1 PHE A 69 10.071 3.203 5.267 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.820 3.423 7.250 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.976 4.196 5.728 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.725 4.415 7.711 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.784 4.781 6.940 1.00 0.00 C ATOM 0 H PHE A 69 9.446 0.672 3.677 1.00 0.00 H new ATOM 0 HA PHE A 69 8.980 0.080 6.556 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.739 2.010 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.135 1.802 6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.224 2.738 4.304 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.979 3.133 7.862 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.817 4.486 5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.572 4.879 8.674 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.472 5.536 7.291 1.00 0.00 H new ATOM 1040 N ALA A 70 7.890 -1.692 4.503 1.00 0.00 N ATOM 1041 CA ALA A 70 6.943 -2.712 4.084 1.00 0.00 C ATOM 1042 C ALA A 70 7.702 -3.992 3.731 1.00 0.00 C ATOM 1043 O ALA A 70 8.923 -3.974 3.582 1.00 0.00 O ATOM 1044 CB ALA A 70 6.110 -2.186 2.914 1.00 0.00 C ATOM 0 H ALA A 70 8.854 -1.861 4.216 1.00 0.00 H new ATOM 0 HA ALA A 70 6.253 -2.951 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.400 -2.951 2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.568 -1.293 3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.768 -1.938 2.081 1.00 0.00 H new ATOM 1050 N ARG A 71 6.948 -5.074 3.607 1.00 0.00 N ATOM 1051 CA ARG A 71 7.534 -6.362 3.273 1.00 0.00 C ATOM 1052 C ARG A 71 6.671 -7.086 2.239 1.00 0.00 C ATOM 1053 O ARG A 71 5.450 -7.144 2.375 1.00 0.00 O ATOM 1054 CB ARG A 71 7.674 -7.242 4.517 1.00 0.00 C ATOM 1055 CG ARG A 71 6.340 -7.361 5.257 1.00 0.00 C ATOM 1056 CD ARG A 71 6.333 -8.579 6.183 1.00 0.00 C ATOM 1057 NE ARG A 71 6.245 -9.821 5.384 1.00 0.00 N ATOM 1058 CZ ARG A 71 6.113 -11.046 5.911 1.00 0.00 C ATOM 1059 NH1 ARG A 71 6.055 -11.200 7.241 1.00 0.00 N ATOM 1060 NH2 ARG A 71 6.040 -12.117 5.108 1.00 0.00 N ATOM 0 H ARG A 71 5.936 -5.086 3.732 1.00 0.00 H new ATOM 0 HA ARG A 71 8.525 -6.178 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.024 -8.233 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.427 -6.820 5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.161 -6.457 5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.526 -7.443 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.239 -8.590 6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.489 -8.519 6.871 1.00 0.00 H new ATOM 0 HE ARG A 71 6.287 -9.740 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.111 -10.385 7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.955 -12.132 7.643 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.085 -12.000 4.096 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.940 -13.049 5.509 1.00 0.00 H new ATOM 1074 N PHE A 72 7.339 -7.621 1.227 1.00 0.00 N ATOM 1075 CA PHE A 72 6.649 -8.339 0.170 1.00 0.00 C ATOM 1076 C PHE A 72 6.203 -9.723 0.648 1.00 0.00 C ATOM 1077 O PHE A 72 6.997 -10.662 0.669 1.00 0.00 O ATOM 1078 CB PHE A 72 7.643 -8.506 -0.981 1.00 0.00 C ATOM 1079 CG PHE A 72 7.595 -7.378 -2.013 1.00 0.00 C ATOM 1080 CD1 PHE A 72 8.375 -6.275 -1.853 1.00 0.00 C ATOM 1081 CD2 PHE A 72 6.771 -7.477 -3.091 1.00 0.00 C ATOM 1082 CE1 PHE A 72 8.330 -5.228 -2.811 1.00 0.00 C ATOM 1083 CE2 PHE A 72 6.727 -6.430 -4.049 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.507 -5.328 -3.889 1.00 0.00 C ATOM 0 H PHE A 72 8.352 -7.571 1.117 1.00 0.00 H new ATOM 0 HA PHE A 72 5.761 -7.786 -0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.651 -8.567 -0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.446 -9.453 -1.483 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.029 -6.196 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.150 -8.352 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.949 -4.352 -2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.074 -6.509 -4.905 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.473 -4.532 -4.618 1.00 0.00 H new ATOM 1094 N ILE A 73 4.934 -9.805 1.020 1.00 0.00 N ATOM 1095 CA ILE A 73 4.373 -11.057 1.496 1.00 0.00 C ATOM 1096 C ILE A 73 4.711 -12.172 0.504 1.00 0.00 C ATOM 1097 O ILE A 73 5.530 -13.042 0.797 1.00 0.00 O ATOM 1098 CB ILE A 73 2.874 -10.906 1.764 1.00 0.00 C ATOM 1099 CG1 ILE A 73 2.602 -9.731 2.706 1.00 0.00 C ATOM 1100 CG2 ILE A 73 2.277 -12.213 2.290 1.00 0.00 C ATOM 1101 CD1 ILE A 73 1.175 -9.788 3.255 1.00 0.00 C ATOM 0 H ILE A 73 4.278 -9.024 1.001 1.00 0.00 H new ATOM 0 HA ILE A 73 4.817 -11.334 2.452 1.00 0.00 H new ATOM 0 HB ILE A 73 2.378 -10.683 0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.314 -9.749 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.754 -8.791 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.211 -12.079 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.422 -13.002 1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.772 -12.491 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.008 -8.942 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.465 -9.745 2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.034 -10.718 3.806 1.00 0.00 H new ATOM 1113 N SER A 74 4.062 -12.110 -0.650 1.00 0.00 N ATOM 1114 CA SER A 74 4.283 -13.104 -1.687 1.00 0.00 C ATOM 1115 C SER A 74 4.065 -12.478 -3.066 1.00 0.00 C ATOM 1116 O SER A 74 2.927 -12.279 -3.488 1.00 0.00 O ATOM 1117 CB SER A 74 3.361 -14.310 -1.500 1.00 0.00 C ATOM 1118 OG SER A 74 3.873 -15.230 -0.539 1.00 0.00 O ATOM 0 H SER A 74 3.383 -11.387 -0.890 1.00 0.00 H new ATOM 0 HA SER A 74 5.313 -13.454 -1.612 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.375 -13.967 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.231 -14.819 -2.455 1.00 0.00 H new ATOM 0 HG SER A 74 4.521 -14.774 0.038 1.00 0.00 H new ATOM 1124 N GLY A 75 5.174 -12.185 -3.729 1.00 0.00 N ATOM 1125 CA GLY A 75 5.118 -11.585 -5.052 1.00 0.00 C ATOM 1126 C GLY A 75 4.807 -12.638 -6.118 1.00 0.00 C ATOM 1127 O GLY A 75 4.422 -13.760 -5.794 1.00 0.00 O ATOM 0 H GLY A 75 6.116 -12.352 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.355 -10.807 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.070 -11.104 -5.278 1.00 0.00 H new ATOM 1131 N PRO A 76 4.992 -12.227 -7.401 1.00 0.00 N ATOM 1132 CA PRO A 76 4.735 -13.122 -8.517 1.00 0.00 C ATOM 1133 C PRO A 76 5.849 -14.162 -8.653 1.00 0.00 C ATOM 1134 O PRO A 76 6.677 -14.075 -9.559 1.00 0.00 O ATOM 1135 CB PRO A 76 4.619 -12.214 -9.731 1.00 0.00 C ATOM 1136 CG PRO A 76 5.271 -10.900 -9.333 1.00 0.00 C ATOM 1137 CD PRO A 76 5.447 -10.906 -7.823 1.00 0.00 C ATOM 0 HA PRO A 76 3.825 -13.708 -8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.119 -12.652 -10.595 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.576 -12.064 -10.008 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.235 -10.786 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.652 -10.058 -9.642 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.488 -10.738 -7.545 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.860 -10.117 -7.353 1.00 0.00 H new ATOM 1145 N SER A 77 5.835 -15.121 -7.739 1.00 0.00 N ATOM 1146 CA SER A 77 6.833 -16.176 -7.746 1.00 0.00 C ATOM 1147 C SER A 77 8.232 -15.573 -7.890 1.00 0.00 C ATOM 1148 O SER A 77 8.693 -15.325 -9.003 1.00 0.00 O ATOM 1149 CB SER A 77 6.569 -17.178 -8.873 1.00 0.00 C ATOM 1150 OG SER A 77 5.994 -18.388 -8.387 1.00 0.00 O ATOM 0 H SER A 77 5.148 -15.189 -6.988 1.00 0.00 H new ATOM 0 HA SER A 77 6.770 -16.711 -6.798 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.901 -16.729 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.504 -17.401 -9.386 1.00 0.00 H new ATOM 0 HG SER A 77 5.839 -19.001 -9.136 1.00 0.00 H new ATOM 1156 N SER A 78 8.867 -15.354 -6.748 1.00 0.00 N ATOM 1157 CA SER A 78 10.204 -14.784 -6.733 1.00 0.00 C ATOM 1158 C SER A 78 10.925 -15.175 -5.442 1.00 0.00 C ATOM 1159 O SER A 78 10.289 -15.572 -4.467 1.00 0.00 O ATOM 1160 CB SER A 78 10.155 -13.261 -6.873 1.00 0.00 C ATOM 1161 OG SER A 78 10.524 -12.832 -8.181 1.00 0.00 O ATOM 0 H SER A 78 8.481 -15.561 -5.827 1.00 0.00 H new ATOM 0 HA SER A 78 10.755 -15.183 -7.585 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.149 -12.909 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.824 -12.808 -6.141 1.00 0.00 H new ATOM 0 HG SER A 78 10.124 -13.430 -8.846 1.00 0.00 H new ATOM 1167 N GLY A 79 12.243 -15.049 -5.477 1.00 0.00 N ATOM 1168 CA GLY A 79 13.058 -15.385 -4.321 1.00 0.00 C ATOM 1169 C GLY A 79 13.294 -16.894 -4.237 1.00 0.00 C ATOM 1170 O GLY A 79 12.349 -17.666 -4.079 1.00 0.00 O ATOM 0 H GLY A 79 12.767 -14.719 -6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.015 -14.867 -4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.566 -15.039 -3.412 1.00 0.00 H new TER 1174 GLY A 79