USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.247 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.5) USER MOD Single : A 17 ASN :FLIP amide:sc= 0.722 F(o=-0.61,f=0.72) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -36:sc= 0.637 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -130:sc= -0.2 (180deg=-0.906) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.038) USER MOD Single : A 61 ASN : amide:sc= -0.135! C(o=-0.14!,f=-5.8!) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 93:sc= -0.116 USER MOD Single : A 77 TYR OH : rot 39:sc= 0.16 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 47:sc= 1.18 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 6:sc= 0.585 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 104 GLN : amide:sc= -2.85 K(o=-2.9,f=-4.8!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.835 K(o=-0.84,f=-4.2!) USER MOD Single : A 116 SER OG : rot 22:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.188 42.552 11.353 1.00 0.00 N ATOM 2 CA GLY A 1 5.076 42.649 10.210 1.00 0.00 C ATOM 3 C GLY A 1 4.324 42.730 8.896 1.00 0.00 C ATOM 4 O GLY A 1 3.731 43.760 8.575 1.00 0.00 O ATOM 0 H1 GLY A 1 4.751 42.499 12.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.573 43.390 11.387 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.603 41.697 11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.708 43.531 10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.738 41.783 10.193 1.00 0.00 H new ATOM 8 N SER A 2 4.349 41.642 8.134 1.00 0.00 N ATOM 9 CA SER A 2 3.669 41.595 6.845 1.00 0.00 C ATOM 10 C SER A 2 2.156 41.524 7.031 1.00 0.00 C ATOM 11 O SER A 2 1.647 40.654 7.737 1.00 0.00 O ATOM 12 CB SER A 2 4.151 40.392 6.033 1.00 0.00 C ATOM 13 OG SER A 2 3.715 39.176 6.615 1.00 0.00 O ATOM 0 H SER A 2 4.833 40.781 8.387 1.00 0.00 H new ATOM 0 HA SER A 2 3.909 42.510 6.303 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.776 40.465 5.012 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.239 40.401 5.975 1.00 0.00 H new ATOM 0 HG SER A 2 2.909 39.339 7.148 1.00 0.00 H new ATOM 19 N SER A 3 1.444 42.447 6.392 1.00 0.00 N ATOM 20 CA SER A 3 -0.010 42.493 6.490 1.00 0.00 C ATOM 21 C SER A 3 -0.649 41.458 5.569 1.00 0.00 C ATOM 22 O SER A 3 -1.359 40.560 6.022 1.00 0.00 O ATOM 23 CB SER A 3 -0.523 43.891 6.138 1.00 0.00 C ATOM 24 OG SER A 3 -1.750 44.164 6.792 1.00 0.00 O ATOM 0 H SER A 3 1.850 43.173 5.801 1.00 0.00 H new ATOM 0 HA SER A 3 -0.288 42.261 7.518 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.219 44.637 6.424 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.657 43.972 5.059 1.00 0.00 H new ATOM 0 HG SER A 3 -2.056 45.064 6.552 1.00 0.00 H new ATOM 30 N GLY A 4 -0.392 41.590 4.271 1.00 0.00 N ATOM 31 CA GLY A 4 -0.949 40.661 3.306 1.00 0.00 C ATOM 32 C GLY A 4 -2.423 40.907 3.047 1.00 0.00 C ATOM 33 O GLY A 4 -2.909 42.027 3.204 1.00 0.00 O ATOM 0 H GLY A 4 0.192 42.324 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.400 40.744 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.812 39.642 3.667 1.00 0.00 H new ATOM 37 N SER A 5 -3.135 39.858 2.649 1.00 0.00 N ATOM 38 CA SER A 5 -4.561 39.966 2.363 1.00 0.00 C ATOM 39 C SER A 5 -5.356 38.940 3.165 1.00 0.00 C ATOM 40 O SER A 5 -4.784 38.118 3.881 1.00 0.00 O ATOM 41 CB SER A 5 -4.818 39.772 0.867 1.00 0.00 C ATOM 42 OG SER A 5 -4.632 38.420 0.489 1.00 0.00 O ATOM 0 H SER A 5 -2.748 38.924 2.517 1.00 0.00 H new ATOM 0 HA SER A 5 -4.891 40.963 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.834 40.084 0.626 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.145 40.409 0.294 1.00 0.00 H new ATOM 0 HG SER A 5 -4.804 38.322 -0.471 1.00 0.00 H new ATOM 48 N SER A 6 -6.678 38.994 3.038 1.00 0.00 N ATOM 49 CA SER A 6 -7.553 38.073 3.753 1.00 0.00 C ATOM 50 C SER A 6 -8.653 37.547 2.837 1.00 0.00 C ATOM 51 O SER A 6 -9.245 38.299 2.064 1.00 0.00 O ATOM 52 CB SER A 6 -8.173 38.765 4.969 1.00 0.00 C ATOM 53 OG SER A 6 -9.155 37.944 5.577 1.00 0.00 O ATOM 0 H SER A 6 -7.166 39.666 2.446 1.00 0.00 H new ATOM 0 HA SER A 6 -6.952 37.229 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.394 39.002 5.693 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.623 39.710 4.664 1.00 0.00 H new ATOM 0 HG SER A 6 -9.535 38.408 6.352 1.00 0.00 H new ATOM 59 N GLY A 7 -8.921 36.248 2.930 1.00 0.00 N ATOM 60 CA GLY A 7 -9.949 35.642 2.104 1.00 0.00 C ATOM 61 C GLY A 7 -10.207 34.193 2.468 1.00 0.00 C ATOM 62 O GLY A 7 -9.602 33.646 3.390 1.00 0.00 O ATOM 0 H GLY A 7 -8.445 35.605 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.874 36.209 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.652 35.703 1.057 1.00 0.00 H new ATOM 66 N PRO A 8 -11.126 33.548 1.735 1.00 0.00 N ATOM 67 CA PRO A 8 -11.484 32.146 1.968 1.00 0.00 C ATOM 68 C PRO A 8 -10.362 31.189 1.581 1.00 0.00 C ATOM 69 O PRO A 8 -9.577 31.451 0.670 1.00 0.00 O ATOM 70 CB PRO A 8 -12.702 31.936 1.065 1.00 0.00 C ATOM 71 CG PRO A 8 -12.551 32.949 -0.017 1.00 0.00 C ATOM 72 CD PRO A 8 -11.886 34.139 0.620 1.00 0.00 C ATOM 0 HA PRO A 8 -11.678 31.945 3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.725 30.924 0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.632 32.080 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.949 32.558 -0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.520 33.221 -0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.233 34.658 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.617 34.867 0.973 1.00 0.00 H new ATOM 80 N PRO A 9 -10.282 30.052 2.289 1.00 0.00 N ATOM 81 CA PRO A 9 -9.260 29.033 2.036 1.00 0.00 C ATOM 82 C PRO A 9 -9.478 28.308 0.712 1.00 0.00 C ATOM 83 O PRO A 9 -10.569 27.807 0.440 1.00 0.00 O ATOM 84 CB PRO A 9 -9.428 28.064 3.209 1.00 0.00 C ATOM 85 CG PRO A 9 -10.844 28.232 3.640 1.00 0.00 C ATOM 86 CD PRO A 9 -11.185 29.675 3.389 1.00 0.00 C ATOM 0 HA PRO A 9 -8.263 29.466 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.226 27.037 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.737 28.299 4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.504 27.572 3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.964 27.980 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.231 29.798 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.017 30.288 4.275 1.00 0.00 H new ATOM 94 N VAL A 10 -8.434 28.257 -0.108 1.00 0.00 N ATOM 95 CA VAL A 10 -8.511 27.592 -1.404 1.00 0.00 C ATOM 96 C VAL A 10 -7.374 26.592 -1.577 1.00 0.00 C ATOM 97 O VAL A 10 -6.203 26.932 -1.405 1.00 0.00 O ATOM 98 CB VAL A 10 -8.466 28.609 -2.560 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.132 29.340 -2.576 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.719 27.915 -3.889 1.00 0.00 C ATOM 0 H VAL A 10 -7.524 28.668 0.102 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.464 27.063 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.255 29.345 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.118 30.054 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.996 29.870 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.324 28.620 -2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.684 28.648 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.954 27.156 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.701 27.442 -3.871 1.00 0.00 H new ATOM 110 N ILE A 11 -7.726 25.357 -1.918 1.00 0.00 N ATOM 111 CA ILE A 11 -6.735 24.307 -2.116 1.00 0.00 C ATOM 112 C ILE A 11 -6.206 24.313 -3.547 1.00 0.00 C ATOM 113 O ILE A 11 -6.878 23.853 -4.470 1.00 0.00 O ATOM 114 CB ILE A 11 -7.317 22.916 -1.802 1.00 0.00 C ATOM 115 CG1 ILE A 11 -7.582 22.778 -0.302 1.00 0.00 C ATOM 116 CG2 ILE A 11 -6.371 21.826 -2.281 1.00 0.00 C ATOM 117 CD1 ILE A 11 -8.718 21.833 0.026 1.00 0.00 C ATOM 0 H ILE A 11 -8.691 25.059 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.916 24.513 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.264 22.806 -2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.674 22.426 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.807 23.761 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.796 20.849 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.228 21.916 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.410 21.931 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.850 21.784 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.637 22.195 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.487 20.839 -0.357 1.00 0.00 H new ATOM 129 N ARG A 12 -4.997 24.837 -3.722 1.00 0.00 N ATOM 130 CA ARG A 12 -4.377 24.902 -5.040 1.00 0.00 C ATOM 131 C ARG A 12 -3.921 23.519 -5.496 1.00 0.00 C ATOM 132 O ARG A 12 -4.132 23.134 -6.646 1.00 0.00 O ATOM 133 CB ARG A 12 -3.186 25.862 -5.020 1.00 0.00 C ATOM 134 CG ARG A 12 -3.551 27.276 -4.599 1.00 0.00 C ATOM 135 CD ARG A 12 -4.301 28.009 -5.700 1.00 0.00 C ATOM 136 NE ARG A 12 -5.642 27.467 -5.903 1.00 0.00 N ATOM 137 CZ ARG A 12 -6.330 27.612 -7.030 1.00 0.00 C ATOM 138 NH1 ARG A 12 -5.807 28.279 -8.049 1.00 0.00 N ATOM 139 NH2 ARG A 12 -7.545 27.089 -7.139 1.00 0.00 N ATOM 0 H ARG A 12 -4.428 25.222 -2.968 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.121 25.271 -5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.428 25.473 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.737 25.892 -6.013 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.165 27.242 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.645 27.827 -4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.372 29.067 -5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.737 27.940 -6.630 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.074 26.949 -5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.874 28.683 -7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.338 28.389 -8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.951 26.575 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.073 27.201 -8.005 1.00 0.00 H new ATOM 153 N GLN A 13 -3.296 22.778 -4.587 1.00 0.00 N ATOM 154 CA GLN A 13 -2.810 21.439 -4.897 1.00 0.00 C ATOM 155 C GLN A 13 -3.166 20.459 -3.783 1.00 0.00 C ATOM 156 O GLN A 13 -2.520 20.432 -2.737 1.00 0.00 O ATOM 157 CB GLN A 13 -1.295 21.460 -5.109 1.00 0.00 C ATOM 158 CG GLN A 13 -0.772 20.259 -5.880 1.00 0.00 C ATOM 159 CD GLN A 13 -1.215 20.258 -7.329 1.00 0.00 C ATOM 160 OE1 GLN A 13 -1.753 21.247 -7.827 1.00 0.00 O ATOM 161 NE2 GLN A 13 -0.989 19.144 -8.017 1.00 0.00 N ATOM 0 H GLN A 13 -3.114 23.082 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.294 21.108 -5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.024 22.370 -5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.801 21.501 -4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.317 20.251 -5.837 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.117 19.344 -5.398 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.540 18.347 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.264 19.085 -8.997 1.00 0.00 H new ATOM 170 N GLY A 14 -4.199 19.656 -4.017 1.00 0.00 N ATOM 171 CA GLY A 14 -4.624 18.687 -3.024 1.00 0.00 C ATOM 172 C GLY A 14 -4.463 17.258 -3.503 1.00 0.00 C ATOM 173 O GLY A 14 -3.954 17.000 -4.595 1.00 0.00 O ATOM 0 H GLY A 14 -4.749 19.659 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.045 18.829 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.669 18.866 -2.770 1.00 0.00 H new ATOM 177 N PRO A 15 -4.902 16.298 -2.675 1.00 0.00 N ATOM 178 CA PRO A 15 -4.813 14.871 -2.999 1.00 0.00 C ATOM 179 C PRO A 15 -5.763 14.472 -4.123 1.00 0.00 C ATOM 180 O PRO A 15 -6.921 14.889 -4.148 1.00 0.00 O ATOM 181 CB PRO A 15 -5.214 14.185 -1.690 1.00 0.00 C ATOM 182 CG PRO A 15 -6.066 15.183 -0.985 1.00 0.00 C ATOM 183 CD PRO A 15 -5.519 16.533 -1.359 1.00 0.00 C ATOM 0 HA PRO A 15 -3.820 14.594 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.760 13.261 -1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.338 13.922 -1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.109 15.088 -1.286 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.031 15.033 0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.306 17.285 -1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.790 16.887 -0.631 1.00 0.00 H new ATOM 191 N VAL A 16 -5.267 13.661 -5.051 1.00 0.00 N ATOM 192 CA VAL A 16 -6.072 13.203 -6.177 1.00 0.00 C ATOM 193 C VAL A 16 -6.338 11.705 -6.090 1.00 0.00 C ATOM 194 O VAL A 16 -5.576 10.964 -5.470 1.00 0.00 O ATOM 195 CB VAL A 16 -5.387 13.515 -7.521 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.271 15.018 -7.725 1.00 0.00 C ATOM 197 CG2 VAL A 16 -4.019 12.853 -7.587 1.00 0.00 C ATOM 0 H VAL A 16 -4.310 13.307 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.019 13.740 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.001 13.110 -8.325 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.785 15.219 -8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.266 15.463 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.679 15.450 -6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.549 13.084 -8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.394 13.227 -6.776 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.132 11.773 -7.489 1.00 0.00 H new ATOM 207 N ASN A 17 -7.423 11.264 -6.717 1.00 0.00 N ATOM 208 CA ASN A 17 -7.790 9.853 -6.711 1.00 0.00 C ATOM 209 C ASN A 17 -6.675 8.998 -7.306 1.00 0.00 C ATOM 210 O ASN A 17 -6.295 9.175 -8.463 1.00 0.00 O ATOM 211 CB ASN A 17 -9.086 9.637 -7.496 1.00 0.00 C ATOM 212 CG ASN A 17 -9.170 10.520 -8.726 1.00 0.00 C ATOM 213 OD1 ASN A 17 -10.231 11.313 -8.814 1.00 0.00 O flip ATOM 214 ND2 ASN A 17 -8.291 10.488 -9.588 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.064 11.864 -7.236 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.945 9.549 -5.676 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.156 8.592 -7.797 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.939 9.839 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.492 9.863 -9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.361 11.087 -10.411 1.00 0.00 H new ATOM 221 N GLN A 18 -6.155 8.073 -6.506 1.00 0.00 N ATOM 222 CA GLN A 18 -5.083 7.191 -6.953 1.00 0.00 C ATOM 223 C GLN A 18 -5.309 5.766 -6.459 1.00 0.00 C ATOM 224 O GLN A 18 -5.793 5.552 -5.347 1.00 0.00 O ATOM 225 CB GLN A 18 -3.731 7.707 -6.459 1.00 0.00 C ATOM 226 CG GLN A 18 -3.670 7.911 -4.954 1.00 0.00 C ATOM 227 CD GLN A 18 -2.501 8.778 -4.529 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.411 8.691 -5.095 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.722 9.621 -3.527 1.00 0.00 N ATOM 0 H GLN A 18 -6.458 7.915 -5.545 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.084 7.182 -8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.953 7.002 -6.753 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.509 8.652 -6.955 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.599 8.369 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.595 6.941 -4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.641 9.660 -3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.973 10.230 -3.198 1.00 0.00 H new ATOM 238 N THR A 19 -4.955 4.793 -7.292 1.00 0.00 N ATOM 239 CA THR A 19 -5.120 3.388 -6.941 1.00 0.00 C ATOM 240 C THR A 19 -3.861 2.834 -6.283 1.00 0.00 C ATOM 241 O THR A 19 -2.744 3.146 -6.696 1.00 0.00 O ATOM 242 CB THR A 19 -5.456 2.535 -8.179 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.376 3.237 -9.023 1.00 0.00 O ATOM 244 CG2 THR A 19 -6.055 1.198 -7.769 1.00 0.00 C ATOM 0 H THR A 19 -4.552 4.952 -8.215 1.00 0.00 H new ATOM 0 HA THR A 19 -5.949 3.334 -6.236 1.00 0.00 H new ATOM 0 HB THR A 19 -4.532 2.349 -8.726 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.583 2.689 -9.808 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.284 0.613 -8.660 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.341 0.653 -7.151 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.970 1.368 -7.202 1.00 0.00 H new ATOM 252 N VAL A 20 -4.049 2.010 -5.258 1.00 0.00 N ATOM 253 CA VAL A 20 -2.928 1.411 -4.543 1.00 0.00 C ATOM 254 C VAL A 20 -3.164 -0.075 -4.296 1.00 0.00 C ATOM 255 O VAL A 20 -4.303 -0.515 -4.143 1.00 0.00 O ATOM 256 CB VAL A 20 -2.683 2.112 -3.194 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.786 1.263 -2.306 1.00 0.00 C ATOM 258 CG2 VAL A 20 -2.078 3.491 -3.413 1.00 0.00 C ATOM 0 H VAL A 20 -4.967 1.742 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.048 1.536 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.641 2.236 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.624 1.775 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.262 0.300 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.828 1.105 -2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.911 3.972 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.128 3.392 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.761 4.097 -4.008 1.00 0.00 H new ATOM 268 N ALA A 21 -2.080 -0.843 -4.257 1.00 0.00 N ATOM 269 CA ALA A 21 -2.170 -2.279 -4.026 1.00 0.00 C ATOM 270 C ALA A 21 -2.181 -2.595 -2.534 1.00 0.00 C ATOM 271 O ALA A 21 -1.629 -1.848 -1.726 1.00 0.00 O ATOM 272 CB ALA A 21 -1.016 -2.997 -4.710 1.00 0.00 C ATOM 0 H ALA A 21 -1.130 -0.494 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.108 -2.633 -4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.096 -4.069 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.053 -2.806 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.071 -2.631 -4.309 1.00 0.00 H new ATOM 278 N VAL A 22 -2.815 -3.707 -2.174 1.00 0.00 N ATOM 279 CA VAL A 22 -2.898 -4.122 -0.779 1.00 0.00 C ATOM 280 C VAL A 22 -1.564 -3.928 -0.067 1.00 0.00 C ATOM 281 O VAL A 22 -0.504 -3.960 -0.694 1.00 0.00 O ATOM 282 CB VAL A 22 -3.324 -5.597 -0.656 1.00 0.00 C ATOM 283 CG1 VAL A 22 -2.993 -6.135 0.728 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.807 -5.750 -0.957 1.00 0.00 C ATOM 0 H VAL A 22 -3.278 -4.336 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.653 -3.493 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.767 -6.181 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.301 -7.178 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.919 -6.062 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.521 -5.551 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.091 -6.798 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.385 -5.155 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.010 -5.407 -1.971 1.00 0.00 H new ATOM 294 N ASP A 23 -1.622 -3.729 1.245 1.00 0.00 N ATOM 295 CA ASP A 23 -0.418 -3.532 2.043 1.00 0.00 C ATOM 296 C ASP A 23 0.603 -2.687 1.287 1.00 0.00 C ATOM 297 O ASP A 23 1.809 -2.891 1.415 1.00 0.00 O ATOM 298 CB ASP A 23 0.197 -4.881 2.419 1.00 0.00 C ATOM 299 CG ASP A 23 -0.616 -5.616 3.466 1.00 0.00 C ATOM 300 OD1 ASP A 23 -1.846 -5.404 3.519 1.00 0.00 O ATOM 301 OD2 ASP A 23 -0.023 -6.402 4.235 1.00 0.00 O ATOM 0 H ASP A 23 -2.491 -3.700 1.779 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.698 -3.003 2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.280 -5.501 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.209 -4.724 2.793 1.00 0.00 H new ATOM 306 N GLY A 24 0.109 -1.737 0.498 1.00 0.00 N ATOM 307 CA GLY A 24 0.992 -0.876 -0.268 1.00 0.00 C ATOM 308 C GLY A 24 1.391 0.371 0.496 1.00 0.00 C ATOM 309 O GLY A 24 1.848 0.290 1.637 1.00 0.00 O ATOM 0 H GLY A 24 -0.886 -1.548 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.888 -1.432 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.498 -0.588 -1.196 1.00 0.00 H new ATOM 313 N THR A 25 1.221 1.529 -0.135 1.00 0.00 N ATOM 314 CA THR A 25 1.570 2.798 0.491 1.00 0.00 C ATOM 315 C THR A 25 0.940 3.970 -0.254 1.00 0.00 C ATOM 316 O THR A 25 1.246 4.213 -1.421 1.00 0.00 O ATOM 317 CB THR A 25 3.096 2.998 0.543 1.00 0.00 C ATOM 318 OG1 THR A 25 3.730 1.811 1.031 1.00 0.00 O ATOM 319 CG2 THR A 25 3.458 4.176 1.435 1.00 0.00 C ATOM 0 H THR A 25 0.844 1.614 -1.079 1.00 0.00 H new ATOM 0 HA THR A 25 1.181 2.766 1.509 1.00 0.00 H new ATOM 0 HB THR A 25 3.447 3.207 -0.468 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.170 1.402 1.723 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.541 4.297 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.999 5.084 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.094 3.992 2.446 1.00 0.00 H new ATOM 327 N PHE A 26 0.059 4.693 0.429 1.00 0.00 N ATOM 328 CA PHE A 26 -0.615 5.840 -0.169 1.00 0.00 C ATOM 329 C PHE A 26 -0.522 7.061 0.742 1.00 0.00 C ATOM 330 O PHE A 26 -0.773 6.973 1.944 1.00 0.00 O ATOM 331 CB PHE A 26 -2.082 5.508 -0.448 1.00 0.00 C ATOM 332 CG PHE A 26 -2.916 5.383 0.795 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.853 4.240 1.574 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.761 6.410 1.184 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.620 4.122 2.718 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.529 6.298 2.328 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.458 5.153 3.096 1.00 0.00 C ATOM 0 H PHE A 26 -0.205 4.505 1.396 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.117 6.072 -1.110 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.507 6.284 -1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.135 4.574 -1.007 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.198 3.432 1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.820 7.308 0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.564 3.224 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.184 7.105 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.056 5.064 3.991 1.00 0.00 H new ATOM 347 N VAL A 27 -0.159 8.200 0.160 1.00 0.00 N ATOM 348 CA VAL A 27 -0.034 9.439 0.918 1.00 0.00 C ATOM 349 C VAL A 27 -0.859 10.555 0.287 1.00 0.00 C ATOM 350 O VAL A 27 -0.908 10.690 -0.936 1.00 0.00 O ATOM 351 CB VAL A 27 1.435 9.892 1.013 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.110 9.807 -0.347 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.522 11.304 1.573 1.00 0.00 C ATOM 0 H VAL A 27 0.054 8.290 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.410 9.236 1.921 1.00 0.00 H new ATOM 0 HB VAL A 27 1.960 9.222 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.147 10.131 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.080 8.778 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.587 10.451 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.567 11.608 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.982 11.989 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.079 11.328 2.569 1.00 0.00 H new ATOM 363 N LEU A 28 -1.505 11.354 1.130 1.00 0.00 N ATOM 364 CA LEU A 28 -2.329 12.460 0.655 1.00 0.00 C ATOM 365 C LEU A 28 -1.743 13.800 1.090 1.00 0.00 C ATOM 366 O LEU A 28 -1.485 14.021 2.273 1.00 0.00 O ATOM 367 CB LEU A 28 -3.758 12.320 1.181 1.00 0.00 C ATOM 368 CG LEU A 28 -4.410 10.949 0.997 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.500 10.732 2.035 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.975 10.812 -0.409 1.00 0.00 C ATOM 0 H LEU A 28 -1.474 11.256 2.145 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.345 12.428 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.758 12.560 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.381 13.065 0.686 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.647 10.183 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.952 9.751 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.067 10.786 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.263 11.503 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.435 9.830 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.724 11.586 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.171 10.922 -1.137 1.00 0.00 H new ATOM 382 N SER A 29 -1.539 14.691 0.125 1.00 0.00 N ATOM 383 CA SER A 29 -0.983 16.009 0.408 1.00 0.00 C ATOM 384 C SER A 29 -1.994 17.106 0.089 1.00 0.00 C ATOM 385 O SER A 29 -2.491 17.201 -1.034 1.00 0.00 O ATOM 386 CB SER A 29 0.298 16.230 -0.400 1.00 0.00 C ATOM 387 OG SER A 29 1.426 15.704 0.278 1.00 0.00 O ATOM 0 H SER A 29 -1.750 14.524 -0.859 1.00 0.00 H new ATOM 0 HA SER A 29 -0.747 16.055 1.471 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.202 15.755 -1.376 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.441 17.296 -0.577 1.00 0.00 H new ATOM 0 HG SER A 29 2.231 15.856 -0.260 1.00 0.00 H new ATOM 393 N CYS A 30 -2.296 17.932 1.085 1.00 0.00 N ATOM 394 CA CYS A 30 -3.248 19.022 0.913 1.00 0.00 C ATOM 395 C CYS A 30 -2.574 20.374 1.132 1.00 0.00 C ATOM 396 O CYS A 30 -1.956 20.610 2.171 1.00 0.00 O ATOM 397 CB CYS A 30 -4.420 18.861 1.883 1.00 0.00 C ATOM 398 SG CYS A 30 -5.802 20.009 1.578 1.00 0.00 S ATOM 0 H CYS A 30 -1.895 17.867 2.020 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.623 18.985 -0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.791 17.838 1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.058 19.007 2.901 1.00 0.00 H new ATOM 403 N VAL A 31 -2.697 21.257 0.147 1.00 0.00 N ATOM 404 CA VAL A 31 -2.101 22.585 0.232 1.00 0.00 C ATOM 405 C VAL A 31 -3.148 23.672 0.015 1.00 0.00 C ATOM 406 O VAL A 31 -3.649 23.853 -1.095 1.00 0.00 O ATOM 407 CB VAL A 31 -0.973 22.761 -0.801 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.394 24.166 -0.727 1.00 0.00 C ATOM 409 CG2 VAL A 31 0.112 21.717 -0.587 1.00 0.00 C ATOM 0 H VAL A 31 -3.204 21.077 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.684 22.681 1.234 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.391 22.619 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.402 24.271 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.178 24.894 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.010 24.341 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.901 21.856 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.529 21.825 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.316 20.720 -0.696 1.00 0.00 H new ATOM 419 N ALA A 32 -3.475 24.393 1.082 1.00 0.00 N ATOM 420 CA ALA A 32 -4.460 25.465 1.008 1.00 0.00 C ATOM 421 C ALA A 32 -3.883 26.778 1.524 1.00 0.00 C ATOM 422 O ALA A 32 -3.003 26.787 2.386 1.00 0.00 O ATOM 423 CB ALA A 32 -5.708 25.089 1.794 1.00 0.00 C ATOM 0 H ALA A 32 -3.072 24.254 2.009 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.731 25.605 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.436 25.898 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.140 24.179 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.443 24.920 2.838 1.00 0.00 H new ATOM 429 N THR A 33 -4.383 27.889 0.992 1.00 0.00 N ATOM 430 CA THR A 33 -3.916 29.209 1.397 1.00 0.00 C ATOM 431 C THR A 33 -4.803 29.794 2.490 1.00 0.00 C ATOM 432 O THR A 33 -5.958 29.400 2.644 1.00 0.00 O ATOM 433 CB THR A 33 -3.880 30.183 0.205 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.136 30.861 0.088 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.574 29.443 -1.089 1.00 0.00 C ATOM 0 H THR A 33 -5.112 27.901 0.279 1.00 0.00 H new ATOM 0 HA THR A 33 -2.904 29.082 1.783 1.00 0.00 H new ATOM 0 HB THR A 33 -3.090 30.912 0.383 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.104 31.480 -0.671 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.554 30.151 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.604 28.953 -1.007 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.345 28.694 -1.271 1.00 0.00 H new ATOM 443 N GLY A 34 -4.255 30.740 3.248 1.00 0.00 N ATOM 444 CA GLY A 34 -5.012 31.365 4.317 1.00 0.00 C ATOM 445 C GLY A 34 -4.127 31.835 5.455 1.00 0.00 C ATOM 446 O GLY A 34 -3.166 31.160 5.823 1.00 0.00 O ATOM 0 H GLY A 34 -3.301 31.084 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.566 32.214 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.746 30.657 4.700 1.00 0.00 H new ATOM 450 N SER A 35 -4.451 32.998 6.012 1.00 0.00 N ATOM 451 CA SER A 35 -3.676 33.561 7.111 1.00 0.00 C ATOM 452 C SER A 35 -4.566 33.837 8.319 1.00 0.00 C ATOM 453 O SER A 35 -5.570 34.544 8.234 1.00 0.00 O ATOM 454 CB SER A 35 -2.985 34.852 6.666 1.00 0.00 C ATOM 455 OG SER A 35 -1.795 35.073 7.403 1.00 0.00 O ATOM 0 H SER A 35 -5.245 33.568 5.720 1.00 0.00 H new ATOM 0 HA SER A 35 -2.919 32.832 7.400 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.753 34.796 5.602 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.662 35.696 6.801 1.00 0.00 H new ATOM 0 HG SER A 35 -1.371 35.903 7.099 1.00 0.00 H new ATOM 461 N PRO A 36 -4.191 33.264 9.472 1.00 0.00 N ATOM 462 CA PRO A 36 -2.998 32.420 9.585 1.00 0.00 C ATOM 463 C PRO A 36 -3.161 31.086 8.863 1.00 0.00 C ATOM 464 O PRO A 36 -4.253 30.745 8.408 1.00 0.00 O ATOM 465 CB PRO A 36 -2.862 32.198 11.094 1.00 0.00 C ATOM 466 CG PRO A 36 -4.243 32.365 11.627 1.00 0.00 C ATOM 467 CD PRO A 36 -4.902 33.397 10.755 1.00 0.00 C ATOM 0 HA PRO A 36 -2.125 32.886 9.128 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.470 31.205 11.314 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.176 32.918 11.540 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.789 31.422 11.597 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.223 32.689 12.668 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.970 33.207 10.644 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.798 34.399 11.170 1.00 0.00 H new ATOM 475 N VAL A 37 -2.069 30.335 8.763 1.00 0.00 N ATOM 476 CA VAL A 37 -2.092 29.038 8.098 1.00 0.00 C ATOM 477 C VAL A 37 -3.297 28.216 8.539 1.00 0.00 C ATOM 478 O VAL A 37 -3.569 28.056 9.729 1.00 0.00 O ATOM 479 CB VAL A 37 -0.806 28.239 8.383 1.00 0.00 C ATOM 480 CG1 VAL A 37 -1.024 26.760 8.100 1.00 0.00 C ATOM 481 CG2 VAL A 37 0.352 28.782 7.560 1.00 0.00 C ATOM 0 H VAL A 37 -1.157 30.603 9.134 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.161 29.232 7.028 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.555 28.350 9.438 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.105 26.211 8.307 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.824 26.382 8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.299 26.626 7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.252 28.206 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.114 28.702 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.521 29.828 7.816 1.00 0.00 H new ATOM 491 N PRO A 38 -4.038 27.680 7.558 1.00 0.00 N ATOM 492 CA PRO A 38 -5.227 26.863 7.820 1.00 0.00 C ATOM 493 C PRO A 38 -4.878 25.509 8.429 1.00 0.00 C ATOM 494 O PRO A 38 -3.740 25.047 8.331 1.00 0.00 O ATOM 495 CB PRO A 38 -5.845 26.681 6.431 1.00 0.00 C ATOM 496 CG PRO A 38 -4.704 26.832 5.486 1.00 0.00 C ATOM 497 CD PRO A 38 -3.773 27.829 6.117 1.00 0.00 C ATOM 0 HA PRO A 38 -5.895 27.335 8.541 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.314 25.702 6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.618 27.426 6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.202 25.878 5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.047 27.181 4.512 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.732 27.615 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.978 28.843 5.774 1.00 0.00 H new ATOM 505 N THR A 39 -5.863 24.877 9.058 1.00 0.00 N ATOM 506 CA THR A 39 -5.659 23.576 9.684 1.00 0.00 C ATOM 507 C THR A 39 -6.031 22.444 8.733 1.00 0.00 C ATOM 508 O THR A 39 -7.186 22.318 8.325 1.00 0.00 O ATOM 509 CB THR A 39 -6.487 23.438 10.976 1.00 0.00 C ATOM 510 OG1 THR A 39 -6.262 24.570 11.825 1.00 0.00 O ATOM 511 CG2 THR A 39 -6.123 22.161 11.718 1.00 0.00 C ATOM 0 H THR A 39 -6.810 25.244 9.148 1.00 0.00 H new ATOM 0 HA THR A 39 -4.600 23.507 9.931 1.00 0.00 H new ATOM 0 HB THR A 39 -7.541 23.393 10.703 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.793 24.476 12.643 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.720 22.085 12.627 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.322 21.300 11.080 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.065 22.181 11.980 1.00 0.00 H new ATOM 519 N ILE A 40 -5.046 21.623 8.384 1.00 0.00 N ATOM 520 CA ILE A 40 -5.271 20.501 7.483 1.00 0.00 C ATOM 521 C ILE A 40 -5.619 19.234 8.258 1.00 0.00 C ATOM 522 O ILE A 40 -4.874 18.810 9.142 1.00 0.00 O ATOM 523 CB ILE A 40 -4.036 20.228 6.604 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.578 21.516 5.917 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.347 19.153 5.573 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.400 21.877 4.699 1.00 0.00 C ATOM 0 H ILE A 40 -4.085 21.714 8.712 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.110 20.774 6.843 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.227 19.870 7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.625 22.336 6.633 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.534 21.409 5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.465 18.971 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.631 18.232 6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.168 19.485 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.019 22.801 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.333 21.075 3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.441 22.016 4.991 1.00 0.00 H new ATOM 538 N LEU A 41 -6.754 18.633 7.919 1.00 0.00 N ATOM 539 CA LEU A 41 -7.201 17.413 8.581 1.00 0.00 C ATOM 540 C LEU A 41 -7.438 16.298 7.567 1.00 0.00 C ATOM 541 O LEU A 41 -7.216 16.478 6.370 1.00 0.00 O ATOM 542 CB LEU A 41 -8.483 17.679 9.373 1.00 0.00 C ATOM 543 CG LEU A 41 -8.367 18.684 10.520 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.159 18.366 11.388 1.00 0.00 C ATOM 545 CD2 LEU A 41 -8.277 20.103 9.978 1.00 0.00 C ATOM 0 H LEU A 41 -7.382 18.971 7.189 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.417 17.094 9.267 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.247 18.034 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.838 16.732 9.780 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.262 18.608 11.137 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.092 19.091 12.199 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.264 17.364 11.805 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.254 18.414 10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.195 20.805 10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.399 20.193 9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.172 20.329 9.399 1.00 0.00 H new ATOM 557 N TRP A 42 -7.892 15.149 8.055 1.00 0.00 N ATOM 558 CA TRP A 42 -8.162 14.006 7.190 1.00 0.00 C ATOM 559 C TRP A 42 -9.371 13.221 7.687 1.00 0.00 C ATOM 560 O TRP A 42 -9.481 12.920 8.876 1.00 0.00 O ATOM 561 CB TRP A 42 -6.938 13.092 7.122 1.00 0.00 C ATOM 562 CG TRP A 42 -5.759 13.727 6.448 1.00 0.00 C ATOM 563 CD1 TRP A 42 -4.625 14.193 7.049 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.600 13.967 5.046 1.00 0.00 C ATOM 565 NE1 TRP A 42 -3.770 14.709 6.105 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.345 14.581 4.868 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.395 13.721 3.923 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -3.869 14.953 3.613 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -5.921 14.091 2.678 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.668 14.700 2.531 1.00 0.00 C ATOM 0 H TRP A 42 -8.081 14.984 9.044 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.382 14.382 6.191 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -6.655 12.800 8.133 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.204 12.179 6.589 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.429 14.161 8.111 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.856 15.120 6.294 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.362 13.251 4.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.904 15.424 3.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.527 13.907 1.803 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.326 14.975 1.544 1.00 0.00 H new ATOM 581 N ARG A 43 -10.275 12.892 6.770 1.00 0.00 N ATOM 582 CA ARG A 43 -11.477 12.142 7.117 1.00 0.00 C ATOM 583 C ARG A 43 -11.825 11.138 6.023 1.00 0.00 C ATOM 584 O ARG A 43 -11.850 11.476 4.839 1.00 0.00 O ATOM 585 CB ARG A 43 -12.651 13.096 7.342 1.00 0.00 C ATOM 586 CG ARG A 43 -12.434 14.070 8.488 1.00 0.00 C ATOM 587 CD ARG A 43 -13.715 14.809 8.842 1.00 0.00 C ATOM 588 NE ARG A 43 -13.451 16.035 9.590 1.00 0.00 N ATOM 589 CZ ARG A 43 -14.386 16.930 9.888 1.00 0.00 C ATOM 590 NH1 ARG A 43 -15.640 16.736 9.504 1.00 0.00 N ATOM 591 NH2 ARG A 43 -14.068 18.022 10.572 1.00 0.00 N ATOM 0 H ARG A 43 -10.198 13.133 5.782 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.281 11.595 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.831 13.660 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.550 12.512 7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.071 13.530 9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.662 14.789 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.258 15.052 7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.359 14.156 9.431 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.496 16.214 9.901 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.889 15.898 8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.356 17.425 9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.104 18.175 10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.787 18.708 10.800 1.00 0.00 H new ATOM 605 N LYS A 44 -12.094 9.900 6.426 1.00 0.00 N ATOM 606 CA LYS A 44 -12.442 8.846 5.481 1.00 0.00 C ATOM 607 C LYS A 44 -13.863 8.347 5.722 1.00 0.00 C ATOM 608 O LYS A 44 -14.204 7.924 6.827 1.00 0.00 O ATOM 609 CB LYS A 44 -11.455 7.682 5.598 1.00 0.00 C ATOM 610 CG LYS A 44 -11.550 6.934 6.917 1.00 0.00 C ATOM 611 CD LYS A 44 -10.454 5.889 7.045 1.00 0.00 C ATOM 612 CE LYS A 44 -10.874 4.563 6.428 1.00 0.00 C ATOM 613 NZ LYS A 44 -12.101 4.016 7.071 1.00 0.00 N ATOM 0 H LYS A 44 -12.077 9.603 7.402 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.387 9.262 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.632 6.983 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.441 8.063 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.478 7.641 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.525 6.452 6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.548 6.248 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.211 5.741 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.053 4.699 5.361 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.061 3.843 6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.941 3.023 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.323 4.570 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.897 4.073 6.404 1.00 0.00 H new ATOM 627 N ASP A 45 -14.687 8.399 4.681 1.00 0.00 N ATOM 628 CA ASP A 45 -16.071 7.949 4.779 1.00 0.00 C ATOM 629 C ASP A 45 -16.750 8.544 6.010 1.00 0.00 C ATOM 630 O ASP A 45 -17.542 7.879 6.676 1.00 0.00 O ATOM 631 CB ASP A 45 -16.132 6.422 4.836 1.00 0.00 C ATOM 632 CG ASP A 45 -17.424 5.872 4.265 1.00 0.00 C ATOM 633 OD1 ASP A 45 -17.634 5.998 3.041 1.00 0.00 O ATOM 634 OD2 ASP A 45 -18.226 5.315 5.044 1.00 0.00 O ATOM 0 H ASP A 45 -14.421 8.748 3.760 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.602 8.292 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.289 6.007 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.028 6.096 5.871 1.00 0.00 H new ATOM 639 N GLY A 46 -16.431 9.800 6.306 1.00 0.00 N ATOM 640 CA GLY A 46 -17.018 10.462 7.456 1.00 0.00 C ATOM 641 C GLY A 46 -16.471 9.937 8.769 1.00 0.00 C ATOM 642 O GLY A 46 -17.198 9.839 9.758 1.00 0.00 O ATOM 0 H GLY A 46 -15.777 10.371 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.829 11.534 7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.099 10.327 7.436 1.00 0.00 H new ATOM 646 N VAL A 47 -15.187 9.594 8.779 1.00 0.00 N ATOM 647 CA VAL A 47 -14.544 9.075 9.980 1.00 0.00 C ATOM 648 C VAL A 47 -13.167 9.699 10.180 1.00 0.00 C ATOM 649 O VAL A 47 -12.265 9.515 9.362 1.00 0.00 O ATOM 650 CB VAL A 47 -14.396 7.543 9.919 1.00 0.00 C ATOM 651 CG1 VAL A 47 -13.678 7.026 11.157 1.00 0.00 C ATOM 652 CG2 VAL A 47 -15.759 6.883 9.768 1.00 0.00 C ATOM 0 H VAL A 47 -14.572 9.666 7.969 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.185 9.339 10.821 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.795 7.287 9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.583 5.942 11.096 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.686 7.475 11.217 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.250 7.291 12.046 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.637 5.801 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.386 7.145 10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.232 7.230 8.849 1.00 0.00 H new ATOM 662 N LEU A 48 -13.012 10.438 11.273 1.00 0.00 N ATOM 663 CA LEU A 48 -11.744 11.090 11.582 1.00 0.00 C ATOM 664 C LEU A 48 -10.589 10.097 11.509 1.00 0.00 C ATOM 665 O LEU A 48 -10.604 9.061 12.173 1.00 0.00 O ATOM 666 CB LEU A 48 -11.800 11.724 12.973 1.00 0.00 C ATOM 667 CG LEU A 48 -12.502 13.080 13.066 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.634 14.172 12.461 1.00 0.00 C ATOM 669 CD2 LEU A 48 -13.856 13.027 12.374 1.00 0.00 C ATOM 0 H LEU A 48 -13.748 10.601 11.960 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.575 11.871 10.840 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.303 11.030 13.646 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.780 11.840 13.339 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.663 13.314 14.118 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.149 15.130 12.536 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.688 14.226 13.000 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.441 13.945 11.413 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.342 14.000 12.450 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.718 12.771 11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.480 12.272 12.852 1.00 0.00 H new ATOM 681 N VAL A 49 -9.587 10.422 10.698 1.00 0.00 N ATOM 682 CA VAL A 49 -8.421 9.560 10.540 1.00 0.00 C ATOM 683 C VAL A 49 -7.820 9.197 11.893 1.00 0.00 C ATOM 684 O VAL A 49 -7.783 10.019 12.809 1.00 0.00 O ATOM 685 CB VAL A 49 -7.340 10.232 9.674 1.00 0.00 C ATOM 686 CG1 VAL A 49 -5.998 9.540 9.862 1.00 0.00 C ATOM 687 CG2 VAL A 49 -7.751 10.226 8.209 1.00 0.00 C ATOM 0 H VAL A 49 -9.559 11.276 10.140 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.762 8.653 10.042 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.235 11.269 9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.247 10.029 9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.701 9.601 10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.084 8.493 9.570 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.975 10.705 7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.885 9.198 7.873 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.688 10.771 8.092 1.00 0.00 H new ATOM 697 N SER A 50 -7.348 7.960 12.012 1.00 0.00 N ATOM 698 CA SER A 50 -6.750 7.486 13.254 1.00 0.00 C ATOM 699 C SER A 50 -5.227 7.548 13.183 1.00 0.00 C ATOM 700 O SER A 50 -4.573 6.589 12.772 1.00 0.00 O ATOM 701 CB SER A 50 -7.200 6.053 13.547 1.00 0.00 C ATOM 702 OG SER A 50 -8.383 6.040 14.328 1.00 0.00 O ATOM 0 H SER A 50 -7.368 7.268 11.263 1.00 0.00 H new ATOM 0 HA SER A 50 -7.085 8.137 14.061 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.373 5.524 12.610 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.408 5.520 14.072 1.00 0.00 H new ATOM 0 HG SER A 50 -8.651 5.113 14.500 1.00 0.00 H new ATOM 708 N THR A 51 -4.668 8.684 13.587 1.00 0.00 N ATOM 709 CA THR A 51 -3.223 8.874 13.568 1.00 0.00 C ATOM 710 C THR A 51 -2.576 8.290 14.819 1.00 0.00 C ATOM 711 O THR A 51 -1.492 8.711 15.221 1.00 0.00 O ATOM 712 CB THR A 51 -2.854 10.366 13.462 1.00 0.00 C ATOM 713 OG1 THR A 51 -3.875 11.074 12.751 1.00 0.00 O ATOM 714 CG2 THR A 51 -1.519 10.544 12.754 1.00 0.00 C ATOM 0 H THR A 51 -5.194 9.487 13.932 1.00 0.00 H new ATOM 0 HA THR A 51 -2.847 8.351 12.689 1.00 0.00 H new ATOM 0 HB THR A 51 -2.769 10.769 14.471 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.634 12.022 12.690 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.279 11.605 12.691 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.739 10.028 13.314 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.581 10.126 11.749 1.00 0.00 H new ATOM 722 N GLN A 52 -3.247 7.318 15.428 1.00 0.00 N ATOM 723 CA GLN A 52 -2.736 6.676 16.633 1.00 0.00 C ATOM 724 C GLN A 52 -1.917 5.437 16.285 1.00 0.00 C ATOM 725 O GLN A 52 -1.228 4.876 17.137 1.00 0.00 O ATOM 726 CB GLN A 52 -3.889 6.294 17.562 1.00 0.00 C ATOM 727 CG GLN A 52 -4.870 5.311 16.943 1.00 0.00 C ATOM 728 CD GLN A 52 -5.819 4.714 17.962 1.00 0.00 C ATOM 729 OE1 GLN A 52 -6.041 5.284 19.031 1.00 0.00 O ATOM 730 NE2 GLN A 52 -6.387 3.558 17.636 1.00 0.00 N ATOM 0 H GLN A 52 -4.146 6.958 15.107 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.087 7.387 17.144 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.481 5.860 18.475 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.426 7.197 17.851 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.446 5.818 16.169 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.316 4.509 16.455 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.175 3.120 16.739 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.035 3.108 18.282 1.00 0.00 H new ATOM 739 N ASP A 53 -1.997 5.016 15.027 1.00 0.00 N ATOM 740 CA ASP A 53 -1.263 3.843 14.566 1.00 0.00 C ATOM 741 C ASP A 53 0.038 4.252 13.882 1.00 0.00 C ATOM 742 O ASP A 53 0.054 5.150 13.041 1.00 0.00 O ATOM 743 CB ASP A 53 -2.123 3.023 13.604 1.00 0.00 C ATOM 744 CG ASP A 53 -1.795 1.543 13.653 1.00 0.00 C ATOM 745 OD1 ASP A 53 -2.060 0.912 14.697 1.00 0.00 O ATOM 746 OD2 ASP A 53 -1.273 1.017 12.647 1.00 0.00 O ATOM 0 H ASP A 53 -2.562 5.469 14.309 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.020 3.231 15.435 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.175 3.167 13.849 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.979 3.391 12.588 1.00 0.00 H new ATOM 751 N SER A 54 1.129 3.586 14.251 1.00 0.00 N ATOM 752 CA SER A 54 2.436 3.883 13.677 1.00 0.00 C ATOM 753 C SER A 54 2.358 3.951 12.154 1.00 0.00 C ATOM 754 O SER A 54 3.130 4.664 11.514 1.00 0.00 O ATOM 755 CB SER A 54 3.455 2.823 14.100 1.00 0.00 C ATOM 756 OG SER A 54 3.579 2.769 15.510 1.00 0.00 O ATOM 0 H SER A 54 1.133 2.838 14.944 1.00 0.00 H new ATOM 0 HA SER A 54 2.757 4.855 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.149 1.848 13.721 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.424 3.048 13.655 1.00 0.00 H new ATOM 0 HG SER A 54 4.235 2.083 15.755 1.00 0.00 H new ATOM 762 N ARG A 55 1.420 3.203 11.582 1.00 0.00 N ATOM 763 CA ARG A 55 1.241 3.177 10.136 1.00 0.00 C ATOM 764 C ARG A 55 0.865 4.558 9.609 1.00 0.00 C ATOM 765 O ARG A 55 1.313 4.968 8.538 1.00 0.00 O ATOM 766 CB ARG A 55 0.162 2.162 9.752 1.00 0.00 C ATOM 767 CG ARG A 55 0.524 0.728 10.103 1.00 0.00 C ATOM 768 CD ARG A 55 -0.633 -0.221 9.829 1.00 0.00 C ATOM 769 NE ARG A 55 -1.898 0.295 10.346 1.00 0.00 N ATOM 770 CZ ARG A 55 -2.684 1.126 9.671 1.00 0.00 C ATOM 771 NH1 ARG A 55 -2.337 1.533 8.457 1.00 0.00 N ATOM 772 NH2 ARG A 55 -3.820 1.551 10.209 1.00 0.00 N ATOM 0 H ARG A 55 0.773 2.607 12.098 1.00 0.00 H new ATOM 0 HA ARG A 55 2.187 2.880 9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.769 2.426 10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.023 2.229 8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.394 0.419 9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.803 0.669 11.155 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.720 -0.386 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.423 -1.189 10.284 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.194 0.001 11.277 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.465 1.208 8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.942 2.171 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.090 1.240 11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.423 2.189 9.690 1.00 0.00 H new ATOM 786 N ILE A 56 0.040 5.271 10.368 1.00 0.00 N ATOM 787 CA ILE A 56 -0.396 6.606 9.978 1.00 0.00 C ATOM 788 C ILE A 56 0.321 7.678 10.792 1.00 0.00 C ATOM 789 O ILE A 56 0.300 7.658 12.023 1.00 0.00 O ATOM 790 CB ILE A 56 -1.917 6.776 10.154 1.00 0.00 C ATOM 791 CG1 ILE A 56 -2.668 5.753 9.300 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.337 8.191 9.788 1.00 0.00 C ATOM 793 CD1 ILE A 56 -2.919 4.441 10.010 1.00 0.00 C ATOM 0 H ILE A 56 -0.340 4.946 11.257 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.145 6.724 8.924 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.169 6.603 11.200 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.623 6.179 8.993 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.097 5.562 8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.414 8.296 9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.823 8.902 10.435 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.075 8.391 8.749 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.455 3.764 9.345 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.967 3.993 10.293 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.516 4.620 10.904 1.00 0.00 H new ATOM 805 N LYS A 57 0.955 8.615 10.096 1.00 0.00 N ATOM 806 CA LYS A 57 1.678 9.699 10.752 1.00 0.00 C ATOM 807 C LYS A 57 1.624 10.973 9.915 1.00 0.00 C ATOM 808 O LYS A 57 1.280 10.936 8.735 1.00 0.00 O ATOM 809 CB LYS A 57 3.134 9.296 10.995 1.00 0.00 C ATOM 810 CG LYS A 57 3.937 10.342 11.747 1.00 0.00 C ATOM 811 CD LYS A 57 5.332 9.840 12.082 1.00 0.00 C ATOM 812 CE LYS A 57 6.315 10.989 12.242 1.00 0.00 C ATOM 813 NZ LYS A 57 7.570 10.556 12.917 1.00 0.00 N ATOM 0 H LYS A 57 0.983 8.646 9.077 1.00 0.00 H new ATOM 0 HA LYS A 57 1.198 9.895 11.711 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.155 8.362 11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.614 9.102 10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.010 11.248 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.416 10.611 12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.299 9.258 13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.678 9.171 11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.554 11.402 11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.849 11.788 12.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.214 11.368 13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.346 10.186 13.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.028 9.812 12.353 1.00 0.00 H new ATOM 827 N GLN A 58 1.969 12.097 10.535 1.00 0.00 N ATOM 828 CA GLN A 58 1.961 13.382 9.845 1.00 0.00 C ATOM 829 C GLN A 58 3.380 13.911 9.664 1.00 0.00 C ATOM 830 O GLN A 58 3.971 14.465 10.592 1.00 0.00 O ATOM 831 CB GLN A 58 1.122 14.397 10.623 1.00 0.00 C ATOM 832 CG GLN A 58 -0.343 14.413 10.217 1.00 0.00 C ATOM 833 CD GLN A 58 -1.012 15.744 10.499 1.00 0.00 C ATOM 834 OE1 GLN A 58 -1.353 16.050 11.642 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.205 16.543 9.456 1.00 0.00 N ATOM 0 H GLN A 58 2.257 12.144 11.512 1.00 0.00 H new ATOM 0 HA GLN A 58 1.519 13.234 8.860 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.193 14.175 11.688 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.542 15.392 10.476 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.424 14.188 9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.873 13.624 10.751 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.906 16.249 8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.652 17.451 9.585 1.00 0.00 H new ATOM 844 N LEU A 59 3.922 13.738 8.463 1.00 0.00 N ATOM 845 CA LEU A 59 5.273 14.198 8.159 1.00 0.00 C ATOM 846 C LEU A 59 5.324 15.720 8.081 1.00 0.00 C ATOM 847 O LEU A 59 6.216 16.350 8.649 1.00 0.00 O ATOM 848 CB LEU A 59 5.755 13.591 6.841 1.00 0.00 C ATOM 849 CG LEU A 59 5.612 12.074 6.708 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.848 11.396 8.049 1.00 0.00 C ATOM 851 CD2 LEU A 59 4.238 11.714 6.160 1.00 0.00 C ATOM 0 H LEU A 59 3.447 13.283 7.684 1.00 0.00 H new ATOM 0 HA LEU A 59 5.932 13.872 8.964 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.205 14.060 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.805 13.850 6.708 1.00 0.00 H new ATOM 0 HG LEU A 59 6.366 11.717 6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.742 10.317 7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.853 11.627 8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.118 11.758 8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.154 10.631 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.468 12.084 6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.107 12.169 5.178 1.00 0.00 H new ATOM 863 N GLU A 60 4.361 16.305 7.375 1.00 0.00 N ATOM 864 CA GLU A 60 4.297 17.753 7.224 1.00 0.00 C ATOM 865 C GLU A 60 2.912 18.278 7.590 1.00 0.00 C ATOM 866 O GLU A 60 2.026 17.512 7.965 1.00 0.00 O ATOM 867 CB GLU A 60 4.644 18.155 5.789 1.00 0.00 C ATOM 868 CG GLU A 60 5.930 17.528 5.276 1.00 0.00 C ATOM 869 CD GLU A 60 7.169 18.167 5.872 1.00 0.00 C ATOM 870 OE1 GLU A 60 7.417 17.964 7.079 1.00 0.00 O ATOM 871 OE2 GLU A 60 7.889 18.869 5.133 1.00 0.00 O ATOM 0 H GLU A 60 3.615 15.798 6.899 1.00 0.00 H new ATOM 0 HA GLU A 60 5.025 18.195 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.823 17.869 5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.732 19.240 5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.928 16.463 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.966 17.618 4.190 1.00 0.00 H new ATOM 878 N ASN A 61 2.734 19.590 7.478 1.00 0.00 N ATOM 879 CA ASN A 61 1.457 20.219 7.798 1.00 0.00 C ATOM 880 C ASN A 61 0.294 19.392 7.259 1.00 0.00 C ATOM 881 O ASN A 61 -0.418 18.734 8.016 1.00 0.00 O ATOM 882 CB ASN A 61 1.403 21.634 7.220 1.00 0.00 C ATOM 883 CG ASN A 61 2.224 21.773 5.953 1.00 0.00 C ATOM 884 OD1 ASN A 61 3.412 21.452 5.931 1.00 0.00 O ATOM 885 ND2 ASN A 61 1.593 22.255 4.889 1.00 0.00 N ATOM 0 H ASN A 61 3.458 20.239 7.168 1.00 0.00 H new ATOM 0 HA ASN A 61 1.368 20.274 8.883 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.367 21.898 7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.767 22.342 7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.094 22.372 4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.607 22.508 4.952 1.00 0.00 H new ATOM 892 N GLY A 62 0.107 19.431 5.943 1.00 0.00 N ATOM 893 CA GLY A 62 -0.970 18.681 5.324 1.00 0.00 C ATOM 894 C GLY A 62 -0.469 17.482 4.545 1.00 0.00 C ATOM 895 O GLY A 62 -0.777 17.327 3.363 1.00 0.00 O ATOM 0 H GLY A 62 0.682 19.969 5.295 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.664 18.345 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.528 19.337 4.656 1.00 0.00 H new ATOM 899 N VAL A 63 0.307 16.630 5.207 1.00 0.00 N ATOM 900 CA VAL A 63 0.853 15.438 4.569 1.00 0.00 C ATOM 901 C VAL A 63 0.694 14.214 5.463 1.00 0.00 C ATOM 902 O VAL A 63 1.406 14.059 6.456 1.00 0.00 O ATOM 903 CB VAL A 63 2.344 15.618 4.225 1.00 0.00 C ATOM 904 CG1 VAL A 63 2.882 14.383 3.520 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.547 16.861 3.371 1.00 0.00 C ATOM 0 H VAL A 63 0.572 16.743 6.185 1.00 0.00 H new ATOM 0 HA VAL A 63 0.291 15.287 3.648 1.00 0.00 H new ATOM 0 HB VAL A 63 2.900 15.748 5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.936 14.529 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.772 13.516 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.324 14.218 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.606 16.973 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.979 16.763 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.201 17.738 3.918 1.00 0.00 H new ATOM 915 N LEU A 64 -0.246 13.345 5.106 1.00 0.00 N ATOM 916 CA LEU A 64 -0.499 12.133 5.876 1.00 0.00 C ATOM 917 C LEU A 64 -0.260 10.888 5.027 1.00 0.00 C ATOM 918 O LEU A 64 -0.915 10.689 4.003 1.00 0.00 O ATOM 919 CB LEU A 64 -1.934 12.133 6.407 1.00 0.00 C ATOM 920 CG LEU A 64 -2.328 10.939 7.277 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.032 11.223 8.741 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.799 10.601 7.084 1.00 0.00 C ATOM 0 H LEU A 64 -0.845 13.458 4.288 1.00 0.00 H new ATOM 0 HA LEU A 64 0.194 12.116 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.086 13.044 6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.615 12.178 5.557 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.734 10.078 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.319 10.362 9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.966 11.414 8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.598 12.097 9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.062 9.749 7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.409 11.460 7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.981 10.352 6.039 1.00 0.00 H new ATOM 934 N GLN A 65 0.679 10.054 5.460 1.00 0.00 N ATOM 935 CA GLN A 65 1.003 8.828 4.739 1.00 0.00 C ATOM 936 C GLN A 65 0.578 7.600 5.537 1.00 0.00 C ATOM 937 O GLN A 65 0.898 7.474 6.719 1.00 0.00 O ATOM 938 CB GLN A 65 2.503 8.766 4.445 1.00 0.00 C ATOM 939 CG GLN A 65 2.908 7.566 3.604 1.00 0.00 C ATOM 940 CD GLN A 65 4.270 7.738 2.960 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.373 8.072 1.779 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.324 7.512 3.734 1.00 0.00 N ATOM 0 H GLN A 65 1.229 10.204 6.306 1.00 0.00 H new ATOM 0 HA GLN A 65 0.455 8.834 3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.802 9.678 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.049 8.739 5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.917 6.674 4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.161 7.403 2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.192 7.237 4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.266 7.613 3.356 1.00 0.00 H new ATOM 951 N ILE A 66 -0.144 6.697 4.882 1.00 0.00 N ATOM 952 CA ILE A 66 -0.613 5.478 5.531 1.00 0.00 C ATOM 953 C ILE A 66 0.030 4.243 4.909 1.00 0.00 C ATOM 954 O ILE A 66 -0.224 3.916 3.750 1.00 0.00 O ATOM 955 CB ILE A 66 -2.144 5.346 5.442 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.820 6.586 6.031 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.610 4.089 6.162 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.972 7.719 5.040 1.00 0.00 C ATOM 0 H ILE A 66 -0.417 6.786 3.903 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.324 5.547 6.580 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.427 5.266 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.805 6.309 6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.239 6.936 6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.695 4.010 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.151 3.214 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.319 4.141 7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.459 8.565 5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.989 8.023 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.578 7.387 4.197 1.00 0.00 H new ATOM 970 N ARG A 67 0.862 3.560 5.688 1.00 0.00 N ATOM 971 CA ARG A 67 1.541 2.360 5.215 1.00 0.00 C ATOM 972 C ARG A 67 0.675 1.123 5.435 1.00 0.00 C ATOM 973 O ARG A 67 -0.233 1.128 6.265 1.00 0.00 O ATOM 974 CB ARG A 67 2.882 2.191 5.930 1.00 0.00 C ATOM 975 CG ARG A 67 3.902 3.261 5.574 1.00 0.00 C ATOM 976 CD ARG A 67 3.806 4.455 6.511 1.00 0.00 C ATOM 977 NE ARG A 67 4.656 4.297 7.688 1.00 0.00 N ATOM 978 CZ ARG A 67 5.979 4.410 7.659 1.00 0.00 C ATOM 979 NH1 ARG A 67 6.600 4.679 6.519 1.00 0.00 N ATOM 980 NH2 ARG A 67 6.684 4.253 8.772 1.00 0.00 N ATOM 0 H ARG A 67 1.082 3.817 6.650 1.00 0.00 H new ATOM 0 HA ARG A 67 1.720 2.472 4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.714 2.205 7.007 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.294 1.212 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.906 2.839 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.743 3.589 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.093 5.360 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.771 4.586 6.826 1.00 0.00 H new ATOM 0 HE ARG A 67 4.209 4.089 8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.062 4.800 5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.616 4.765 6.500 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.210 4.045 9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.700 4.340 8.749 1.00 0.00 H new ATOM 994 N TYR A 68 0.963 0.065 4.685 1.00 0.00 N ATOM 995 CA TYR A 68 0.209 -1.178 4.796 1.00 0.00 C ATOM 996 C TYR A 68 -1.274 -0.941 4.531 1.00 0.00 C ATOM 997 O TYR A 68 -2.126 -1.306 5.340 1.00 0.00 O ATOM 998 CB TYR A 68 0.400 -1.793 6.183 1.00 0.00 C ATOM 999 CG TYR A 68 1.800 -1.632 6.730 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.180 -0.469 7.389 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.744 -2.641 6.587 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.459 -0.317 7.890 1.00 0.00 C ATOM 1003 CE2 TYR A 68 4.024 -2.498 7.085 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.377 -1.334 7.736 1.00 0.00 C ATOM 1005 OH TYR A 68 5.652 -1.188 8.233 1.00 0.00 O ATOM 0 H TYR A 68 1.713 0.043 3.994 1.00 0.00 H new ATOM 0 HA TYR A 68 0.587 -1.871 4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.306 -1.334 6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.157 -2.855 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.464 0.330 7.512 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.472 -3.553 6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.738 0.594 8.399 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.745 -3.293 6.965 1.00 0.00 H new ATOM 0 HH TYR A 68 6.172 -1.996 8.041 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.575 -0.327 3.391 1.00 0.00 N ATOM 1016 CA ALA A 69 -2.955 -0.043 3.017 1.00 0.00 C ATOM 1017 C ALA A 69 -3.771 -1.327 2.913 1.00 0.00 C ATOM 1018 O ALA A 69 -3.657 -2.070 1.938 1.00 0.00 O ATOM 1019 CB ALA A 69 -2.998 0.720 1.702 1.00 0.00 C ATOM 0 H ALA A 69 -0.881 -0.017 2.711 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.398 0.575 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.034 0.926 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.457 1.660 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.533 0.121 0.919 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.593 -1.584 3.925 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.429 -2.778 3.947 1.00 0.00 C ATOM 1027 C LYS A 70 -6.687 -2.577 3.109 1.00 0.00 C ATOM 1028 O LYS A 70 -7.093 -1.446 2.841 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.813 -3.130 5.387 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.639 -3.113 6.351 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.089 -2.819 7.772 1.00 0.00 C ATOM 1032 CE LYS A 70 -3.906 -2.728 8.723 1.00 0.00 C ATOM 1033 NZ LYS A 70 -4.342 -2.657 10.145 1.00 0.00 N ATOM 0 H LYS A 70 -4.698 -0.981 4.741 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.856 -3.600 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.568 -2.426 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.269 -4.120 5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.129 -4.076 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.917 -2.360 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.646 -1.882 7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.769 -3.602 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.261 -3.595 8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.312 -1.847 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.507 -2.596 10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.937 -1.816 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.887 -3.510 10.384 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.302 -3.682 2.699 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.516 -3.627 1.892 1.00 0.00 C ATOM 1049 C LEU A 71 -9.639 -2.922 2.646 1.00 0.00 C ATOM 1050 O LEU A 71 -10.564 -2.383 2.039 1.00 0.00 O ATOM 1051 CB LEU A 71 -8.957 -5.038 1.501 1.00 0.00 C ATOM 1052 CG LEU A 71 -7.975 -5.834 0.640 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.228 -7.327 0.782 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.078 -5.409 -0.817 1.00 0.00 C ATOM 0 H LEU A 71 -6.980 -4.626 2.912 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.296 -3.058 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.150 -5.603 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.903 -4.966 0.965 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.964 -5.624 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.520 -7.877 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.102 -7.620 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.244 -7.556 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.372 -5.986 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.091 -5.589 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.845 -4.348 -0.904 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.550 -2.928 3.972 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.564 -2.284 4.787 1.00 0.00 C ATOM 1068 C GLY A 72 -10.439 -0.773 4.781 1.00 0.00 C ATOM 1069 O GLY A 72 -11.363 -0.066 5.184 1.00 0.00 O ATOM 0 H GLY A 72 -8.794 -3.367 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.552 -2.565 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.487 -2.648 5.812 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.294 -0.277 4.324 1.00 0.00 N ATOM 1074 CA ASP A 73 -9.052 1.160 4.268 1.00 0.00 C ATOM 1075 C ASP A 73 -9.722 1.776 3.045 1.00 0.00 C ATOM 1076 O ASP A 73 -10.038 2.967 3.030 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.549 1.444 4.239 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.920 1.376 5.617 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -7.018 0.311 6.262 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -6.331 2.388 6.051 1.00 0.00 O ATOM 0 H ASP A 73 -8.519 -0.849 3.987 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.482 1.612 5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.059 0.724 3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.377 2.432 3.813 1.00 0.00 H new ATOM 1085 N THR A 74 -9.937 0.959 2.019 1.00 0.00 N ATOM 1086 CA THR A 74 -10.568 1.424 0.790 1.00 0.00 C ATOM 1087 C THR A 74 -11.762 2.323 1.091 1.00 0.00 C ATOM 1088 O THR A 74 -12.872 1.842 1.314 1.00 0.00 O ATOM 1089 CB THR A 74 -11.035 0.245 -0.083 1.00 0.00 C ATOM 1090 OG1 THR A 74 -9.932 -0.624 -0.365 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.640 0.743 -1.387 1.00 0.00 C ATOM 0 H THR A 74 -9.683 -0.029 2.015 1.00 0.00 H new ATOM 0 HA THR A 74 -9.816 1.994 0.245 1.00 0.00 H new ATOM 0 HB THR A 74 -11.799 -0.305 0.467 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.896 -1.336 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.963 -0.108 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.498 1.380 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.894 1.314 -1.939 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.526 3.632 1.095 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.593 4.577 1.370 1.00 0.00 C ATOM 1101 C GLY A 75 -12.443 5.864 0.584 1.00 0.00 C ATOM 1102 O GLY A 75 -11.874 5.870 -0.508 1.00 0.00 O ATOM 0 H GLY A 75 -10.616 4.054 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.552 4.118 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.607 4.805 2.436 1.00 0.00 H new ATOM 1106 N ARG A 76 -12.955 6.958 1.140 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.878 8.257 0.482 1.00 0.00 C ATOM 1108 C ARG A 76 -12.310 9.311 1.427 1.00 0.00 C ATOM 1109 O ARG A 76 -13.003 9.796 2.322 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.261 8.687 -0.008 1.00 0.00 C ATOM 1111 CG ARG A 76 -14.260 10.017 -0.743 1.00 0.00 C ATOM 1112 CD ARG A 76 -15.596 10.280 -1.421 1.00 0.00 C ATOM 1113 NE ARG A 76 -15.488 11.291 -2.470 1.00 0.00 N ATOM 1114 CZ ARG A 76 -16.517 12.008 -2.908 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -17.724 11.827 -2.390 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -16.339 12.909 -3.865 1.00 0.00 N ATOM 0 H ARG A 76 -13.427 6.970 2.044 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.210 8.164 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.659 7.917 -0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.935 8.754 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.042 10.822 -0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.465 10.021 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.974 9.352 -1.850 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.322 10.606 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.573 11.455 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.864 11.136 -1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.512 12.379 -2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.412 13.052 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.129 13.459 -4.201 1.00 0.00 H new ATOM 1130 N TYR A 77 -11.045 9.661 1.223 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.383 10.656 2.059 1.00 0.00 C ATOM 1132 C TYR A 77 -10.687 12.069 1.569 1.00 0.00 C ATOM 1133 O TYR A 77 -10.837 12.305 0.370 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.871 10.422 2.066 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.467 9.095 2.669 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.396 7.948 1.887 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -8.157 8.988 4.019 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.028 6.734 2.433 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.787 7.778 4.573 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.724 6.654 3.776 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.357 5.446 4.324 1.00 0.00 O ATOM 0 H TYR A 77 -10.457 9.271 0.486 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.765 10.552 3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.499 10.475 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.390 11.226 2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.633 8.007 0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.206 9.866 4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.979 5.852 1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.548 7.712 5.624 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.786 4.960 3.693 1.00 0.00 H new ATOM 1151 N THR A 78 -10.777 13.007 2.507 1.00 0.00 N ATOM 1152 CA THR A 78 -11.064 14.396 2.173 1.00 0.00 C ATOM 1153 C THR A 78 -10.255 15.349 3.045 1.00 0.00 C ATOM 1154 O THR A 78 -9.978 15.059 4.209 1.00 0.00 O ATOM 1155 CB THR A 78 -12.562 14.715 2.337 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.310 14.118 1.272 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.797 16.218 2.347 1.00 0.00 C ATOM 0 H THR A 78 -10.655 12.829 3.504 1.00 0.00 H new ATOM 0 HA THR A 78 -10.783 14.535 1.129 1.00 0.00 H new ATOM 0 HB THR A 78 -12.896 14.304 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.261 14.324 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.862 16.419 2.464 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.250 16.666 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.448 16.647 1.408 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.877 16.489 2.475 1.00 0.00 N ATOM 1166 CA CYS A 79 -9.100 17.486 3.200 1.00 0.00 C ATOM 1167 C CYS A 79 -10.009 18.558 3.795 1.00 0.00 C ATOM 1168 O CYS A 79 -11.047 18.892 3.224 1.00 0.00 O ATOM 1169 CB CYS A 79 -8.070 18.133 2.272 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.146 19.508 3.030 1.00 0.00 S ATOM 0 H CYS A 79 -10.097 16.745 1.512 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.580 16.983 4.015 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.363 17.371 1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.579 18.499 1.381 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.610 19.091 4.945 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.388 20.125 5.617 1.00 0.00 C ATOM 1177 C ILE A 80 -9.497 21.279 6.064 1.00 0.00 C ATOM 1178 O ILE A 80 -8.472 21.070 6.713 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.134 19.563 6.841 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -11.779 18.218 6.499 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.184 20.553 7.322 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -10.857 17.036 6.704 1.00 0.00 C ATOM 0 H ILE A 80 -8.754 18.824 5.431 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.118 20.491 4.894 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.415 19.406 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.669 18.085 7.113 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.108 18.236 5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.703 20.141 8.188 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.701 21.490 7.600 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.902 20.739 6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.381 16.116 6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.978 17.146 6.069 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.548 16.993 7.748 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.896 22.498 5.715 1.00 0.00 N ATOM 1195 CA ALA A 81 -9.137 23.686 6.084 1.00 0.00 C ATOM 1196 C ALA A 81 -10.005 24.676 6.852 1.00 0.00 C ATOM 1197 O ALA A 81 -10.871 25.335 6.276 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.552 24.345 4.844 1.00 0.00 C ATOM 0 H ALA A 81 -10.741 22.688 5.177 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.321 23.377 6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.988 25.231 5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.890 23.643 4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.359 24.634 4.170 1.00 0.00 H new ATOM 1204 N SER A 82 -9.769 24.776 8.156 1.00 0.00 N ATOM 1205 CA SER A 82 -10.534 25.683 9.005 1.00 0.00 C ATOM 1206 C SER A 82 -9.779 26.991 9.219 1.00 0.00 C ATOM 1207 O SER A 82 -8.588 26.991 9.532 1.00 0.00 O ATOM 1208 CB SER A 82 -10.831 25.025 10.354 1.00 0.00 C ATOM 1209 OG SER A 82 -11.193 25.992 11.324 1.00 0.00 O ATOM 0 H SER A 82 -9.054 24.240 8.648 1.00 0.00 H new ATOM 0 HA SER A 82 -11.476 25.905 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.638 24.301 10.239 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.954 24.474 10.694 1.00 0.00 H new ATOM 0 HG SER A 82 -11.379 25.546 12.177 1.00 0.00 H new ATOM 1215 N THR A 83 -10.481 28.107 9.049 1.00 0.00 N ATOM 1216 CA THR A 83 -9.879 29.423 9.222 1.00 0.00 C ATOM 1217 C THR A 83 -10.872 30.405 9.834 1.00 0.00 C ATOM 1218 O THR A 83 -12.085 30.201 9.800 1.00 0.00 O ATOM 1219 CB THR A 83 -9.373 29.990 7.882 1.00 0.00 C ATOM 1220 OG1 THR A 83 -10.177 29.496 6.806 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.918 29.612 7.650 1.00 0.00 C ATOM 0 H THR A 83 -11.468 28.125 8.791 1.00 0.00 H new ATOM 0 HA THR A 83 -9.033 29.297 9.897 1.00 0.00 H new ATOM 0 HB THR A 83 -9.448 31.077 7.921 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.125 29.579 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.583 30.023 6.698 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.304 30.015 8.456 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.823 28.526 7.630 1.00 0.00 H new ATOM 1229 N PRO A 84 -10.346 31.498 10.407 1.00 0.00 N ATOM 1230 CA PRO A 84 -11.170 32.535 11.037 1.00 0.00 C ATOM 1231 C PRO A 84 -11.973 33.336 10.018 1.00 0.00 C ATOM 1232 O PRO A 84 -12.736 34.231 10.380 1.00 0.00 O ATOM 1233 CB PRO A 84 -10.141 33.432 11.731 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.883 33.233 10.958 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.909 31.806 10.484 1.00 0.00 C ATOM 0 HA PRO A 84 -11.912 32.111 11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.453 34.476 11.718 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.012 33.151 12.776 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.829 33.923 10.116 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.008 33.421 11.581 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.422 31.696 9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.393 31.143 11.178 1.00 0.00 H new ATOM 1243 N SER A 85 -11.797 33.007 8.742 1.00 0.00 N ATOM 1244 CA SER A 85 -12.503 33.698 7.670 1.00 0.00 C ATOM 1245 C SER A 85 -13.487 32.761 6.975 1.00 0.00 C ATOM 1246 O SER A 85 -14.536 33.189 6.496 1.00 0.00 O ATOM 1247 CB SER A 85 -11.508 34.256 6.651 1.00 0.00 C ATOM 1248 OG SER A 85 -10.739 35.307 7.212 1.00 0.00 O ATOM 0 H SER A 85 -11.171 32.266 8.426 1.00 0.00 H new ATOM 0 HA SER A 85 -13.062 34.523 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.847 33.459 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.045 34.621 5.776 1.00 0.00 H new ATOM 0 HG SER A 85 -10.109 35.646 6.542 1.00 0.00 H new ATOM 1254 N GLY A 86 -13.139 31.479 6.925 1.00 0.00 N ATOM 1255 CA GLY A 86 -14.001 30.501 6.288 1.00 0.00 C ATOM 1256 C GLY A 86 -13.436 29.096 6.361 1.00 0.00 C ATOM 1257 O GLY A 86 -12.580 28.807 7.196 1.00 0.00 O ATOM 0 H GLY A 86 -12.276 31.100 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.981 30.520 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.148 30.776 5.244 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.918 28.220 5.484 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.457 26.837 5.456 1.00 0.00 C ATOM 1263 C GLU A 87 -13.672 26.220 4.076 1.00 0.00 C ATOM 1264 O GLU A 87 -14.591 26.600 3.351 1.00 0.00 O ATOM 1265 CB GLU A 87 -14.188 26.010 6.515 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.571 24.641 6.752 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.561 23.647 7.326 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.430 23.169 6.567 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.467 23.346 8.535 1.00 0.00 O ATOM 0 H GLU A 87 -14.626 28.443 4.785 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.389 26.833 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.196 26.563 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.227 25.883 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.179 24.255 5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.726 24.740 7.433 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.816 25.267 3.721 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.912 24.597 2.430 1.00 0.00 C ATOM 1278 C ALA A 88 -12.473 23.141 2.534 1.00 0.00 C ATOM 1279 O ALA A 88 -11.790 22.753 3.482 1.00 0.00 O ATOM 1280 CB ALA A 88 -12.077 25.330 1.391 1.00 0.00 C ATOM 0 H ALA A 88 -12.049 24.942 4.309 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.956 24.613 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.158 24.818 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.440 26.353 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.034 25.345 1.707 1.00 0.00 H new ATOM 1286 N THR A 89 -12.869 22.336 1.552 1.00 0.00 N ATOM 1287 CA THR A 89 -12.517 20.922 1.534 1.00 0.00 C ATOM 1288 C THR A 89 -12.122 20.472 0.132 1.00 0.00 C ATOM 1289 O THR A 89 -12.313 21.201 -0.841 1.00 0.00 O ATOM 1290 CB THR A 89 -13.682 20.047 2.033 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.831 20.239 1.199 1.00 0.00 O ATOM 1292 CG2 THR A 89 -14.033 20.384 3.474 1.00 0.00 C ATOM 0 H THR A 89 -13.434 22.640 0.759 1.00 0.00 H new ATOM 0 HA THR A 89 -11.667 20.799 2.205 1.00 0.00 H new ATOM 0 HB THR A 89 -13.370 19.004 1.986 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.567 19.678 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.858 19.753 3.804 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.165 20.209 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.327 21.431 3.541 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.572 19.267 0.036 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.151 18.719 -1.248 1.00 0.00 C ATOM 1302 C TRP A 90 -11.744 17.332 -1.469 1.00 0.00 C ATOM 1303 O TRP A 90 -12.148 16.661 -0.519 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.625 18.653 -1.322 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.109 18.350 -2.697 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.746 17.127 -3.185 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -8.898 19.287 -3.758 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.322 17.248 -4.486 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.406 18.562 -4.862 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.078 20.667 -3.885 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.092 19.173 -6.073 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -8.765 21.272 -5.088 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.278 20.526 -6.169 1.00 0.00 C ATOM 0 H TRP A 90 -11.407 18.651 0.832 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.517 19.379 -2.034 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.211 19.604 -0.988 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.268 17.889 -0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.786 16.201 -2.630 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -7.997 16.483 -5.077 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.455 21.250 -3.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.715 18.600 -6.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -8.898 22.338 -5.196 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.045 21.028 -7.096 1.00 0.00 H new ATOM 1324 N SER A 91 -11.793 16.907 -2.728 1.00 0.00 N ATOM 1325 CA SER A 91 -12.340 15.600 -3.073 1.00 0.00 C ATOM 1326 C SER A 91 -11.227 14.632 -3.464 1.00 0.00 C ATOM 1327 O SER A 91 -10.433 14.911 -4.362 1.00 0.00 O ATOM 1328 CB SER A 91 -13.344 15.731 -4.220 1.00 0.00 C ATOM 1329 OG SER A 91 -12.682 15.900 -5.461 1.00 0.00 O ATOM 0 H SER A 91 -11.461 17.449 -3.526 1.00 0.00 H new ATOM 0 HA SER A 91 -12.851 15.204 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.974 14.843 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.002 16.581 -4.036 1.00 0.00 H new ATOM 0 HG SER A 91 -11.715 15.803 -5.332 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.178 13.492 -2.783 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.165 12.480 -3.059 1.00 0.00 C ATOM 1337 C ALA A 92 -10.638 11.097 -2.627 1.00 0.00 C ATOM 1338 O ALA A 92 -11.437 10.965 -1.699 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.860 12.836 -2.362 1.00 0.00 C ATOM 0 H ALA A 92 -11.828 13.246 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.995 12.456 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.113 12.072 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.506 13.802 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.025 12.890 -1.286 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.142 10.068 -3.305 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.517 8.694 -2.992 1.00 0.00 C ATOM 1347 C TYR A 93 -9.342 7.746 -3.211 1.00 0.00 C ATOM 1348 O TYR A 93 -8.528 7.945 -4.113 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.704 8.259 -3.853 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.419 7.036 -3.325 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -11.804 5.791 -3.330 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -13.710 7.127 -2.819 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.454 4.671 -2.849 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -14.367 6.012 -2.334 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.735 4.786 -2.352 1.00 0.00 C ATOM 1356 OH TYR A 93 -14.385 3.673 -1.871 1.00 0.00 O ATOM 0 H TYR A 93 -9.479 10.159 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.804 8.652 -1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.414 9.083 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.353 8.056 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.800 5.697 -3.717 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.208 8.085 -2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.961 3.710 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.370 6.100 -1.943 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.278 3.926 -1.557 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.261 6.713 -2.378 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.188 5.732 -2.480 1.00 0.00 C ATOM 1368 C ILE A 94 -8.743 4.313 -2.522 1.00 0.00 C ATOM 1369 O ILE A 94 -9.532 3.919 -1.665 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.202 5.852 -1.303 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.786 7.311 -1.104 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -5.982 4.975 -1.543 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.820 7.812 -2.156 1.00 0.00 C ATOM 0 H ILE A 94 -9.926 6.534 -1.625 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.658 5.939 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.699 5.509 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.677 7.939 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.328 7.419 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.294 5.070 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.295 3.935 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.482 5.290 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.568 8.853 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.913 7.208 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.282 7.736 -3.140 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.322 3.548 -3.525 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.777 2.171 -3.677 1.00 0.00 C ATOM 1387 C GLU A 95 -7.638 1.190 -3.413 1.00 0.00 C ATOM 1388 O GLU A 95 -6.498 1.421 -3.816 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.340 1.949 -5.083 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.282 0.501 -5.540 1.00 0.00 C ATOM 1391 CD GLU A 95 -9.785 0.317 -6.959 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -9.163 0.875 -7.886 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -10.800 -0.387 -7.141 1.00 0.00 O ATOM 0 H GLU A 95 -7.668 3.858 -4.243 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.565 1.992 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.376 2.288 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.785 2.567 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.254 0.144 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.877 -0.113 -4.865 1.00 0.00 H new ATOM 1400 N VAL A 96 -7.956 0.093 -2.733 1.00 0.00 N ATOM 1401 CA VAL A 96 -6.962 -0.924 -2.414 1.00 0.00 C ATOM 1402 C VAL A 96 -7.262 -2.232 -3.138 1.00 0.00 C ATOM 1403 O VAL A 96 -8.248 -2.905 -2.840 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.898 -1.192 -0.899 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.744 -2.126 -0.569 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.773 0.115 -0.131 1.00 0.00 C ATOM 0 H VAL A 96 -8.895 -0.114 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.998 -0.539 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.825 -1.678 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.715 -2.303 0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.883 -3.074 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.806 -1.671 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.729 -0.094 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.863 0.632 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.637 0.745 -0.342 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.404 -2.585 -4.090 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.578 -3.813 -4.857 1.00 0.00 C ATOM 1418 C GLN A 97 -5.598 -4.887 -4.395 1.00 0.00 C ATOM 1419 O GLN A 97 -4.415 -4.615 -4.194 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.386 -3.539 -6.349 1.00 0.00 C ATOM 1421 CG GLN A 97 -4.946 -3.682 -6.814 1.00 0.00 C ATOM 1422 CD GLN A 97 -4.783 -3.420 -8.299 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -5.520 -3.965 -9.121 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -3.814 -2.583 -8.650 1.00 0.00 N ATOM 0 H GLN A 97 -5.582 -2.039 -4.348 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.592 -4.176 -4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.013 -4.225 -6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.732 -2.530 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.317 -2.988 -6.255 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.593 -4.687 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.227 -2.154 -7.935 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.657 -2.369 -9.635 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.099 -6.107 -4.229 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.266 -7.221 -3.790 1.00 0.00 C ATOM 1435 C GLU A 98 -4.570 -7.880 -4.977 1.00 0.00 C ATOM 1436 O GLU A 98 -5.154 -8.026 -6.051 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.111 -8.254 -3.042 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.291 -9.216 -2.199 1.00 0.00 C ATOM 1439 CD GLU A 98 -6.069 -9.769 -1.021 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -7.236 -10.170 -1.217 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -5.513 -9.801 0.096 1.00 0.00 O ATOM 0 H GLU A 98 -7.076 -6.349 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.504 -6.829 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.820 -7.733 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.695 -8.824 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.950 -10.041 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.401 -8.705 -1.834 1.00 0.00 H new ATOM 1448 N PHE A 99 -3.318 -8.277 -4.775 1.00 0.00 N ATOM 1449 CA PHE A 99 -2.540 -8.920 -5.827 1.00 0.00 C ATOM 1450 C PHE A 99 -2.608 -10.439 -5.703 1.00 0.00 C ATOM 1451 O PHE A 99 -3.278 -10.971 -4.819 1.00 0.00 O ATOM 1452 CB PHE A 99 -1.083 -8.457 -5.770 1.00 0.00 C ATOM 1453 CG PHE A 99 -0.575 -8.249 -4.371 1.00 0.00 C ATOM 1454 CD1 PHE A 99 -0.887 -7.094 -3.671 1.00 0.00 C ATOM 1455 CD2 PHE A 99 0.213 -9.208 -3.757 1.00 0.00 C ATOM 1456 CE1 PHE A 99 -0.420 -6.900 -2.385 1.00 0.00 C ATOM 1457 CE2 PHE A 99 0.683 -9.020 -2.470 1.00 0.00 C ATOM 1458 CZ PHE A 99 0.364 -7.865 -1.783 1.00 0.00 C ATOM 0 H PHE A 99 -2.820 -8.165 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.968 -8.632 -6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.456 -9.195 -6.270 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.984 -7.525 -6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.502 -6.337 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.464 -10.114 -4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.668 -5.995 -1.851 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.298 -9.775 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.727 -7.717 -0.777 1.00 0.00 H new ATOM 1468 N GLY A 100 -1.909 -11.132 -6.598 1.00 0.00 N ATOM 1469 CA GLY A 100 -1.904 -12.583 -6.572 1.00 0.00 C ATOM 1470 C GLY A 100 -1.034 -13.140 -5.463 1.00 0.00 C ATOM 1471 O GLY A 100 -0.166 -13.978 -5.706 1.00 0.00 O ATOM 0 H GLY A 100 -1.347 -10.714 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.924 -12.945 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.549 -12.959 -7.532 1.00 0.00 H new ATOM 1475 N VAL A 101 -1.266 -12.673 -4.240 1.00 0.00 N ATOM 1476 CA VAL A 101 -0.496 -13.129 -3.089 1.00 0.00 C ATOM 1477 C VAL A 101 -0.197 -14.621 -3.184 1.00 0.00 C ATOM 1478 O VAL A 101 -1.095 -15.452 -3.316 1.00 0.00 O ATOM 1479 CB VAL A 101 -1.240 -12.849 -1.770 1.00 0.00 C ATOM 1480 CG1 VAL A 101 -0.354 -13.175 -0.577 1.00 0.00 C ATOM 1481 CG2 VAL A 101 -1.706 -11.402 -1.718 1.00 0.00 C ATOM 0 H VAL A 101 -1.981 -11.979 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 101 0.441 -12.572 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.119 -13.492 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.897 -12.971 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.075 -14.228 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.545 -12.560 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.230 -11.222 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.843 -10.739 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.379 -11.206 -2.552 1.00 0.00 H new ATOM 1491 N PRO A 102 1.096 -14.971 -3.115 1.00 0.00 N ATOM 1492 CA PRO A 102 1.544 -16.364 -3.191 1.00 0.00 C ATOM 1493 C PRO A 102 1.161 -17.164 -1.951 1.00 0.00 C ATOM 1494 O PRO A 102 1.244 -16.666 -0.828 1.00 0.00 O ATOM 1495 CB PRO A 102 3.066 -16.242 -3.299 1.00 0.00 C ATOM 1496 CG PRO A 102 3.387 -14.934 -2.663 1.00 0.00 C ATOM 1497 CD PRO A 102 2.220 -14.033 -2.958 1.00 0.00 C ATOM 0 HA PRO A 102 1.085 -16.895 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 102 3.566 -17.064 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 102 3.392 -16.267 -4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 102 3.531 -15.047 -1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 102 4.311 -14.520 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.043 -13.326 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.383 -13.447 -3.862 1.00 0.00 H new ATOM 1505 N VAL A 103 0.740 -18.408 -2.161 1.00 0.00 N ATOM 1506 CA VAL A 103 0.345 -19.278 -1.059 1.00 0.00 C ATOM 1507 C VAL A 103 1.398 -19.281 0.043 1.00 0.00 C ATOM 1508 O VAL A 103 2.573 -19.549 -0.208 1.00 0.00 O ATOM 1509 CB VAL A 103 0.116 -20.723 -1.540 1.00 0.00 C ATOM 1510 CG1 VAL A 103 1.227 -21.154 -2.485 1.00 0.00 C ATOM 1511 CG2 VAL A 103 0.019 -21.669 -0.353 1.00 0.00 C ATOM 0 H VAL A 103 0.664 -18.836 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.590 -18.883 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.827 -20.761 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.048 -22.178 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.245 -20.492 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.185 -21.102 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.143 -22.686 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.945 -21.629 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.815 -21.371 0.283 1.00 0.00 H new ATOM 1521 N GLN A 104 0.969 -18.982 1.265 1.00 0.00 N ATOM 1522 CA GLN A 104 1.875 -18.950 2.406 1.00 0.00 C ATOM 1523 C GLN A 104 1.650 -20.154 3.315 1.00 0.00 C ATOM 1524 O GLN A 104 0.521 -20.595 3.532 1.00 0.00 O ATOM 1525 CB GLN A 104 1.686 -17.656 3.199 1.00 0.00 C ATOM 1526 CG GLN A 104 0.274 -17.468 3.729 1.00 0.00 C ATOM 1527 CD GLN A 104 0.053 -18.161 5.060 1.00 0.00 C ATOM 1528 OE1 GLN A 104 0.945 -18.202 5.907 1.00 0.00 O ATOM 1529 NE2 GLN A 104 -1.142 -18.709 5.250 1.00 0.00 N ATOM 0 H GLN A 104 -0.000 -18.759 1.490 1.00 0.00 H new ATOM 0 HA GLN A 104 2.896 -18.990 2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.384 -17.648 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.942 -16.809 2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.070 -16.403 3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.438 -17.854 3.000 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.852 -18.651 4.520 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.350 -19.188 6.126 1.00 0.00 H new ATOM 1538 N PRO A 105 2.748 -20.701 3.858 1.00 0.00 N ATOM 1539 CA PRO A 105 2.695 -21.861 4.751 1.00 0.00 C ATOM 1540 C PRO A 105 2.075 -21.525 6.103 1.00 0.00 C ATOM 1541 O PRO A 105 1.852 -20.361 6.438 1.00 0.00 O ATOM 1542 CB PRO A 105 4.167 -22.247 4.920 1.00 0.00 C ATOM 1543 CG PRO A 105 4.919 -20.986 4.668 1.00 0.00 C ATOM 1544 CD PRO A 105 4.125 -20.227 3.642 1.00 0.00 C ATOM 0 HA PRO A 105 2.074 -22.659 4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.363 -22.632 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.455 -23.028 4.216 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.027 -20.406 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.925 -21.198 4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.207 -19.150 3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.469 -20.439 2.630 1.00 0.00 H new ATOM 1552 N PRO A 106 1.789 -22.565 6.899 1.00 0.00 N ATOM 1553 CA PRO A 106 1.191 -22.405 8.228 1.00 0.00 C ATOM 1554 C PRO A 106 2.159 -21.780 9.227 1.00 0.00 C ATOM 1555 O PRO A 106 3.317 -21.519 8.904 1.00 0.00 O ATOM 1556 CB PRO A 106 0.849 -23.839 8.640 1.00 0.00 C ATOM 1557 CG PRO A 106 1.799 -24.690 7.870 1.00 0.00 C ATOM 1558 CD PRO A 106 2.027 -23.979 6.564 1.00 0.00 C ATOM 0 HA PRO A 106 0.330 -21.737 8.209 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.970 -23.982 9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.186 -24.084 8.400 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.735 -24.819 8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.386 -25.685 7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.039 -24.139 6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.343 -24.329 5.791 1.00 0.00 H new ATOM 1566 N ARG A 107 1.676 -21.543 10.443 1.00 0.00 N ATOM 1567 CA ARG A 107 2.499 -20.949 11.489 1.00 0.00 C ATOM 1568 C ARG A 107 3.500 -21.962 12.036 1.00 0.00 C ATOM 1569 O ARG A 107 3.132 -22.968 12.644 1.00 0.00 O ATOM 1570 CB ARG A 107 1.618 -20.423 12.624 1.00 0.00 C ATOM 1571 CG ARG A 107 1.188 -18.976 12.441 1.00 0.00 C ATOM 1572 CD ARG A 107 0.833 -18.328 13.770 1.00 0.00 C ATOM 1573 NE ARG A 107 1.066 -16.887 13.756 1.00 0.00 N ATOM 1574 CZ ARG A 107 1.182 -16.150 14.855 1.00 0.00 C ATOM 1575 NH1 ARG A 107 1.088 -16.716 16.050 1.00 0.00 N ATOM 1576 NH2 ARG A 107 1.392 -14.843 14.760 1.00 0.00 N ATOM 0 H ARG A 107 0.719 -21.753 10.727 1.00 0.00 H new ATOM 0 HA ARG A 107 3.052 -20.118 11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.730 -21.050 12.703 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.159 -20.516 13.566 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.991 -18.414 11.964 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.328 -18.933 11.773 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.214 -18.524 14.000 1.00 0.00 H new ATOM 0 HD3 ARG A 107 1.424 -18.783 14.565 1.00 0.00 H new ATOM 0 HE ARG A 107 1.144 -16.420 12.852 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.926 -17.720 16.127 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.178 -16.147 16.892 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.464 -14.403 13.842 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.481 -14.278 15.605 1.00 0.00 H new ATOM 1590 N PRO A 108 4.795 -21.694 11.816 1.00 0.00 N ATOM 1591 CA PRO A 108 5.875 -22.570 12.278 1.00 0.00 C ATOM 1592 C PRO A 108 6.028 -22.551 13.795 1.00 0.00 C ATOM 1593 O PRO A 108 6.579 -21.606 14.362 1.00 0.00 O ATOM 1594 CB PRO A 108 7.120 -21.984 11.607 1.00 0.00 C ATOM 1595 CG PRO A 108 6.783 -20.552 11.371 1.00 0.00 C ATOM 1596 CD PRO A 108 5.305 -20.513 11.098 1.00 0.00 C ATOM 0 HA PRO A 108 5.689 -23.614 12.024 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.998 -22.084 12.245 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.345 -22.497 10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.035 -19.944 12.239 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.346 -20.153 10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.852 -19.592 11.466 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.092 -20.568 10.031 1.00 0.00 H new ATOM 1604 N THR A 109 5.538 -23.600 14.449 1.00 0.00 N ATOM 1605 CA THR A 109 5.620 -23.703 15.900 1.00 0.00 C ATOM 1606 C THR A 109 5.323 -25.122 16.368 1.00 0.00 C ATOM 1607 O THR A 109 4.574 -25.856 15.722 1.00 0.00 O ATOM 1608 CB THR A 109 4.642 -22.732 16.588 1.00 0.00 C ATOM 1609 OG1 THR A 109 4.791 -22.811 18.010 1.00 0.00 O ATOM 1610 CG2 THR A 109 3.204 -23.051 16.206 1.00 0.00 C ATOM 0 H THR A 109 5.080 -24.391 13.996 1.00 0.00 H new ATOM 0 HA THR A 109 6.640 -23.438 16.179 1.00 0.00 H new ATOM 0 HB THR A 109 4.875 -21.721 16.254 1.00 0.00 H new ATOM 0 HG1 THR A 109 4.167 -22.189 18.439 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.532 -22.352 16.704 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.086 -22.961 15.126 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.963 -24.068 16.514 1.00 0.00 H new ATOM 1618 N ASP A 110 5.913 -25.504 17.496 1.00 0.00 N ATOM 1619 CA ASP A 110 5.709 -26.837 18.052 1.00 0.00 C ATOM 1620 C ASP A 110 4.966 -26.763 19.382 1.00 0.00 C ATOM 1621 O ASP A 110 5.159 -25.844 20.178 1.00 0.00 O ATOM 1622 CB ASP A 110 7.052 -27.544 18.242 1.00 0.00 C ATOM 1623 CG ASP A 110 8.010 -27.286 17.095 1.00 0.00 C ATOM 1624 OD1 ASP A 110 7.544 -27.211 15.939 1.00 0.00 O ATOM 1625 OD2 ASP A 110 9.224 -27.157 17.355 1.00 0.00 O ATOM 0 H ASP A 110 6.536 -24.910 18.043 1.00 0.00 H new ATOM 0 HA ASP A 110 5.103 -27.408 17.349 1.00 0.00 H new ATOM 0 HB2 ASP A 110 7.507 -27.209 19.174 1.00 0.00 H new ATOM 0 HB3 ASP A 110 6.884 -28.617 18.337 1.00 0.00 H new ATOM 1630 N PRO A 111 4.096 -27.753 19.630 1.00 0.00 N ATOM 1631 CA PRO A 111 3.306 -27.822 20.863 1.00 0.00 C ATOM 1632 C PRO A 111 4.163 -28.138 22.084 1.00 0.00 C ATOM 1633 O PRO A 111 4.017 -27.516 23.135 1.00 0.00 O ATOM 1634 CB PRO A 111 2.322 -28.963 20.591 1.00 0.00 C ATOM 1635 CG PRO A 111 3.004 -29.817 19.578 1.00 0.00 C ATOM 1636 CD PRO A 111 3.816 -28.881 18.726 1.00 0.00 C ATOM 0 HA PRO A 111 2.825 -26.871 21.092 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.105 -29.524 21.500 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.371 -28.585 20.215 1.00 0.00 H new ATOM 0 HG2 PRO A 111 3.641 -30.559 20.059 1.00 0.00 H new ATOM 0 HG3 PRO A 111 2.278 -30.363 18.975 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.734 -29.352 18.375 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.264 -28.560 17.843 1.00 0.00 H new ATOM 1644 N ASN A 112 5.059 -29.109 21.937 1.00 0.00 N ATOM 1645 CA ASN A 112 5.940 -29.508 23.028 1.00 0.00 C ATOM 1646 C ASN A 112 7.320 -28.875 22.872 1.00 0.00 C ATOM 1647 O ASN A 112 8.343 -29.542 23.035 1.00 0.00 O ATOM 1648 CB ASN A 112 6.068 -31.032 23.077 1.00 0.00 C ATOM 1649 CG ASN A 112 6.875 -31.582 21.917 1.00 0.00 C ATOM 1650 OD1 ASN A 112 7.149 -30.876 20.947 1.00 0.00 O ATOM 1651 ND2 ASN A 112 7.260 -32.849 22.013 1.00 0.00 N ATOM 0 H ASN A 112 5.194 -29.634 21.073 1.00 0.00 H new ATOM 0 HA ASN A 112 5.502 -29.157 23.962 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.540 -31.324 24.015 1.00 0.00 H new ATOM 0 HB3 ASN A 112 5.073 -31.478 23.068 1.00 0.00 H new ATOM 0 HD21 ASN A 112 7.806 -33.274 21.264 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.010 -33.397 22.836 1.00 0.00 H new ATOM 1658 N LEU A 113 7.340 -27.585 22.557 1.00 0.00 N ATOM 1659 CA LEU A 113 8.594 -26.861 22.379 1.00 0.00 C ATOM 1660 C LEU A 113 9.578 -27.193 23.497 1.00 0.00 C ATOM 1661 O LEU A 113 9.212 -27.218 24.672 1.00 0.00 O ATOM 1662 CB LEU A 113 8.335 -25.354 22.344 1.00 0.00 C ATOM 1663 CG LEU A 113 9.333 -24.519 21.541 1.00 0.00 C ATOM 1664 CD1 LEU A 113 8.823 -23.097 21.368 1.00 0.00 C ATOM 1665 CD2 LEU A 113 10.696 -24.520 22.218 1.00 0.00 C ATOM 0 H LEU A 113 6.503 -27.019 22.420 1.00 0.00 H new ATOM 0 HA LEU A 113 9.032 -27.171 21.430 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.339 -25.186 21.934 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.324 -24.984 23.369 1.00 0.00 H new ATOM 0 HG LEU A 113 9.440 -24.967 20.553 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.547 -22.518 20.794 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.870 -23.114 20.839 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.686 -22.638 22.347 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.393 -23.921 21.633 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.606 -24.097 23.219 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.067 -25.543 22.288 1.00 0.00 H new ATOM 1677 N ILE A 114 10.827 -27.446 23.122 1.00 0.00 N ATOM 1678 CA ILE A 114 11.864 -27.773 24.093 1.00 0.00 C ATOM 1679 C ILE A 114 11.917 -26.737 25.211 1.00 0.00 C ATOM 1680 O ILE A 114 11.995 -25.532 24.971 1.00 0.00 O ATOM 1681 CB ILE A 114 13.250 -27.866 23.427 1.00 0.00 C ATOM 1682 CG1 ILE A 114 13.188 -28.768 22.193 1.00 0.00 C ATOM 1683 CG2 ILE A 114 14.280 -28.386 24.419 1.00 0.00 C ATOM 1684 CD1 ILE A 114 12.252 -29.946 22.352 1.00 0.00 C ATOM 0 H ILE A 114 11.146 -27.431 22.153 1.00 0.00 H new ATOM 0 HA ILE A 114 11.607 -28.745 24.514 1.00 0.00 H new ATOM 0 HB ILE A 114 13.552 -26.868 23.109 1.00 0.00 H new ATOM 0 HG12 ILE A 114 12.870 -28.175 21.335 1.00 0.00 H new ATOM 0 HG13 ILE A 114 14.189 -29.137 21.972 1.00 0.00 H new ATOM 0 HG21 ILE A 114 15.254 -28.446 23.934 1.00 0.00 H new ATOM 0 HG22 ILE A 114 14.340 -27.708 25.270 1.00 0.00 H new ATOM 0 HG23 ILE A 114 13.985 -29.377 24.764 1.00 0.00 H new ATOM 0 HD11 ILE A 114 12.258 -30.542 21.439 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.581 -30.562 23.189 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.241 -29.585 22.542 1.00 0.00 H new ATOM 1696 N PRO A 115 11.876 -27.216 26.463 1.00 0.00 N ATOM 1697 CA PRO A 115 11.921 -26.348 27.644 1.00 0.00 C ATOM 1698 C PRO A 115 13.287 -25.696 27.833 1.00 0.00 C ATOM 1699 O PRO A 115 14.318 -26.294 27.525 1.00 0.00 O ATOM 1700 CB PRO A 115 11.621 -27.305 28.800 1.00 0.00 C ATOM 1701 CG PRO A 115 12.048 -28.643 28.304 1.00 0.00 C ATOM 1702 CD PRO A 115 11.783 -28.640 26.823 1.00 0.00 C ATOM 0 HA PRO A 115 11.218 -25.518 27.566 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.168 -27.023 29.700 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.561 -27.297 29.056 1.00 0.00 H new ATOM 0 HG2 PRO A 115 13.104 -28.817 28.511 1.00 0.00 H new ATOM 0 HG3 PRO A 115 11.491 -29.439 28.799 1.00 0.00 H new ATOM 0 HD2 PRO A 115 12.515 -29.240 26.283 1.00 0.00 H new ATOM 0 HD3 PRO A 115 10.800 -29.050 26.590 1.00 0.00 H new ATOM 1710 N SER A 116 13.286 -24.468 28.341 1.00 0.00 N ATOM 1711 CA SER A 116 14.526 -23.734 28.567 1.00 0.00 C ATOM 1712 C SER A 116 14.393 -22.801 29.767 1.00 0.00 C ATOM 1713 O SER A 116 13.445 -22.020 29.858 1.00 0.00 O ATOM 1714 CB SER A 116 14.903 -22.930 27.321 1.00 0.00 C ATOM 1715 OG SER A 116 15.595 -23.738 26.385 1.00 0.00 O ATOM 0 H SER A 116 12.441 -23.960 28.604 1.00 0.00 H new ATOM 0 HA SER A 116 15.314 -24.457 28.776 1.00 0.00 H new ATOM 0 HB2 SER A 116 14.003 -22.523 26.860 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.526 -22.082 27.606 1.00 0.00 H new ATOM 0 HG SER A 116 15.385 -24.681 26.549 1.00 0.00 H new ATOM 1721 N ALA A 117 15.349 -22.887 30.685 1.00 0.00 N ATOM 1722 CA ALA A 117 15.341 -22.050 31.878 1.00 0.00 C ATOM 1723 C ALA A 117 15.770 -20.624 31.551 1.00 0.00 C ATOM 1724 O ALA A 117 14.999 -19.673 31.683 1.00 0.00 O ATOM 1725 CB ALA A 117 16.248 -22.644 32.946 1.00 0.00 C ATOM 0 H ALA A 117 16.140 -23.528 30.625 1.00 0.00 H new ATOM 0 HA ALA A 117 14.321 -22.016 32.261 1.00 0.00 H new ATOM 0 HB1 ALA A 117 16.232 -22.008 33.831 1.00 0.00 H new ATOM 0 HB2 ALA A 117 15.896 -23.641 33.209 1.00 0.00 H new ATOM 0 HB3 ALA A 117 17.267 -22.708 32.564 1.00 0.00 H new ATOM 1731 N PRO A 118 17.029 -20.469 31.115 1.00 0.00 N ATOM 1732 CA PRO A 118 17.588 -19.161 30.760 1.00 0.00 C ATOM 1733 C PRO A 118 16.973 -18.594 29.486 1.00 0.00 C ATOM 1734 O PRO A 118 17.683 -18.264 28.536 1.00 0.00 O ATOM 1735 CB PRO A 118 19.075 -19.456 30.551 1.00 0.00 C ATOM 1736 CG PRO A 118 19.127 -20.899 30.184 1.00 0.00 C ATOM 1737 CD PRO A 118 18.003 -21.558 30.934 1.00 0.00 C ATOM 0 HA PRO A 118 17.392 -18.412 31.527 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.495 -18.832 29.763 1.00 0.00 H new ATOM 0 HB3 PRO A 118 19.649 -19.257 31.456 1.00 0.00 H new ATOM 0 HG2 PRO A 118 19.010 -21.033 29.109 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.087 -21.337 30.457 1.00 0.00 H new ATOM 0 HD2 PRO A 118 17.577 -22.389 30.371 1.00 0.00 H new ATOM 0 HD3 PRO A 118 18.339 -21.960 31.890 1.00 0.00 H new TER 1745 PRO A 118