USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1068 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 TYR OH : rot -157:sc= 0.688 USER MOD Set 1.2: A 71 TYR OH : rot -85:sc= 0.505 USER MOD Set 1.3: A 140 GLN : amide:sc= -3.4! C(o=-2.2!,f=-3.6!) USER MOD Single : A 7 MET CE :methyl -125:sc= 0 (180deg=-0.0759) USER MOD Single : A 8 THR OG1 : rot -16:sc= 0.109 USER MOD Single : A 9 THR OG1 : rot 21:sc= 0.962 USER MOD Single : A 13 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -1.06 F(o=-2!,f=-1.1) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 36:sc= 0.321 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.67) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.09 F(o=-2.1!,f=-1.1) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 80 ASN : amide:sc= -0.0654 X(o=-0.065,f=-0.24) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -29:sc= 1.17 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.5) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 THR OG1 : rot -120:sc= -0.0635 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.534 USER MOD Single : A 117 ASN : amide:sc=-0.00123 K(o=-0.0012,f=-1.1) USER MOD Single : A 119 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.97) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 119:sc= 0.0369 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 THR OG1 : rot 116:sc= 0.137 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.0719 USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 ASN : amide:sc= -0.0211 X(o=-0.021,f=-0.021) USER MOD Single : A 150 ASN : amide:sc= 0.126 K(o=0.13,f=-1.5) USER MOD Single : A 152 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.36) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 -2.828 -11.067 43.145 1.00 0.00 N ATOM 35 CA ALA A 3 -2.356 -12.048 42.174 1.00 0.00 C ATOM 36 C ALA A 3 -3.481 -12.981 41.733 1.00 0.00 C ATOM 37 O ALA A 3 -3.404 -13.603 40.675 1.00 0.00 O ATOM 38 CB ALA A 3 -1.203 -12.850 42.757 1.00 0.00 C ATOM 0 HA ALA A 3 -2.006 -11.508 41.294 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.859 -13.579 42.023 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.384 -12.177 43.012 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.538 -13.369 43.655 1.00 0.00 H new ATOM 44 N ASP A 4 -4.527 -13.074 42.550 1.00 0.00 N ATOM 45 CA ASP A 4 -5.665 -13.929 42.239 1.00 0.00 C ATOM 46 C ASP A 4 -6.554 -13.276 41.189 1.00 0.00 C ATOM 47 O ASP A 4 -6.801 -13.844 40.126 1.00 0.00 O ATOM 48 CB ASP A 4 -6.476 -14.219 43.503 1.00 0.00 C ATOM 49 CG ASP A 4 -6.023 -15.485 44.204 1.00 0.00 C ATOM 50 OD1 ASP A 4 -4.835 -15.560 44.585 1.00 0.00 O ATOM 51 OD2 ASP A 4 -6.854 -16.402 44.370 1.00 0.00 O ATOM 0 H ASP A 4 -4.608 -12.567 43.432 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.286 -14.870 41.840 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.388 -13.376 44.189 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.530 -14.309 43.242 1.00 0.00 H new ATOM 57 N GLU A 5 -7.025 -12.071 41.493 1.00 0.00 N ATOM 58 CA GLU A 5 -7.879 -11.331 40.574 1.00 0.00 C ATOM 59 C GLU A 5 -7.110 -10.955 39.312 1.00 0.00 C ATOM 60 O GLU A 5 -7.699 -10.768 38.247 1.00 0.00 O ATOM 61 CB GLU A 5 -8.422 -10.071 41.251 1.00 0.00 C ATOM 62 CG GLU A 5 -9.874 -9.777 40.913 1.00 0.00 C ATOM 63 CD GLU A 5 -10.820 -10.129 42.044 1.00 0.00 C ATOM 64 OE1 GLU A 5 -10.612 -11.179 42.686 1.00 0.00 O ATOM 65 OE2 GLU A 5 -11.769 -9.355 42.287 1.00 0.00 O ATOM 0 H GLU A 5 -6.829 -11.587 42.369 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.716 -11.971 40.294 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.324 -10.178 42.331 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.810 -9.218 40.958 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.980 -8.719 40.672 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.156 -10.337 40.021 1.00 0.00 H new ATOM 73 N TRP A 6 -5.789 -10.847 39.438 1.00 0.00 N ATOM 74 CA TRP A 6 -4.942 -10.494 38.305 1.00 0.00 C ATOM 75 C TRP A 6 -4.825 -11.661 37.328 1.00 0.00 C ATOM 76 O TRP A 6 -4.942 -11.482 36.116 1.00 0.00 O ATOM 77 CB TRP A 6 -3.551 -10.076 38.790 1.00 0.00 C ATOM 78 CG TRP A 6 -3.351 -8.591 38.811 1.00 0.00 C ATOM 79 CD1 TRP A 6 -2.280 -7.902 38.321 1.00 0.00 C ATOM 80 CD2 TRP A 6 -4.247 -7.611 39.350 1.00 0.00 C ATOM 81 NE1 TRP A 6 -2.453 -6.554 38.522 1.00 0.00 N ATOM 82 CE2 TRP A 6 -3.654 -6.350 39.151 1.00 0.00 C ATOM 83 CE3 TRP A 6 -5.493 -7.677 39.980 1.00 0.00 C ATOM 84 CZ2 TRP A 6 -4.265 -5.167 39.560 1.00 0.00 C ATOM 85 CZ3 TRP A 6 -6.098 -6.503 40.385 1.00 0.00 C ATOM 86 CH2 TRP A 6 -5.483 -5.262 40.173 1.00 0.00 C ATOM 0 H TRP A 6 -5.285 -10.999 40.312 1.00 0.00 H new ATOM 0 HA TRP A 6 -5.404 -9.655 37.786 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -3.390 -10.471 39.793 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.798 -10.528 38.144 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.421 -8.351 37.844 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.795 -5.824 38.248 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.974 -8.629 40.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -3.793 -4.209 39.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -7.061 -6.542 40.873 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -5.982 -4.362 40.501 1.00 0.00 H new ATOM 97 N MET A 7 -4.594 -12.854 37.866 1.00 0.00 N ATOM 98 CA MET A 7 -4.462 -14.050 37.042 1.00 0.00 C ATOM 99 C MET A 7 -5.748 -14.324 36.269 1.00 0.00 C ATOM 100 O MET A 7 -5.717 -14.604 35.071 1.00 0.00 O ATOM 101 CB MET A 7 -4.107 -15.259 37.913 1.00 0.00 C ATOM 102 CG MET A 7 -2.626 -15.599 37.905 1.00 0.00 C ATOM 103 SD MET A 7 -2.207 -16.843 36.668 1.00 0.00 S ATOM 104 CE MET A 7 -2.821 -18.329 37.460 1.00 0.00 C ATOM 0 H MET A 7 -4.494 -13.018 38.868 1.00 0.00 H new ATOM 0 HA MET A 7 -3.659 -13.880 36.325 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.421 -15.063 38.938 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.672 -16.124 37.567 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.050 -14.694 37.714 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.334 -15.960 38.891 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.019 -19.064 37.527 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.176 -18.087 38.462 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.642 -18.741 36.874 1.00 0.00 H new ATOM 114 N THR A 8 -6.879 -14.240 36.964 1.00 0.00 N ATOM 115 CA THR A 8 -8.177 -14.479 36.343 1.00 0.00 C ATOM 116 C THR A 8 -8.423 -13.497 35.201 1.00 0.00 C ATOM 117 O THR A 8 -8.981 -13.862 34.166 1.00 0.00 O ATOM 118 CB THR A 8 -9.291 -14.359 37.383 1.00 0.00 C ATOM 119 OG1 THR A 8 -9.248 -13.095 38.022 1.00 0.00 O ATOM 120 CG2 THR A 8 -9.223 -15.421 38.459 1.00 0.00 C ATOM 0 H THR A 8 -6.922 -14.008 37.956 1.00 0.00 H new ATOM 0 HA THR A 8 -8.177 -15.490 35.935 1.00 0.00 H new ATOM 0 HB THR A 8 -10.219 -14.488 36.827 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.380 -12.672 37.853 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.042 -15.278 39.164 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.306 -16.407 38.002 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.272 -15.344 38.987 1.00 0.00 H new ATOM 128 N THR A 9 -8.003 -12.252 35.396 1.00 0.00 N ATOM 129 CA THR A 9 -8.178 -11.219 34.382 1.00 0.00 C ATOM 130 C THR A 9 -7.139 -11.361 33.275 1.00 0.00 C ATOM 131 O THR A 9 -7.401 -11.035 32.118 1.00 0.00 O ATOM 132 CB THR A 9 -8.078 -9.831 35.016 1.00 0.00 C ATOM 133 OG1 THR A 9 -6.941 -9.744 35.856 1.00 0.00 O ATOM 134 CG2 THR A 9 -9.291 -9.462 35.845 1.00 0.00 C ATOM 0 H THR A 9 -7.539 -11.934 36.247 1.00 0.00 H new ATOM 0 HA THR A 9 -9.168 -11.340 33.943 1.00 0.00 H new ATOM 0 HB THR A 9 -8.005 -9.136 34.179 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.298 -10.442 35.610 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.155 -8.466 36.266 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.180 -9.471 35.214 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.413 -10.183 36.653 1.00 0.00 H new ATOM 142 N PHE A 10 -5.958 -11.851 33.639 1.00 0.00 N ATOM 143 CA PHE A 10 -4.878 -12.037 32.676 1.00 0.00 C ATOM 144 C PHE A 10 -5.272 -13.054 31.608 1.00 0.00 C ATOM 145 O PHE A 10 -4.896 -12.920 30.443 1.00 0.00 O ATOM 146 CB PHE A 10 -3.603 -12.491 33.390 1.00 0.00 C ATOM 147 CG PHE A 10 -2.488 -11.486 33.325 1.00 0.00 C ATOM 148 CD1 PHE A 10 -2.518 -10.348 34.114 1.00 0.00 C ATOM 149 CD2 PHE A 10 -1.413 -11.681 32.474 1.00 0.00 C ATOM 150 CE1 PHE A 10 -1.493 -9.422 34.056 1.00 0.00 C ATOM 151 CE2 PHE A 10 -0.386 -10.759 32.411 1.00 0.00 C ATOM 152 CZ PHE A 10 -0.426 -9.627 33.204 1.00 0.00 C ATOM 0 H PHE A 10 -5.725 -12.126 34.593 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.689 -11.081 32.187 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.835 -12.697 34.435 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.263 -13.428 32.948 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.351 -10.182 34.781 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.377 -12.564 31.853 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.527 -8.539 34.677 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.447 -10.922 31.743 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.376 -8.905 33.157 1.00 0.00 H new ATOM 162 N ARG A 11 -6.028 -14.068 32.013 1.00 0.00 N ATOM 163 CA ARG A 11 -6.472 -15.107 31.091 1.00 0.00 C ATOM 164 C ARG A 11 -7.302 -14.512 29.958 1.00 0.00 C ATOM 165 O ARG A 11 -7.276 -15.006 28.831 1.00 0.00 O ATOM 166 CB ARG A 11 -7.288 -16.165 31.836 1.00 0.00 C ATOM 167 CG ARG A 11 -7.296 -17.521 31.150 1.00 0.00 C ATOM 168 CD ARG A 11 -8.661 -18.187 31.248 1.00 0.00 C ATOM 169 NE ARG A 11 -8.614 -19.593 30.853 1.00 0.00 N ATOM 170 CZ ARG A 11 -8.464 -20.004 29.595 1.00 0.00 C ATOM 171 NH1 ARG A 11 -8.343 -19.123 28.610 1.00 0.00 N ATOM 172 NH2 ARG A 11 -8.434 -21.301 29.323 1.00 0.00 N ATOM 0 H ARG A 11 -6.346 -14.193 32.974 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.588 -15.577 30.660 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.887 -16.279 32.843 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.315 -15.814 31.940 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.023 -17.401 30.102 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.543 -18.164 31.604 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.029 -18.110 32.271 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.370 -17.656 30.613 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.701 -20.300 31.583 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.365 -18.124 28.814 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.228 -19.445 27.649 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.526 -21.982 30.076 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.319 -21.618 28.360 1.00 0.00 H new ATOM 186 N GLU A 12 -8.038 -13.450 30.265 1.00 0.00 N ATOM 187 CA GLU A 12 -8.876 -12.787 29.273 1.00 0.00 C ATOM 188 C GLU A 12 -8.022 -12.107 28.207 1.00 0.00 C ATOM 189 O GLU A 12 -8.426 -12.000 27.049 1.00 0.00 O ATOM 190 CB GLU A 12 -9.788 -11.760 29.950 1.00 0.00 C ATOM 191 CG GLU A 12 -11.264 -12.123 29.888 1.00 0.00 C ATOM 192 CD GLU A 12 -11.771 -12.724 31.184 1.00 0.00 C ATOM 193 OE1 GLU A 12 -11.254 -13.789 31.586 1.00 0.00 O ATOM 194 OE2 GLU A 12 -12.683 -12.132 31.797 1.00 0.00 O ATOM 0 H GLU A 12 -8.071 -13.029 31.194 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.492 -13.544 28.788 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.492 -11.655 30.994 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.641 -10.789 29.478 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.844 -11.231 29.654 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.427 -12.831 29.075 1.00 0.00 H new ATOM 202 N ASN A 13 -6.840 -11.650 28.606 1.00 0.00 N ATOM 203 CA ASN A 13 -5.928 -10.981 27.684 1.00 0.00 C ATOM 204 C ASN A 13 -5.227 -11.991 26.782 1.00 0.00 C ATOM 205 O ASN A 13 -5.119 -11.789 25.573 1.00 0.00 O ATOM 206 CB ASN A 13 -4.892 -10.167 28.460 1.00 0.00 C ATOM 207 CG ASN A 13 -4.163 -9.171 27.581 1.00 0.00 C ATOM 208 OD1 ASN A 13 -3.895 -9.438 26.411 1.00 0.00 O ATOM 209 ND2 ASN A 13 -3.836 -8.012 28.144 1.00 0.00 N ATOM 0 H ASN A 13 -6.491 -11.730 29.561 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.514 -10.308 27.058 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.386 -9.636 29.273 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.169 -10.844 28.915 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.343 -7.303 27.602 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.078 -7.832 29.118 1.00 0.00 H new ATOM 216 N ILE A 14 -4.752 -13.079 27.379 1.00 0.00 N ATOM 217 CA ILE A 14 -4.061 -14.122 26.630 1.00 0.00 C ATOM 218 C ILE A 14 -5.017 -14.844 25.686 1.00 0.00 C ATOM 219 O ILE A 14 -4.655 -15.182 24.559 1.00 0.00 O ATOM 220 CB ILE A 14 -3.409 -15.153 27.571 1.00 0.00 C ATOM 221 CG1 ILE A 14 -2.575 -14.446 28.640 1.00 0.00 C ATOM 222 CG2 ILE A 14 -2.549 -16.125 26.777 1.00 0.00 C ATOM 223 CD1 ILE A 14 -1.498 -13.547 28.070 1.00 0.00 C ATOM 0 H ILE A 14 -4.833 -13.261 28.379 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.281 -13.630 26.048 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.197 -15.718 28.068 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.236 -13.852 29.271 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.110 -15.195 29.281 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.095 -16.847 27.456 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.169 -16.650 26.050 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.766 -15.575 26.255 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.946 -13.078 28.885 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.814 -14.139 27.462 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.957 -12.775 27.452 1.00 0.00 H new ATOM 235 N ALA A 15 -6.240 -15.076 26.154 1.00 0.00 N ATOM 236 CA ALA A 15 -7.248 -15.757 25.350 1.00 0.00 C ATOM 237 C ALA A 15 -7.708 -14.881 24.190 1.00 0.00 C ATOM 238 O ALA A 15 -8.072 -15.384 23.127 1.00 0.00 O ATOM 239 CB ALA A 15 -8.434 -16.152 26.218 1.00 0.00 C ATOM 0 H ALA A 15 -6.556 -14.803 27.085 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.799 -16.659 24.934 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.180 -16.660 25.606 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.098 -16.821 27.010 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.875 -15.259 26.660 1.00 0.00 H new ATOM 245 N GLN A 16 -7.690 -13.570 24.402 1.00 0.00 N ATOM 246 CA GLN A 16 -8.104 -12.623 23.373 1.00 0.00 C ATOM 247 C GLN A 16 -7.156 -12.667 22.179 1.00 0.00 C ATOM 248 O GLN A 16 -7.590 -12.766 21.032 1.00 0.00 O ATOM 249 CB GLN A 16 -8.156 -11.206 23.946 1.00 0.00 C ATOM 250 CG GLN A 16 -8.729 -10.180 22.982 1.00 0.00 C ATOM 251 CD GLN A 16 -8.678 -8.769 23.533 1.00 0.00 C ATOM 252 OE1 GLN A 16 -9.687 -8.231 23.987 1.00 0.00 O ATOM 253 NE2 GLN A 16 -7.497 -8.162 23.495 1.00 0.00 N ATOM 0 H GLN A 16 -7.393 -13.138 25.277 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.100 -12.907 23.033 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.757 -11.213 24.855 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.149 -10.901 24.231 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.175 -10.220 22.044 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.763 -10.440 22.753 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.687 -8.647 23.109 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.401 -7.211 23.851 1.00 0.00 H new ATOM 262 N THR A 17 -5.859 -12.593 22.458 1.00 0.00 N ATOM 263 CA THR A 17 -4.849 -12.624 21.406 1.00 0.00 C ATOM 264 C THR A 17 -4.716 -14.026 20.820 1.00 0.00 C ATOM 265 O THR A 17 -4.409 -14.190 19.639 1.00 0.00 O ATOM 266 CB THR A 17 -3.498 -12.158 21.953 1.00 0.00 C ATOM 267 OG1 THR A 17 -3.039 -13.033 22.969 1.00 0.00 O ATOM 268 CG2 THR A 17 -3.538 -10.761 22.535 1.00 0.00 C ATOM 0 H THR A 17 -5.483 -12.511 23.402 1.00 0.00 H new ATOM 0 HA THR A 17 -5.166 -11.947 20.613 1.00 0.00 H new ATOM 0 HB THR A 17 -2.824 -12.159 21.096 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.174 -12.719 23.305 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.548 -10.492 22.905 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.841 -10.054 21.763 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.253 -10.730 23.357 1.00 0.00 H new ATOM 276 N TRP A 18 -4.949 -15.035 21.653 1.00 0.00 N ATOM 277 CA TRP A 18 -4.856 -16.423 21.217 1.00 0.00 C ATOM 278 C TRP A 18 -5.857 -16.711 20.102 1.00 0.00 C ATOM 279 O TRP A 18 -5.601 -17.534 19.223 1.00 0.00 O ATOM 280 CB TRP A 18 -5.103 -17.367 22.395 1.00 0.00 C ATOM 281 CG TRP A 18 -4.670 -18.776 22.128 1.00 0.00 C ATOM 282 CD1 TRP A 18 -5.381 -19.741 21.474 1.00 0.00 C ATOM 283 CD2 TRP A 18 -3.430 -19.380 22.511 1.00 0.00 C ATOM 284 NE1 TRP A 18 -4.656 -20.908 21.426 1.00 0.00 N ATOM 285 CE2 TRP A 18 -3.456 -20.712 22.055 1.00 0.00 C ATOM 286 CE3 TRP A 18 -2.298 -18.924 23.193 1.00 0.00 C ATOM 287 CZ2 TRP A 18 -2.394 -21.590 22.260 1.00 0.00 C ATOM 288 CZ3 TRP A 18 -1.245 -19.797 23.396 1.00 0.00 C ATOM 289 CH2 TRP A 18 -1.300 -21.116 22.931 1.00 0.00 C ATOM 0 H TRP A 18 -5.204 -14.917 22.634 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.850 -16.590 20.831 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.572 -16.991 23.270 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.165 -17.361 22.639 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.368 -19.607 21.056 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.962 -21.779 20.992 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.247 -17.908 23.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.433 -22.608 21.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -0.366 -19.455 23.922 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.461 -21.773 23.106 1.00 0.00 H new ATOM 300 N GLN A 19 -6.997 -16.030 20.146 1.00 0.00 N ATOM 301 CA GLN A 19 -8.035 -16.213 19.138 1.00 0.00 C ATOM 302 C GLN A 19 -7.868 -15.216 17.996 1.00 0.00 C ATOM 303 O GLN A 19 -7.698 -15.604 16.840 1.00 0.00 O ATOM 304 CB GLN A 19 -9.420 -16.055 19.771 1.00 0.00 C ATOM 305 CG GLN A 19 -10.009 -17.361 20.278 1.00 0.00 C ATOM 306 CD GLN A 19 -11.523 -17.390 20.193 1.00 0.00 C ATOM 307 OE1 GLN A 19 -12.216 -16.970 21.120 1.00 0.00 O ATOM 308 NE2 GLN A 19 -12.044 -17.886 19.077 1.00 0.00 N ATOM 0 H GLN A 19 -7.226 -15.347 20.868 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.940 -17.220 18.732 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.353 -15.350 20.600 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.099 -15.621 19.037 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.600 -18.189 19.698 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.704 -17.515 21.313 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.432 -18.223 18.334 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.057 -17.930 18.963 1.00 0.00 H new ATOM 334 N PRO A 21 -6.100 -12.369 15.604 1.00 0.00 N ATOM 335 CA PRO A 21 -4.751 -12.216 15.047 1.00 0.00 C ATOM 336 C PRO A 21 -3.867 -11.321 15.911 1.00 0.00 C ATOM 337 O PRO A 21 -4.327 -10.740 16.893 1.00 0.00 O ATOM 338 CB PRO A 21 -4.999 -11.566 13.684 1.00 0.00 C ATOM 339 CG PRO A 21 -6.387 -11.966 13.320 1.00 0.00 C ATOM 340 CD PRO A 21 -7.146 -12.050 14.614 1.00 0.00 C ATOM 0 HA PRO A 21 -4.224 -13.168 14.989 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.901 -10.482 13.739 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.280 -11.914 12.943 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.840 -11.237 12.649 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.394 -12.924 12.801 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.647 -11.111 14.848 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.915 -12.822 14.579 1.00 0.00 H new ATOM 348 N GLU A 22 -2.597 -11.215 15.535 1.00 0.00 N ATOM 349 CA GLU A 22 -1.648 -10.391 16.275 1.00 0.00 C ATOM 350 C GLU A 22 -0.385 -10.147 15.456 1.00 0.00 C ATOM 351 O GLU A 22 0.710 -10.027 16.005 1.00 0.00 O ATOM 352 CB GLU A 22 -1.289 -11.058 17.603 1.00 0.00 C ATOM 353 CG GLU A 22 -1.102 -10.074 18.747 1.00 0.00 C ATOM 354 CD GLU A 22 0.093 -10.412 19.618 1.00 0.00 C ATOM 355 OE1 GLU A 22 0.819 -9.478 20.019 1.00 0.00 O ATOM 356 OE2 GLU A 22 0.302 -11.610 19.899 1.00 0.00 O ATOM 0 H GLU A 22 -2.201 -11.689 14.723 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.120 -9.429 16.476 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.074 -11.766 17.868 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.372 -11.633 17.475 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.979 -9.070 18.341 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.002 -10.061 19.361 1.00 0.00 H new ATOM 364 N HIS A 23 -0.544 -10.076 14.138 1.00 0.00 N ATOM 365 CA HIS A 23 0.583 -9.847 13.243 1.00 0.00 C ATOM 366 C HIS A 23 1.184 -8.462 13.469 1.00 0.00 C ATOM 367 O HIS A 23 0.466 -7.501 13.743 1.00 0.00 O ATOM 368 CB HIS A 23 0.143 -9.996 11.785 1.00 0.00 C ATOM 369 CG HIS A 23 0.662 -11.236 11.127 1.00 0.00 C ATOM 370 ND1 HIS A 23 1.029 -12.431 11.650 1.00 0.00 N flip ATOM 371 CD2 HIS A 23 0.858 -11.342 9.766 1.00 0.00 C flip ATOM 372 CE1 HIS A 23 1.434 -13.226 10.607 1.00 0.00 C flip ATOM 373 NE2 HIS A 23 1.322 -12.546 9.481 1.00 0.00 N flip ATOM 0 H HIS A 23 -1.443 -10.174 13.667 1.00 0.00 H new ATOM 0 HA HIS A 23 1.346 -10.594 13.461 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.946 -10.000 11.741 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.481 -9.127 11.221 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.663 -10.562 9.045 1.00 0.00 H new ATOM 0 HE1 HIS A 23 1.787 -14.243 10.693 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.554 -12.891 8.550 1.00 0.00 H new ATOM 382 N TYR A 24 2.504 -8.369 13.354 1.00 0.00 N ATOM 383 CA TYR A 24 3.201 -7.102 13.546 1.00 0.00 C ATOM 384 C TYR A 24 3.503 -6.439 12.206 1.00 0.00 C ATOM 385 O TYR A 24 4.387 -6.878 11.470 1.00 0.00 O ATOM 386 CB TYR A 24 4.499 -7.323 14.323 1.00 0.00 C ATOM 387 CG TYR A 24 4.822 -6.211 15.294 1.00 0.00 C ATOM 388 CD1 TYR A 24 4.005 -5.960 16.390 1.00 0.00 C ATOM 389 CD2 TYR A 24 5.943 -5.410 15.116 1.00 0.00 C ATOM 390 CE1 TYR A 24 4.296 -4.944 17.280 1.00 0.00 C ATOM 391 CE2 TYR A 24 6.241 -4.392 16.002 1.00 0.00 C ATOM 392 CZ TYR A 24 5.415 -4.163 17.082 1.00 0.00 C ATOM 393 OH TYR A 24 5.708 -3.150 17.965 1.00 0.00 O ATOM 0 H TYR A 24 3.113 -9.156 13.129 1.00 0.00 H new ATOM 0 HA TYR A 24 2.551 -6.441 14.119 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.429 -8.263 14.871 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.322 -7.427 13.616 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.128 -6.570 16.549 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.592 -5.586 14.271 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.650 -4.762 18.126 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.117 -3.779 15.849 1.00 0.00 H new ATOM 0 HH TYR A 24 6.530 -2.697 17.682 1.00 0.00 H new ATOM 403 N ASP A 25 2.764 -5.379 11.897 1.00 0.00 N ATOM 404 CA ASP A 25 2.953 -4.654 10.646 1.00 0.00 C ATOM 405 C ASP A 25 3.695 -3.342 10.883 1.00 0.00 C ATOM 406 O ASP A 25 3.444 -2.646 11.866 1.00 0.00 O ATOM 407 CB ASP A 25 1.602 -4.376 9.984 1.00 0.00 C ATOM 408 CG ASP A 25 1.665 -4.481 8.473 1.00 0.00 C ATOM 409 OD1 ASP A 25 2.224 -3.563 7.837 1.00 0.00 O ATOM 410 OD2 ASP A 25 1.155 -5.482 7.927 1.00 0.00 O ATOM 0 H ASP A 25 2.029 -5.003 12.496 1.00 0.00 H new ATOM 0 HA ASP A 25 3.554 -5.276 9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.863 -5.081 10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.263 -3.378 10.262 1.00 0.00 H new ATOM 416 N LEU A 26 4.610 -3.013 9.977 1.00 0.00 N ATOM 417 CA LEU A 26 5.389 -1.786 10.089 1.00 0.00 C ATOM 418 C LEU A 26 5.544 -1.114 8.728 1.00 0.00 C ATOM 419 O LEU A 26 6.190 -1.652 7.829 1.00 0.00 O ATOM 420 CB LEU A 26 6.766 -2.084 10.684 1.00 0.00 C ATOM 421 CG LEU A 26 7.536 -0.858 11.180 1.00 0.00 C ATOM 422 CD1 LEU A 26 7.178 -0.554 12.626 1.00 0.00 C ATOM 423 CD2 LEU A 26 9.034 -1.077 11.035 1.00 0.00 C ATOM 0 H LEU A 26 4.830 -3.579 9.157 1.00 0.00 H new ATOM 0 HA LEU A 26 4.855 -1.105 10.751 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.643 -2.778 11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.368 -2.592 9.931 1.00 0.00 H new ATOM 0 HG LEU A 26 7.253 -0.001 10.569 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.735 0.321 12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.109 -0.355 12.702 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.433 -1.409 13.252 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.567 -0.196 11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.333 -1.945 11.622 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.277 -1.247 9.986 1.00 0.00 H new ATOM 435 N TYR A 27 4.948 0.065 8.585 1.00 0.00 N ATOM 436 CA TYR A 27 5.019 0.811 7.335 1.00 0.00 C ATOM 437 C TYR A 27 6.084 1.901 7.412 1.00 0.00 C ATOM 438 O TYR A 27 6.070 2.731 8.320 1.00 0.00 O ATOM 439 CB TYR A 27 3.659 1.431 7.007 1.00 0.00 C ATOM 440 CG TYR A 27 2.842 0.618 6.028 1.00 0.00 C ATOM 441 CD1 TYR A 27 2.173 -0.528 6.436 1.00 0.00 C ATOM 442 CD2 TYR A 27 2.740 0.998 4.696 1.00 0.00 C ATOM 443 CE1 TYR A 27 1.425 -1.274 5.544 1.00 0.00 C ATOM 444 CE2 TYR A 27 1.995 0.259 3.798 1.00 0.00 C ATOM 445 CZ TYR A 27 1.339 -0.875 4.226 1.00 0.00 C ATOM 446 OH TYR A 27 0.596 -1.614 3.335 1.00 0.00 O ATOM 0 H TYR A 27 4.410 0.524 9.320 1.00 0.00 H new ATOM 0 HA TYR A 27 5.293 0.116 6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.091 1.550 7.930 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.814 2.429 6.597 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.238 -0.842 7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.252 1.886 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.911 -2.164 5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.927 0.568 2.765 1.00 0.00 H new ATOM 0 HH TYR A 27 0.913 -1.442 2.424 1.00 0.00 H new ATOM 456 N ILE A 28 7.005 1.891 6.454 1.00 0.00 N ATOM 457 CA ILE A 28 8.076 2.878 6.414 1.00 0.00 C ATOM 458 C ILE A 28 8.662 2.998 5.009 1.00 0.00 C ATOM 459 O ILE A 28 8.705 2.021 4.261 1.00 0.00 O ATOM 460 CB ILE A 28 9.206 2.522 7.399 1.00 0.00 C ATOM 461 CG1 ILE A 28 9.618 1.058 7.230 1.00 0.00 C ATOM 462 CG2 ILE A 28 8.767 2.795 8.830 1.00 0.00 C ATOM 463 CD1 ILE A 28 10.795 0.658 8.094 1.00 0.00 C ATOM 0 H ILE A 28 7.031 1.210 5.695 1.00 0.00 H new ATOM 0 HA ILE A 28 7.637 3.832 6.705 1.00 0.00 H new ATOM 0 HB ILE A 28 10.070 3.149 7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.768 0.420 7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.867 0.877 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.576 2.539 9.514 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.520 3.851 8.940 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.890 2.191 9.063 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.032 -0.392 7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.659 1.271 7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.543 0.806 9.144 1.00 0.00 H new ATOM 475 N PRO A 29 9.122 4.204 4.630 1.00 0.00 N ATOM 476 CA PRO A 29 9.707 4.445 3.306 1.00 0.00 C ATOM 477 C PRO A 29 10.836 3.471 2.987 1.00 0.00 C ATOM 478 O PRO A 29 11.087 2.527 3.737 1.00 0.00 O ATOM 479 CB PRO A 29 10.247 5.873 3.407 1.00 0.00 C ATOM 480 CG PRO A 29 9.431 6.514 4.476 1.00 0.00 C ATOM 481 CD PRO A 29 9.109 5.423 5.459 1.00 0.00 C ATOM 0 HA PRO A 29 8.977 4.308 2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.307 5.878 3.662 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.144 6.403 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.982 7.322 4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.521 6.950 4.064 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.847 5.373 6.260 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.138 5.579 5.929 1.00 0.00 H new ATOM 489 N ALA A 30 11.514 3.706 1.868 1.00 0.00 N ATOM 490 CA ALA A 30 12.616 2.849 1.449 1.00 0.00 C ATOM 491 C ALA A 30 13.768 3.676 0.885 1.00 0.00 C ATOM 492 O ALA A 30 14.035 3.649 -0.317 1.00 0.00 O ATOM 493 CB ALA A 30 12.136 1.835 0.421 1.00 0.00 C ATOM 0 H ALA A 30 11.319 4.482 1.236 1.00 0.00 H new ATOM 0 HA ALA A 30 12.982 2.313 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.970 1.202 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.352 1.217 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.742 2.359 -0.450 1.00 0.00 H new ATOM 872 N TRP A 52 12.261 11.311 13.291 1.00 0.00 N ATOM 873 CA TRP A 52 11.953 9.886 13.289 1.00 0.00 C ATOM 874 C TRP A 52 10.448 9.654 13.369 1.00 0.00 C ATOM 875 O TRP A 52 9.716 10.455 13.952 1.00 0.00 O ATOM 876 CB TRP A 52 12.651 9.190 14.459 1.00 0.00 C ATOM 877 CG TRP A 52 14.119 8.987 14.238 1.00 0.00 C ATOM 878 CD1 TRP A 52 15.132 9.343 15.082 1.00 0.00 C ATOM 879 CD2 TRP A 52 14.739 8.382 13.098 1.00 0.00 C ATOM 880 NE1 TRP A 52 16.344 8.995 14.537 1.00 0.00 N ATOM 881 CE2 TRP A 52 16.130 8.405 13.319 1.00 0.00 C ATOM 882 CE3 TRP A 52 14.255 7.823 11.912 1.00 0.00 C ATOM 883 CZ2 TRP A 52 17.038 7.889 12.399 1.00 0.00 C ATOM 884 CZ3 TRP A 52 15.158 7.312 10.999 1.00 0.00 C ATOM 885 CH2 TRP A 52 16.536 7.347 11.247 1.00 0.00 C ATOM 0 HA TRP A 52 12.318 9.463 12.353 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.505 9.781 15.363 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.179 8.222 14.631 1.00 0.00 H new ATOM 0 HD1 TRP A 52 15.000 9.827 16.038 1.00 0.00 H new ATOM 0 HE1 TRP A 52 17.255 9.150 14.969 1.00 0.00 H new ATOM 0 HE3 TRP A 52 13.194 7.791 11.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 18.101 7.915 12.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.795 6.878 10.079 1.00 0.00 H new ATOM 0 HH2 TRP A 52 17.216 6.938 10.514 1.00 0.00 H new ATOM 896 N GLY A 53 9.992 8.554 12.780 1.00 0.00 N ATOM 897 CA GLY A 53 8.576 8.236 12.796 1.00 0.00 C ATOM 898 C GLY A 53 8.293 6.824 12.322 1.00 0.00 C ATOM 899 O GLY A 53 9.049 5.900 12.621 1.00 0.00 O ATOM 0 H GLY A 53 10.578 7.877 12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.190 8.360 13.808 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.041 8.943 12.162 1.00 0.00 H new ATOM 903 N GLY A 54 7.202 6.657 11.581 1.00 0.00 N ATOM 904 CA GLY A 54 6.842 5.345 11.076 1.00 0.00 C ATOM 905 C GLY A 54 5.402 4.982 11.381 1.00 0.00 C ATOM 906 O GLY A 54 4.664 5.778 11.961 1.00 0.00 O ATOM 0 H GLY A 54 6.561 7.407 11.321 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.000 5.318 9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.503 4.597 11.514 1.00 0.00 H new ATOM 910 N GLY A 55 5.003 3.776 10.990 1.00 0.00 N ATOM 911 CA GLY A 55 3.645 3.330 11.234 1.00 0.00 C ATOM 912 C GLY A 55 3.585 1.908 11.755 1.00 0.00 C ATOM 913 O GLY A 55 4.475 1.102 11.483 1.00 0.00 O ATOM 0 H GLY A 55 5.596 3.100 10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.171 3.997 11.954 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.072 3.399 10.309 1.00 0.00 H new ATOM 917 N PHE A 56 2.533 1.599 12.506 1.00 0.00 N ATOM 918 CA PHE A 56 2.359 0.264 13.067 1.00 0.00 C ATOM 919 C PHE A 56 0.883 -0.115 13.120 1.00 0.00 C ATOM 920 O PHE A 56 0.027 0.722 13.409 1.00 0.00 O ATOM 921 CB PHE A 56 2.967 0.196 14.469 1.00 0.00 C ATOM 922 CG PHE A 56 2.576 1.349 15.349 1.00 0.00 C ATOM 923 CD1 PHE A 56 3.219 2.571 15.238 1.00 0.00 C ATOM 924 CD2 PHE A 56 1.565 1.210 16.286 1.00 0.00 C ATOM 925 CE1 PHE A 56 2.861 3.634 16.045 1.00 0.00 C ATOM 926 CE2 PHE A 56 1.203 2.269 17.097 1.00 0.00 C ATOM 927 CZ PHE A 56 1.853 3.483 16.976 1.00 0.00 C ATOM 0 H PHE A 56 1.788 2.255 12.740 1.00 0.00 H new ATOM 0 HA PHE A 56 2.874 -0.446 12.420 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.659 -0.735 14.945 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.053 0.166 14.384 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.009 2.694 14.512 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.054 0.264 16.384 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.369 4.582 15.947 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.414 2.148 17.824 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.573 4.312 17.609 1.00 0.00 H new ATOM 937 N GLY A 57 0.592 -1.382 12.843 1.00 0.00 N ATOM 938 CA GLY A 57 -0.781 -1.848 12.865 1.00 0.00 C ATOM 939 C GLY A 57 -0.884 -3.357 12.759 1.00 0.00 C ATOM 940 O GLY A 57 0.098 -4.068 12.969 1.00 0.00 O ATOM 0 H GLY A 57 1.283 -2.094 12.604 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.258 -1.518 13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.330 -1.391 12.042 1.00 0.00 H new ATOM 944 N LEU A 58 -2.076 -3.845 12.433 1.00 0.00 N ATOM 945 CA LEU A 58 -2.304 -5.279 12.299 1.00 0.00 C ATOM 946 C LEU A 58 -2.940 -5.606 10.952 1.00 0.00 C ATOM 947 O LEU A 58 -3.230 -4.709 10.158 1.00 0.00 O ATOM 948 CB LEU A 58 -3.197 -5.783 13.434 1.00 0.00 C ATOM 949 CG LEU A 58 -2.476 -6.059 14.754 1.00 0.00 C ATOM 950 CD1 LEU A 58 -2.247 -4.766 15.518 1.00 0.00 C ATOM 951 CD2 LEU A 58 -3.269 -7.047 15.597 1.00 0.00 C ATOM 0 H LEU A 58 -2.899 -3.269 12.257 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.338 -5.782 12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.980 -5.047 13.613 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.689 -6.699 13.108 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.505 -6.500 14.531 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.733 -4.983 16.454 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.637 -4.091 14.917 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.206 -4.295 15.732 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.742 -7.232 16.533 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.254 -6.633 15.811 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.380 -7.984 15.051 1.00 0.00 H new ATOM 963 N SER A 59 -3.156 -6.892 10.700 1.00 0.00 N ATOM 964 CA SER A 59 -3.759 -7.336 9.449 1.00 0.00 C ATOM 965 C SER A 59 -4.428 -8.695 9.619 1.00 0.00 C ATOM 966 O SER A 59 -4.249 -9.362 10.639 1.00 0.00 O ATOM 967 CB SER A 59 -2.701 -7.410 8.347 1.00 0.00 C ATOM 968 OG SER A 59 -2.602 -6.179 7.651 1.00 0.00 O ATOM 0 H SER A 59 -2.922 -7.646 11.346 1.00 0.00 H new ATOM 0 HA SER A 59 -4.521 -6.610 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.735 -7.664 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.955 -8.207 7.648 1.00 0.00 H new ATOM 0 HG SER A 59 -2.744 -5.438 8.276 1.00 0.00 H new ATOM 974 N ARG A 60 -5.200 -9.100 8.616 1.00 0.00 N ATOM 975 CA ARG A 60 -5.896 -10.380 8.655 1.00 0.00 C ATOM 976 C ARG A 60 -5.701 -11.145 7.349 1.00 0.00 C ATOM 977 O ARG A 60 -5.467 -10.548 6.299 1.00 0.00 O ATOM 978 CB ARG A 60 -7.387 -10.166 8.917 1.00 0.00 C ATOM 979 CG ARG A 60 -7.680 -9.489 10.245 1.00 0.00 C ATOM 980 CD ARG A 60 -8.948 -8.651 10.175 1.00 0.00 C ATOM 981 NE ARG A 60 -9.565 -8.481 11.488 1.00 0.00 N ATOM 982 CZ ARG A 60 -10.566 -7.639 11.732 1.00 0.00 C ATOM 983 NH1 ARG A 60 -11.065 -6.888 10.757 1.00 0.00 N ATOM 984 NH2 ARG A 60 -11.072 -7.547 12.955 1.00 0.00 N ATOM 0 H ARG A 60 -5.359 -8.559 7.766 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.473 -10.971 9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.806 -9.563 8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.894 -11.130 8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.784 -10.244 11.024 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.839 -8.855 10.525 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.713 -7.673 9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.659 -9.126 9.499 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.208 -9.040 12.263 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.681 -6.955 9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.832 -6.245 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.694 -8.122 13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.839 -6.902 13.142 1.00 0.00 H new ATOM 998 N TRP A 61 -5.799 -12.468 7.425 1.00 0.00 N ATOM 999 CA TRP A 61 -5.634 -13.315 6.249 1.00 0.00 C ATOM 1000 C TRP A 61 -6.702 -14.403 6.209 1.00 0.00 C ATOM 1001 O TRP A 61 -6.949 -15.080 7.208 1.00 0.00 O ATOM 1002 CB TRP A 61 -4.242 -13.949 6.244 1.00 0.00 C ATOM 1003 CG TRP A 61 -3.921 -14.687 7.508 1.00 0.00 C ATOM 1004 CD1 TRP A 61 -4.112 -16.016 7.751 1.00 0.00 C ATOM 1005 CD2 TRP A 61 -3.354 -14.137 8.701 1.00 0.00 C ATOM 1006 NE1 TRP A 61 -3.698 -16.326 9.024 1.00 0.00 N ATOM 1007 CE2 TRP A 61 -3.228 -15.189 9.627 1.00 0.00 C ATOM 1008 CE3 TRP A 61 -2.938 -12.855 9.076 1.00 0.00 C ATOM 1009 CZ2 TRP A 61 -2.705 -15.000 10.904 1.00 0.00 C ATOM 1010 CZ3 TRP A 61 -2.419 -12.669 10.344 1.00 0.00 C ATOM 1011 CH2 TRP A 61 -2.306 -13.736 11.244 1.00 0.00 C ATOM 0 H TRP A 61 -5.992 -12.977 8.288 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.744 -12.690 5.362 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -4.167 -14.636 5.401 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -3.496 -13.170 6.087 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -4.528 -16.721 7.046 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.735 -17.252 9.451 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.021 -12.026 8.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.618 -15.821 11.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -2.095 -11.684 10.646 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.895 -13.558 12.227 1.00 0.00 H new ATOM 1022 N ASP A 62 -7.333 -14.565 5.052 1.00 0.00 N ATOM 1023 CA ASP A 62 -8.376 -15.571 4.884 1.00 0.00 C ATOM 1024 C ASP A 62 -8.014 -16.553 3.775 1.00 0.00 C ATOM 1025 O ASP A 62 -7.458 -16.168 2.746 1.00 0.00 O ATOM 1026 CB ASP A 62 -9.715 -14.902 4.571 1.00 0.00 C ATOM 1027 CG ASP A 62 -10.892 -15.669 5.139 1.00 0.00 C ATOM 1028 OD1 ASP A 62 -11.258 -16.712 4.556 1.00 0.00 O ATOM 1029 OD2 ASP A 62 -11.447 -15.229 6.167 1.00 0.00 O ATOM 0 H ASP A 62 -7.141 -14.013 4.216 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.464 -16.124 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.715 -13.890 4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.830 -14.814 3.491 1.00 0.00 H new ATOM 1035 N GLU A 63 -8.335 -17.826 3.995 1.00 0.00 N ATOM 1036 CA GLU A 63 -8.046 -18.873 3.020 1.00 0.00 C ATOM 1037 C GLU A 63 -8.711 -18.583 1.676 1.00 0.00 C ATOM 1038 O GLU A 63 -8.324 -19.146 0.652 1.00 0.00 O ATOM 1039 CB GLU A 63 -8.516 -20.229 3.549 1.00 0.00 C ATOM 1040 CG GLU A 63 -7.968 -21.411 2.764 1.00 0.00 C ATOM 1041 CD GLU A 63 -8.881 -22.619 2.817 1.00 0.00 C ATOM 1042 OE1 GLU A 63 -10.090 -22.439 3.077 1.00 0.00 O ATOM 1043 OE2 GLU A 63 -8.389 -23.746 2.599 1.00 0.00 O ATOM 0 H GLU A 63 -8.796 -18.157 4.842 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.967 -18.897 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.217 -20.326 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.605 -20.261 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.822 -21.116 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.989 -21.682 3.159 1.00 0.00 H new ATOM 1051 N LYS A 64 -9.711 -17.705 1.682 1.00 0.00 N ATOM 1052 CA LYS A 64 -10.422 -17.350 0.457 1.00 0.00 C ATOM 1053 C LYS A 64 -9.764 -16.160 -0.241 1.00 0.00 C ATOM 1054 O LYS A 64 -10.422 -15.422 -0.975 1.00 0.00 O ATOM 1055 CB LYS A 64 -11.883 -17.027 0.770 1.00 0.00 C ATOM 1056 CG LYS A 64 -12.738 -16.806 -0.468 1.00 0.00 C ATOM 1057 CD LYS A 64 -14.209 -17.067 -0.184 1.00 0.00 C ATOM 1058 CE LYS A 64 -15.095 -15.985 -0.782 1.00 0.00 C ATOM 1059 NZ LYS A 64 -16.394 -16.532 -1.261 1.00 0.00 N ATOM 0 H LYS A 64 -10.046 -17.228 2.519 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.378 -18.206 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.309 -17.842 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.923 -16.133 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.611 -15.783 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.399 -17.464 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.492 -18.037 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.369 -17.115 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.280 -15.213 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.574 -15.507 -1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.968 -15.763 -1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.220 -17.250 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.903 -16.965 -0.464 1.00 0.00 H new ATOM 1073 N GLY A 65 -8.467 -15.978 -0.011 1.00 0.00 N ATOM 1074 CA GLY A 65 -7.752 -14.878 -0.629 1.00 0.00 C ATOM 1075 C GLY A 65 -8.230 -13.526 -0.139 1.00 0.00 C ATOM 1076 O GLY A 65 -8.480 -12.622 -0.936 1.00 0.00 O ATOM 0 H GLY A 65 -7.899 -16.573 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.687 -14.980 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.873 -14.932 -1.711 1.00 0.00 H new ATOM 1080 N ASN A 66 -8.357 -13.385 1.177 1.00 0.00 N ATOM 1081 CA ASN A 66 -8.807 -12.131 1.770 1.00 0.00 C ATOM 1082 C ASN A 66 -7.797 -11.617 2.790 1.00 0.00 C ATOM 1083 O ASN A 66 -7.797 -12.040 3.946 1.00 0.00 O ATOM 1084 CB ASN A 66 -10.172 -12.316 2.435 1.00 0.00 C ATOM 1085 CG ASN A 66 -10.947 -11.016 2.537 1.00 0.00 C ATOM 1086 OD1 ASN A 66 -10.550 -10.099 3.253 1.00 0.00 O ATOM 1087 ND2 ASN A 66 -12.060 -10.933 1.816 1.00 0.00 N ATOM 0 H ASN A 66 -8.155 -14.123 1.852 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.897 -11.394 0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.755 -13.040 1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.033 -12.732 3.433 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.623 -10.083 1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.351 -11.719 1.235 1.00 0.00 H new ATOM 1094 N TRP A 67 -6.936 -10.702 2.355 1.00 0.00 N ATOM 1095 CA TRP A 67 -5.920 -10.131 3.232 1.00 0.00 C ATOM 1096 C TRP A 67 -6.310 -8.725 3.673 1.00 0.00 C ATOM 1097 O TRP A 67 -6.019 -7.745 2.988 1.00 0.00 O ATOM 1098 CB TRP A 67 -4.564 -10.099 2.524 1.00 0.00 C ATOM 1099 CG TRP A 67 -3.407 -9.966 3.466 1.00 0.00 C ATOM 1100 CD1 TRP A 67 -3.404 -9.336 4.677 1.00 0.00 C ATOM 1101 CD2 TRP A 67 -2.081 -10.473 3.274 1.00 0.00 C ATOM 1102 NE1 TRP A 67 -2.159 -9.421 5.250 1.00 0.00 N ATOM 1103 CE2 TRP A 67 -1.329 -10.114 4.408 1.00 0.00 C ATOM 1104 CE3 TRP A 67 -1.458 -11.196 2.253 1.00 0.00 C ATOM 1105 CZ2 TRP A 67 0.014 -10.455 4.549 1.00 0.00 C ATOM 1106 CZ3 TRP A 67 -0.125 -11.533 2.395 1.00 0.00 C ATOM 1107 CH2 TRP A 67 0.598 -11.163 3.535 1.00 0.00 C ATOM 0 H TRP A 67 -6.922 -10.341 1.401 1.00 0.00 H new ATOM 0 HA TRP A 67 -5.844 -10.762 4.118 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.445 -11.012 1.940 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.549 -9.266 1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -4.257 -8.843 5.120 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.895 -9.032 6.155 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.008 -11.486 1.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.574 -10.171 5.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.367 -12.092 1.613 1.00 0.00 H new ATOM 0 HH2 TRP A 67 1.638 -11.442 3.616 1.00 0.00 H new ATOM 1118 N HIS A 68 -6.971 -8.633 4.822 1.00 0.00 N ATOM 1119 CA HIS A 68 -7.401 -7.346 5.356 1.00 0.00 C ATOM 1120 C HIS A 68 -6.203 -6.514 5.803 1.00 0.00 C ATOM 1121 O HIS A 68 -5.227 -7.047 6.329 1.00 0.00 O ATOM 1122 CB HIS A 68 -8.359 -7.553 6.531 1.00 0.00 C ATOM 1123 CG HIS A 68 -9.352 -6.445 6.696 1.00 0.00 C ATOM 1124 ND1 HIS A 68 -9.729 -5.749 7.795 1.00 0.00 N flip ATOM 1125 CD2 HIS A 68 -10.091 -5.935 5.650 1.00 0.00 C flip ATOM 1126 CE1 HIS A 68 -10.678 -4.840 7.395 1.00 0.00 C flip ATOM 1127 NE2 HIS A 68 -10.878 -4.972 6.097 1.00 0.00 N flip ATOM 0 H HIS A 68 -7.221 -9.434 5.401 1.00 0.00 H new ATOM 0 HA HIS A 68 -7.919 -6.807 4.563 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -8.895 -8.492 6.391 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.779 -7.650 7.449 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -10.035 -6.270 4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -11.179 -4.132 8.038 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -11.529 -4.424 5.535 1.00 0.00 H new ATOM 1136 N GLY A 69 -6.285 -5.205 5.587 1.00 0.00 N ATOM 1137 CA GLY A 69 -5.202 -4.320 5.974 1.00 0.00 C ATOM 1138 C GLY A 69 -5.676 -3.158 6.822 1.00 0.00 C ATOM 1139 O GLY A 69 -6.497 -2.353 6.383 1.00 0.00 O ATOM 0 H GLY A 69 -7.082 -4.741 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.454 -4.888 6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.713 -3.936 5.078 1.00 0.00 H new ATOM 1143 N LEU A 70 -5.158 -3.069 8.043 1.00 0.00 N ATOM 1144 CA LEU A 70 -5.534 -1.996 8.957 1.00 0.00 C ATOM 1145 C LEU A 70 -4.343 -1.567 9.809 1.00 0.00 C ATOM 1146 O LEU A 70 -3.846 -2.335 10.633 1.00 0.00 O ATOM 1147 CB LEU A 70 -6.686 -2.445 9.858 1.00 0.00 C ATOM 1148 CG LEU A 70 -8.084 -2.117 9.333 1.00 0.00 C ATOM 1149 CD1 LEU A 70 -9.082 -3.176 9.773 1.00 0.00 C ATOM 1150 CD2 LEU A 70 -8.521 -0.739 9.808 1.00 0.00 C ATOM 0 H LEU A 70 -4.477 -3.727 8.422 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.860 -1.142 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.613 -3.523 10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.564 -1.981 10.837 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.050 -2.111 8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.071 -2.925 9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.777 -4.147 9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.114 -3.216 10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.518 -0.522 9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.538 -0.718 10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.820 0.011 9.442 1.00 0.00 H new ATOM 1162 N TYR A 71 -3.891 -0.333 9.606 1.00 0.00 N ATOM 1163 CA TYR A 71 -2.759 0.198 10.355 1.00 0.00 C ATOM 1164 C TYR A 71 -2.857 1.715 10.484 1.00 0.00 C ATOM 1165 O TYR A 71 -3.628 2.359 9.773 1.00 0.00 O ATOM 1166 CB TYR A 71 -1.444 -0.184 9.675 1.00 0.00 C ATOM 1167 CG TYR A 71 -1.414 0.127 8.196 1.00 0.00 C ATOM 1168 CD1 TYR A 71 -1.846 -0.807 7.261 1.00 0.00 C ATOM 1169 CD2 TYR A 71 -0.953 1.353 7.733 1.00 0.00 C ATOM 1170 CE1 TYR A 71 -1.818 -0.526 5.908 1.00 0.00 C ATOM 1171 CE2 TYR A 71 -0.923 1.640 6.382 1.00 0.00 C ATOM 1172 CZ TYR A 71 -1.357 0.698 5.474 1.00 0.00 C ATOM 1173 OH TYR A 71 -1.329 0.981 4.128 1.00 0.00 O ATOM 0 H TYR A 71 -4.292 0.317 8.929 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.781 -0.237 11.354 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -0.625 0.343 10.165 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.268 -1.250 9.817 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.209 -1.767 7.597 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.612 2.094 8.441 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.156 -1.262 5.194 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.561 2.598 6.039 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.498 0.637 3.739 1.00 0.00 H new ATOM 1183 N ALA A 72 -2.070 2.278 11.394 1.00 0.00 N ATOM 1184 CA ALA A 72 -2.069 3.719 11.616 1.00 0.00 C ATOM 1185 C ALA A 72 -0.646 4.261 11.697 1.00 0.00 C ATOM 1186 O ALA A 72 0.134 3.857 12.560 1.00 0.00 O ATOM 1187 CB ALA A 72 -2.839 4.059 12.883 1.00 0.00 C ATOM 0 H ALA A 72 -1.425 1.759 11.990 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.562 4.193 10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.830 5.138 13.036 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.869 3.715 12.786 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.371 3.568 13.736 1.00 0.00 H new ATOM 1193 N MET A 73 -0.316 5.178 10.793 1.00 0.00 N ATOM 1194 CA MET A 73 1.014 5.776 10.764 1.00 0.00 C ATOM 1195 C MET A 73 1.071 7.014 11.653 1.00 0.00 C ATOM 1196 O MET A 73 0.042 7.509 12.113 1.00 0.00 O ATOM 1197 CB MET A 73 1.399 6.146 9.330 1.00 0.00 C ATOM 1198 CG MET A 73 1.478 4.950 8.394 1.00 0.00 C ATOM 1199 SD MET A 73 0.139 4.920 7.187 1.00 0.00 S ATOM 1200 CE MET A 73 0.966 5.590 5.747 1.00 0.00 C ATOM 0 H MET A 73 -0.950 5.523 10.072 1.00 0.00 H new ATOM 0 HA MET A 73 1.724 5.042 11.145 1.00 0.00 H new ATOM 0 HB2 MET A 73 0.670 6.856 8.939 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.364 6.653 9.341 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.434 4.967 7.870 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.453 4.032 8.981 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.266 5.635 4.913 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.329 6.593 5.970 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.807 4.950 5.480 1.00 0.00 H new ATOM 1210 N ALA A 74 2.281 7.508 11.893 1.00 0.00 N ATOM 1211 CA ALA A 74 2.472 8.689 12.726 1.00 0.00 C ATOM 1212 C ALA A 74 3.734 9.445 12.327 1.00 0.00 C ATOM 1213 O ALA A 74 4.773 8.841 12.061 1.00 0.00 O ATOM 1214 CB ALA A 74 2.534 8.293 14.194 1.00 0.00 C ATOM 0 H ALA A 74 3.143 7.109 11.523 1.00 0.00 H new ATOM 0 HA ALA A 74 1.620 9.352 12.574 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.677 9.184 14.805 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.603 7.803 14.478 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.367 7.608 14.351 1.00 0.00 H new ATOM 1220 N PHE A 75 3.638 10.770 12.286 1.00 0.00 N ATOM 1221 CA PHE A 75 4.773 11.607 11.919 1.00 0.00 C ATOM 1222 C PHE A 75 5.011 12.690 12.968 1.00 0.00 C ATOM 1223 O PHE A 75 4.072 13.336 13.430 1.00 0.00 O ATOM 1224 CB PHE A 75 4.540 12.248 10.549 1.00 0.00 C ATOM 1225 CG PHE A 75 5.259 11.548 9.430 1.00 0.00 C ATOM 1226 CD1 PHE A 75 4.882 10.274 9.038 1.00 0.00 C ATOM 1227 CD2 PHE A 75 6.310 12.166 8.772 1.00 0.00 C ATOM 1228 CE1 PHE A 75 5.542 9.628 8.009 1.00 0.00 C ATOM 1229 CE2 PHE A 75 6.973 11.525 7.743 1.00 0.00 C ATOM 1230 CZ PHE A 75 6.589 10.255 7.361 1.00 0.00 C ATOM 0 H PHE A 75 2.786 11.287 12.503 1.00 0.00 H new ATOM 0 HA PHE A 75 5.659 10.974 11.869 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.471 12.253 10.336 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.863 13.288 10.584 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.064 9.780 9.541 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.614 13.159 9.067 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.240 8.635 7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.791 12.017 7.238 1.00 0.00 H new ATOM 0 HZ PHE A 75 7.106 9.752 6.557 1.00 0.00 H new ATOM 1240 N LYS A 76 6.273 12.880 13.338 1.00 0.00 N ATOM 1241 CA LYS A 76 6.634 13.884 14.333 1.00 0.00 C ATOM 1242 C LYS A 76 6.755 15.264 13.695 1.00 0.00 C ATOM 1243 O LYS A 76 7.178 15.393 12.547 1.00 0.00 O ATOM 1244 CB LYS A 76 7.951 13.507 15.014 1.00 0.00 C ATOM 1245 CG LYS A 76 7.995 13.862 16.492 1.00 0.00 C ATOM 1246 CD LYS A 76 9.027 14.940 16.779 1.00 0.00 C ATOM 1247 CE LYS A 76 9.246 15.118 18.273 1.00 0.00 C ATOM 1248 NZ LYS A 76 10.435 14.360 18.754 1.00 0.00 N ATOM 0 H LYS A 76 7.062 12.353 12.965 1.00 0.00 H new ATOM 0 HA LYS A 76 5.842 13.918 15.082 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.115 12.435 14.901 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.772 14.011 14.503 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.011 14.204 16.814 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.228 12.970 17.074 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.971 14.678 16.300 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.700 15.884 16.343 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.375 16.177 18.497 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.360 14.784 18.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.550 14.507 19.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.301 13.346 18.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.285 14.696 18.258 1.00 0.00 H new ATOM 1262 N ASP A 77 6.380 16.293 14.448 1.00 0.00 N ATOM 1263 CA ASP A 77 6.445 17.665 13.957 1.00 0.00 C ATOM 1264 C ASP A 77 7.521 18.457 14.692 1.00 0.00 C ATOM 1265 O ASP A 77 8.251 17.912 15.520 1.00 0.00 O ATOM 1266 CB ASP A 77 5.088 18.352 14.121 1.00 0.00 C ATOM 1267 CG ASP A 77 4.214 18.208 12.889 1.00 0.00 C ATOM 1268 OD1 ASP A 77 2.984 18.072 13.047 1.00 0.00 O ATOM 1269 OD2 ASP A 77 4.763 18.233 11.767 1.00 0.00 O ATOM 0 H ASP A 77 6.028 16.203 15.401 1.00 0.00 H new ATOM 0 HA ASP A 77 6.703 17.633 12.899 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.571 17.928 14.982 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.243 19.410 14.332 1.00 0.00 H new ATOM 1275 N SER A 78 7.614 19.746 14.383 1.00 0.00 N ATOM 1276 CA SER A 78 8.600 20.615 15.015 1.00 0.00 C ATOM 1277 C SER A 78 8.097 21.131 16.360 1.00 0.00 C ATOM 1278 O SER A 78 8.887 21.424 17.257 1.00 0.00 O ATOM 1279 CB SER A 78 8.933 21.793 14.097 1.00 0.00 C ATOM 1280 OG SER A 78 7.763 22.318 13.496 1.00 0.00 O ATOM 0 H SER A 78 7.018 20.212 13.699 1.00 0.00 H new ATOM 0 HA SER A 78 9.502 20.029 15.189 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.433 22.574 14.670 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.629 21.470 13.323 1.00 0.00 H new ATOM 0 HG SER A 78 8.003 23.071 12.916 1.00 0.00 H new ATOM 1286 N TRP A 79 6.778 21.239 16.493 1.00 0.00 N ATOM 1287 CA TRP A 79 6.174 21.719 17.730 1.00 0.00 C ATOM 1288 C TRP A 79 4.937 20.899 18.082 1.00 0.00 C ATOM 1289 O TRP A 79 4.767 20.473 19.224 1.00 0.00 O ATOM 1290 CB TRP A 79 5.800 23.197 17.599 1.00 0.00 C ATOM 1291 CG TRP A 79 5.227 23.779 18.856 1.00 0.00 C ATOM 1292 CD1 TRP A 79 5.526 23.417 20.137 1.00 0.00 C ATOM 1293 CD2 TRP A 79 4.255 24.826 18.951 1.00 0.00 C ATOM 1294 NE1 TRP A 79 4.799 24.174 21.024 1.00 0.00 N ATOM 1295 CE2 TRP A 79 4.012 25.047 20.320 1.00 0.00 C ATOM 1296 CE3 TRP A 79 3.567 25.600 18.011 1.00 0.00 C ATOM 1297 CZ2 TRP A 79 3.110 26.008 20.769 1.00 0.00 C ATOM 1298 CZ3 TRP A 79 2.672 26.554 18.459 1.00 0.00 C ATOM 1299 CH2 TRP A 79 2.451 26.751 19.828 1.00 0.00 C ATOM 0 H TRP A 79 6.109 21.001 15.761 1.00 0.00 H new ATOM 0 HA TRP A 79 6.904 21.606 18.531 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.686 23.765 17.315 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.077 23.311 16.792 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.231 22.647 20.414 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.839 24.098 22.040 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.732 25.455 16.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.937 26.162 21.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.135 27.157 17.742 1.00 0.00 H new ATOM 0 HH2 TRP A 79 1.746 27.505 20.147 1.00 0.00 H new ATOM 1310 N ASN A 80 4.077 20.682 17.093 1.00 0.00 N ATOM 1311 CA ASN A 80 2.856 19.913 17.297 1.00 0.00 C ATOM 1312 C ASN A 80 3.178 18.505 17.790 1.00 0.00 C ATOM 1313 O ASN A 80 4.303 18.223 18.203 1.00 0.00 O ATOM 1314 CB ASN A 80 2.050 19.846 15.996 1.00 0.00 C ATOM 1315 CG ASN A 80 0.694 20.514 16.120 1.00 0.00 C ATOM 1316 OD1 ASN A 80 -0.002 20.351 17.122 1.00 0.00 O ATOM 1317 ND2 ASN A 80 0.313 21.272 15.098 1.00 0.00 N ATOM 0 H ASN A 80 4.203 21.028 16.142 1.00 0.00 H new ATOM 0 HA ASN A 80 2.259 20.414 18.058 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.616 20.324 15.196 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.913 18.803 15.710 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.589 21.747 15.124 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.923 21.379 14.287 1.00 0.00 H new ATOM 1324 N LYS A 81 2.183 17.625 17.744 1.00 0.00 N ATOM 1325 CA LYS A 81 2.361 16.247 18.186 1.00 0.00 C ATOM 1326 C LYS A 81 2.376 15.292 16.998 1.00 0.00 C ATOM 1327 O LYS A 81 2.213 15.710 15.851 1.00 0.00 O ATOM 1328 CB LYS A 81 1.247 15.854 19.158 1.00 0.00 C ATOM 1329 CG LYS A 81 1.090 16.814 20.325 1.00 0.00 C ATOM 1330 CD LYS A 81 0.005 16.351 21.285 1.00 0.00 C ATOM 1331 CE LYS A 81 0.554 15.383 22.321 1.00 0.00 C ATOM 1332 NZ LYS A 81 -0.115 15.546 23.641 1.00 0.00 N ATOM 0 H LYS A 81 1.246 17.842 17.405 1.00 0.00 H new ATOM 0 HA LYS A 81 3.321 16.177 18.697 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.304 15.800 18.614 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.450 14.855 19.545 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.037 16.899 20.858 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.846 17.808 19.950 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.431 17.215 21.787 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.797 15.870 20.725 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.420 14.360 21.969 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.626 15.543 22.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.287 14.869 24.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.035 16.515 23.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.135 15.369 23.538 1.00 0.00 H new ATOM 1346 N TRP A 82 2.570 14.008 17.280 1.00 0.00 N ATOM 1347 CA TRP A 82 2.605 12.992 16.233 1.00 0.00 C ATOM 1348 C TRP A 82 1.287 12.955 15.468 1.00 0.00 C ATOM 1349 O TRP A 82 0.271 12.491 15.985 1.00 0.00 O ATOM 1350 CB TRP A 82 2.897 11.618 16.837 1.00 0.00 C ATOM 1351 CG TRP A 82 4.128 11.592 17.691 1.00 0.00 C ATOM 1352 CD1 TRP A 82 5.205 12.426 17.602 1.00 0.00 C ATOM 1353 CD2 TRP A 82 4.410 10.685 18.763 1.00 0.00 C ATOM 1354 NE1 TRP A 82 6.139 12.094 18.554 1.00 0.00 N ATOM 1355 CE2 TRP A 82 5.674 11.029 19.279 1.00 0.00 C ATOM 1356 CE3 TRP A 82 3.716 9.616 19.337 1.00 0.00 C ATOM 1357 CZ2 TRP A 82 6.256 10.341 20.340 1.00 0.00 C ATOM 1358 CZ3 TRP A 82 4.295 8.934 20.391 1.00 0.00 C ATOM 1359 CH2 TRP A 82 5.555 9.300 20.883 1.00 0.00 C ATOM 0 H TRP A 82 2.705 13.646 18.224 1.00 0.00 H new ATOM 0 HA TRP A 82 3.402 13.251 15.536 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.042 11.303 17.436 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.007 10.892 16.032 1.00 0.00 H new ATOM 0 HD1 TRP A 82 5.308 13.229 16.888 1.00 0.00 H new ATOM 0 HE1 TRP A 82 7.033 12.564 18.697 1.00 0.00 H new ATOM 0 HE3 TRP A 82 2.744 9.328 18.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 7.227 10.620 20.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.768 8.106 20.842 1.00 0.00 H new ATOM 0 HH2 TRP A 82 5.981 8.749 21.708 1.00 0.00 H new ATOM 1370 N GLU A 83 1.311 13.447 14.233 1.00 0.00 N ATOM 1371 CA GLU A 83 0.116 13.470 13.398 1.00 0.00 C ATOM 1372 C GLU A 83 -0.377 12.051 13.116 1.00 0.00 C ATOM 1373 O GLU A 83 0.377 11.214 12.619 1.00 0.00 O ATOM 1374 CB GLU A 83 0.404 14.193 12.080 1.00 0.00 C ATOM 1375 CG GLU A 83 1.556 13.590 11.295 1.00 0.00 C ATOM 1376 CD GLU A 83 2.381 14.638 10.574 1.00 0.00 C ATOM 1377 OE1 GLU A 83 1.985 15.044 9.461 1.00 0.00 O ATOM 1378 OE2 GLU A 83 3.423 15.054 11.123 1.00 0.00 O ATOM 0 H GLU A 83 2.144 13.834 13.789 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.664 14.007 13.937 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.494 14.176 11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.627 15.239 12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.199 13.030 11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.163 12.879 10.568 1.00 0.00 H new ATOM 1386 N PRO A 84 -1.653 11.758 13.432 1.00 0.00 N ATOM 1387 CA PRO A 84 -2.235 10.434 13.210 1.00 0.00 C ATOM 1388 C PRO A 84 -2.682 10.228 11.767 1.00 0.00 C ATOM 1389 O PRO A 84 -3.193 11.148 11.127 1.00 0.00 O ATOM 1390 CB PRO A 84 -3.438 10.433 14.148 1.00 0.00 C ATOM 1391 CG PRO A 84 -3.874 11.857 14.193 1.00 0.00 C ATOM 1392 CD PRO A 84 -2.627 12.691 14.033 1.00 0.00 C ATOM 0 HA PRO A 84 -1.521 9.632 13.398 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.232 9.786 13.775 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.169 10.068 15.139 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.588 12.070 13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.372 12.081 15.136 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.803 13.554 13.391 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.276 13.073 14.991 1.00 0.00 H new ATOM 1400 N ILE A 85 -2.490 9.014 11.261 1.00 0.00 N ATOM 1401 CA ILE A 85 -2.878 8.686 9.894 1.00 0.00 C ATOM 1402 C ILE A 85 -3.467 7.281 9.816 1.00 0.00 C ATOM 1403 O ILE A 85 -2.786 6.296 10.099 1.00 0.00 O ATOM 1404 CB ILE A 85 -1.679 8.781 8.931 1.00 0.00 C ATOM 1405 CG1 ILE A 85 -0.948 10.112 9.120 1.00 0.00 C ATOM 1406 CG2 ILE A 85 -2.142 8.624 7.490 1.00 0.00 C ATOM 1407 CD1 ILE A 85 0.261 10.015 10.025 1.00 0.00 C ATOM 0 H ILE A 85 -2.068 8.242 11.777 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.633 9.413 9.595 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.985 7.972 9.159 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.633 10.486 8.146 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.643 10.843 9.533 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.283 8.694 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.621 7.653 7.365 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.854 9.413 7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.729 10.995 10.113 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.050 9.671 11.012 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.976 9.308 9.603 1.00 0.00 H new ATOM 1419 N ALA A 86 -4.736 7.196 9.433 1.00 0.00 N ATOM 1420 CA ALA A 86 -5.416 5.912 9.320 1.00 0.00 C ATOM 1421 C ALA A 86 -5.483 5.450 7.869 1.00 0.00 C ATOM 1422 O ALA A 86 -5.564 6.264 6.950 1.00 0.00 O ATOM 1423 CB ALA A 86 -6.814 6.004 9.912 1.00 0.00 C ATOM 0 H ALA A 86 -5.315 8.002 9.195 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.842 5.174 9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.312 5.038 9.822 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.746 6.280 10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.388 6.760 9.375 1.00 0.00 H new ATOM 1429 N GLY A 87 -5.450 4.136 7.670 1.00 0.00 N ATOM 1430 CA GLY A 87 -5.508 3.586 6.329 1.00 0.00 C ATOM 1431 C GLY A 87 -5.801 2.099 6.324 1.00 0.00 C ATOM 1432 O GLY A 87 -5.228 1.344 7.109 1.00 0.00 O ATOM 0 H GLY A 87 -5.384 3.442 8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.278 4.107 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.559 3.768 5.824 1.00 0.00 H new ATOM 1436 N TYR A 88 -6.695 1.676 5.436 1.00 0.00 N ATOM 1437 CA TYR A 88 -7.063 0.268 5.332 1.00 0.00 C ATOM 1438 C TYR A 88 -7.622 -0.049 3.949 1.00 0.00 C ATOM 1439 O TYR A 88 -8.181 0.821 3.280 1.00 0.00 O ATOM 1440 CB TYR A 88 -8.091 -0.092 6.406 1.00 0.00 C ATOM 1441 CG TYR A 88 -9.351 0.742 6.344 1.00 0.00 C ATOM 1442 CD1 TYR A 88 -9.428 1.968 6.992 1.00 0.00 C ATOM 1443 CD2 TYR A 88 -10.463 0.303 5.636 1.00 0.00 C ATOM 1444 CE1 TYR A 88 -10.577 2.733 6.938 1.00 0.00 C ATOM 1445 CE2 TYR A 88 -11.616 1.063 5.577 1.00 0.00 C ATOM 1446 CZ TYR A 88 -11.668 2.276 6.230 1.00 0.00 C ATOM 1447 OH TYR A 88 -12.815 3.035 6.173 1.00 0.00 O ATOM 0 H TYR A 88 -7.178 2.288 4.778 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.164 -0.329 5.485 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.357 -1.144 6.304 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.634 0.028 7.388 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.575 2.329 7.547 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.426 -0.647 5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.620 3.684 7.448 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.472 0.708 5.022 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.488 2.570 5.633 1.00 0.00 H new ATOM 1457 N GLY A 89 -7.467 -1.299 3.526 1.00 0.00 N ATOM 1458 CA GLY A 89 -7.962 -1.708 2.225 1.00 0.00 C ATOM 1459 C GLY A 89 -7.852 -3.204 2.007 1.00 0.00 C ATOM 1460 O GLY A 89 -7.495 -3.947 2.921 1.00 0.00 O ATOM 0 H GLY A 89 -7.007 -2.036 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.004 -1.405 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.403 -1.188 1.447 1.00 0.00 H new ATOM 1464 N TRP A 90 -8.158 -3.647 0.792 1.00 0.00 N ATOM 1465 CA TRP A 90 -8.092 -5.064 0.455 1.00 0.00 C ATOM 1466 C TRP A 90 -6.783 -5.394 -0.255 1.00 0.00 C ATOM 1467 O TRP A 90 -6.270 -4.592 -1.036 1.00 0.00 O ATOM 1468 CB TRP A 90 -9.278 -5.456 -0.429 1.00 0.00 C ATOM 1469 CG TRP A 90 -9.464 -6.938 -0.553 1.00 0.00 C ATOM 1470 CD1 TRP A 90 -9.813 -7.807 0.440 1.00 0.00 C ATOM 1471 CD2 TRP A 90 -9.307 -7.724 -1.739 1.00 0.00 C ATOM 1472 NE1 TRP A 90 -9.886 -9.085 -0.056 1.00 0.00 N ATOM 1473 CE2 TRP A 90 -9.578 -9.061 -1.392 1.00 0.00 C ATOM 1474 CE3 TRP A 90 -8.964 -7.429 -3.062 1.00 0.00 C ATOM 1475 CZ2 TRP A 90 -9.518 -10.100 -2.318 1.00 0.00 C ATOM 1476 CZ3 TRP A 90 -8.905 -8.461 -3.981 1.00 0.00 C ATOM 1477 CH2 TRP A 90 -9.181 -9.781 -3.606 1.00 0.00 C ATOM 0 H TRP A 90 -8.454 -3.045 0.024 1.00 0.00 H new ATOM 0 HA TRP A 90 -8.135 -5.635 1.383 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -10.188 -5.016 -0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.137 -5.031 -1.423 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.004 -7.530 1.466 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -10.130 -9.917 0.482 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -8.749 -6.414 -3.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -9.729 -11.119 -2.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -8.641 -8.245 -5.006 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -9.127 -10.564 -4.348 1.00 0.00 H new ATOM 1488 N GLU A 91 -6.247 -6.579 0.021 1.00 0.00 N ATOM 1489 CA GLU A 91 -4.998 -7.013 -0.592 1.00 0.00 C ATOM 1490 C GLU A 91 -5.092 -8.464 -1.052 1.00 0.00 C ATOM 1491 O GLU A 91 -5.595 -9.325 -0.328 1.00 0.00 O ATOM 1492 CB GLU A 91 -3.839 -6.854 0.395 1.00 0.00 C ATOM 1493 CG GLU A 91 -3.557 -5.409 0.772 1.00 0.00 C ATOM 1494 CD GLU A 91 -2.899 -4.632 -0.352 1.00 0.00 C ATOM 1495 OE1 GLU A 91 -3.592 -3.814 -0.993 1.00 0.00 O ATOM 1496 OE2 GLU A 91 -1.691 -4.841 -0.590 1.00 0.00 O ATOM 0 H GLU A 91 -6.658 -7.255 0.665 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.814 -6.385 -1.464 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.062 -7.420 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.940 -7.290 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.491 -4.920 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.913 -5.386 1.651 1.00 0.00 H new ATOM 1504 N SER A 92 -4.604 -8.730 -2.260 1.00 0.00 N ATOM 1505 CA SER A 92 -4.634 -10.078 -2.817 1.00 0.00 C ATOM 1506 C SER A 92 -3.289 -10.437 -3.439 1.00 0.00 C ATOM 1507 O SER A 92 -2.730 -9.669 -4.222 1.00 0.00 O ATOM 1508 CB SER A 92 -5.742 -10.195 -3.866 1.00 0.00 C ATOM 1509 OG SER A 92 -5.449 -9.408 -5.007 1.00 0.00 O ATOM 0 H SER A 92 -4.183 -8.030 -2.871 1.00 0.00 H new ATOM 0 HA SER A 92 -4.838 -10.776 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.860 -11.238 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.691 -9.876 -3.434 1.00 0.00 H new ATOM 0 HG SER A 92 -4.905 -8.637 -4.742 1.00 0.00 H new ATOM 1515 N THR A 93 -2.773 -11.611 -3.085 1.00 0.00 N ATOM 1516 CA THR A 93 -1.492 -12.071 -3.609 1.00 0.00 C ATOM 1517 C THR A 93 -1.656 -13.381 -4.374 1.00 0.00 C ATOM 1518 O THR A 93 -2.509 -14.204 -4.041 1.00 0.00 O ATOM 1519 CB THR A 93 -0.489 -12.256 -2.469 1.00 0.00 C ATOM 1520 OG1 THR A 93 -1.026 -13.091 -1.459 1.00 0.00 O ATOM 1521 CG2 THR A 93 -0.078 -10.954 -1.818 1.00 0.00 C ATOM 0 H THR A 93 -3.222 -12.260 -2.438 1.00 0.00 H new ATOM 0 HA THR A 93 -1.116 -11.314 -4.297 1.00 0.00 H new ATOM 0 HB THR A 93 0.390 -12.708 -2.928 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.369 -13.198 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.634 -11.156 -1.018 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.386 -10.306 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.958 -10.460 -1.405 1.00 0.00 H new ATOM 1529 N TRP A 94 -0.833 -13.567 -5.401 1.00 0.00 N ATOM 1530 CA TRP A 94 -0.883 -14.777 -6.214 1.00 0.00 C ATOM 1531 C TRP A 94 0.464 -15.489 -6.213 1.00 0.00 C ATOM 1532 O TRP A 94 1.498 -14.885 -5.926 1.00 0.00 O ATOM 1533 CB TRP A 94 -1.291 -14.435 -7.649 1.00 0.00 C ATOM 1534 CG TRP A 94 -2.771 -14.268 -7.828 1.00 0.00 C ATOM 1535 CD1 TRP A 94 -3.755 -14.704 -6.988 1.00 0.00 C ATOM 1536 CD2 TRP A 94 -3.433 -13.620 -8.920 1.00 0.00 C ATOM 1537 NE1 TRP A 94 -4.988 -14.365 -7.490 1.00 0.00 N ATOM 1538 CE2 TRP A 94 -4.817 -13.699 -8.675 1.00 0.00 C ATOM 1539 CE3 TRP A 94 -2.990 -12.979 -10.081 1.00 0.00 C ATOM 1540 CZ2 TRP A 94 -5.760 -13.162 -9.548 1.00 0.00 C ATOM 1541 CZ3 TRP A 94 -3.927 -12.446 -10.946 1.00 0.00 C ATOM 1542 CH2 TRP A 94 -5.298 -12.540 -10.676 1.00 0.00 C ATOM 0 H TRP A 94 -0.123 -12.894 -5.690 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.627 -15.446 -5.781 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.791 -13.515 -7.951 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.939 -15.222 -8.316 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -3.588 -15.237 -6.064 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -5.885 -14.575 -7.052 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.935 -12.902 -10.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -6.818 -13.234 -9.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -3.596 -11.948 -11.846 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -6.005 -12.113 -11.372 1.00 0.00 H new ATOM 1553 N ARG A 95 0.446 -16.779 -6.535 1.00 0.00 N ATOM 1554 CA ARG A 95 1.668 -17.576 -6.571 1.00 0.00 C ATOM 1555 C ARG A 95 1.982 -18.029 -7.994 1.00 0.00 C ATOM 1556 O ARG A 95 1.079 -18.220 -8.809 1.00 0.00 O ATOM 1557 CB ARG A 95 1.534 -18.793 -5.655 1.00 0.00 C ATOM 1558 CG ARG A 95 0.434 -19.754 -6.077 1.00 0.00 C ATOM 1559 CD ARG A 95 0.972 -20.857 -6.974 1.00 0.00 C ATOM 1560 NE ARG A 95 0.060 -21.163 -8.074 1.00 0.00 N ATOM 1561 CZ ARG A 95 -1.035 -21.906 -7.945 1.00 0.00 C ATOM 1562 NH1 ARG A 95 -1.360 -22.422 -6.765 1.00 0.00 N ATOM 1563 NH2 ARG A 95 -1.810 -22.134 -8.997 1.00 0.00 N ATOM 0 H ARG A 95 -0.401 -17.295 -6.775 1.00 0.00 H new ATOM 0 HA ARG A 95 2.489 -16.952 -6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.484 -19.328 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.337 -18.452 -4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.025 -20.195 -5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.348 -19.206 -6.602 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.939 -20.556 -7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.140 -21.756 -6.382 1.00 0.00 H new ATOM 0 HE ARG A 95 0.276 -20.784 -8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.768 -22.249 -5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.201 -22.991 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.566 -21.739 -9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.650 -22.704 -8.898 1.00 0.00 H new ATOM 1577 N PRO A 96 3.276 -18.208 -8.315 1.00 0.00 N ATOM 1578 CA PRO A 96 3.707 -18.642 -9.648 1.00 0.00 C ATOM 1579 C PRO A 96 3.362 -20.102 -9.919 1.00 0.00 C ATOM 1580 O PRO A 96 2.868 -20.446 -10.993 1.00 0.00 O ATOM 1581 CB PRO A 96 5.223 -18.449 -9.610 1.00 0.00 C ATOM 1582 CG PRO A 96 5.583 -18.568 -8.169 1.00 0.00 C ATOM 1583 CD PRO A 96 4.418 -18.004 -7.403 1.00 0.00 C ATOM 0 HA PRO A 96 3.213 -18.080 -10.441 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.733 -19.203 -10.209 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.509 -17.476 -10.011 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.763 -19.608 -7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.498 -18.018 -7.949 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.272 -18.522 -6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.563 -16.949 -7.171 1.00 0.00 H new ATOM 1591 N LEU A 97 3.625 -20.958 -8.936 1.00 0.00 N ATOM 1592 CA LEU A 97 3.342 -22.382 -9.067 1.00 0.00 C ATOM 1593 C LEU A 97 3.662 -23.122 -7.771 1.00 0.00 C ATOM 1594 O LEU A 97 2.854 -23.906 -7.275 1.00 0.00 O ATOM 1595 CB LEU A 97 4.147 -22.982 -10.221 1.00 0.00 C ATOM 1596 CG LEU A 97 3.563 -24.260 -10.824 1.00 0.00 C ATOM 1597 CD1 LEU A 97 3.608 -25.395 -9.811 1.00 0.00 C ATOM 1598 CD2 LEU A 97 2.137 -24.022 -11.296 1.00 0.00 C ATOM 0 H LEU A 97 4.033 -20.690 -8.041 1.00 0.00 H new ATOM 0 HA LEU A 97 2.279 -22.496 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.235 -22.234 -11.009 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.156 -23.194 -9.868 1.00 0.00 H new ATOM 0 HG LEU A 97 4.168 -24.543 -11.685 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.189 -26.297 -10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.641 -25.581 -9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.026 -25.121 -8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.737 -24.942 -11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.520 -23.715 -10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.130 -23.238 -12.053 1.00 0.00 H new ATOM 1610 N ALA A 98 4.847 -22.863 -7.227 1.00 0.00 N ATOM 1611 CA ALA A 98 5.275 -23.501 -5.988 1.00 0.00 C ATOM 1612 C ALA A 98 4.301 -23.207 -4.852 1.00 0.00 C ATOM 1613 O ALA A 98 4.174 -23.991 -3.911 1.00 0.00 O ATOM 1614 CB ALA A 98 6.677 -23.042 -5.616 1.00 0.00 C ATOM 0 H ALA A 98 5.527 -22.216 -7.625 1.00 0.00 H new ATOM 0 HA ALA A 98 5.287 -24.579 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.984 -23.526 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.371 -23.310 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.682 -21.961 -5.480 1.00 0.00 H new ATOM 1620 N ASP A 99 3.613 -22.072 -4.946 1.00 0.00 N ATOM 1621 CA ASP A 99 2.649 -21.675 -3.926 1.00 0.00 C ATOM 1622 C ASP A 99 3.338 -21.425 -2.589 1.00 0.00 C ATOM 1623 O ASP A 99 2.738 -21.598 -1.528 1.00 0.00 O ATOM 1624 CB ASP A 99 1.570 -22.748 -3.765 1.00 0.00 C ATOM 1625 CG ASP A 99 0.235 -22.167 -3.346 1.00 0.00 C ATOM 1626 OD1 ASP A 99 -0.805 -22.794 -3.641 1.00 0.00 O ATOM 1627 OD2 ASP A 99 0.226 -21.085 -2.721 1.00 0.00 O ATOM 0 H ASP A 99 3.706 -21.412 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 99 2.181 -20.746 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 99 1.451 -23.283 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.895 -23.477 -3.023 1.00 0.00 H new ATOM 1633 N GLU A 100 4.603 -21.017 -2.646 1.00 0.00 N ATOM 1634 CA GLU A 100 5.375 -20.743 -1.438 1.00 0.00 C ATOM 1635 C GLU A 100 6.792 -20.299 -1.791 1.00 0.00 C ATOM 1636 O GLU A 100 7.745 -21.066 -1.658 1.00 0.00 O ATOM 1637 CB GLU A 100 5.420 -21.983 -0.540 1.00 0.00 C ATOM 1638 CG GLU A 100 4.540 -21.871 0.693 1.00 0.00 C ATOM 1639 CD GLU A 100 4.022 -23.217 1.163 1.00 0.00 C ATOM 1640 OE1 GLU A 100 3.684 -24.057 0.303 1.00 0.00 O ATOM 1641 OE2 GLU A 100 3.954 -23.431 2.392 1.00 0.00 O ATOM 0 H GLU A 100 5.115 -20.869 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 100 4.884 -19.934 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.111 -22.853 -1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.449 -22.158 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.106 -21.402 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 100 3.696 -21.217 0.474 1.00 0.00 H new ATOM 1649 N ASN A 101 6.922 -19.054 -2.240 1.00 0.00 N ATOM 1650 CA ASN A 101 8.224 -18.508 -2.611 1.00 0.00 C ATOM 1651 C ASN A 101 8.110 -17.032 -2.979 1.00 0.00 C ATOM 1652 O ASN A 101 8.466 -16.156 -2.192 1.00 0.00 O ATOM 1653 CB ASN A 101 8.815 -19.297 -3.782 1.00 0.00 C ATOM 1654 CG ASN A 101 9.799 -20.356 -3.326 1.00 0.00 C ATOM 1655 OD1 ASN A 101 10.557 -20.151 -2.378 1.00 0.00 O ATOM 1656 ND2 ASN A 101 9.793 -21.500 -4.002 1.00 0.00 N ATOM 0 H ASN A 101 6.143 -18.405 -2.356 1.00 0.00 H new ATOM 0 HA ASN A 101 8.888 -18.597 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 101 8.008 -19.771 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.315 -18.610 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.433 -22.250 -3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 101 9.148 -21.628 -4.782 1.00 0.00 H new ATOM 1663 N PHE A 102 7.611 -16.763 -4.182 1.00 0.00 N ATOM 1664 CA PHE A 102 7.452 -15.393 -4.655 1.00 0.00 C ATOM 1665 C PHE A 102 6.013 -14.920 -4.478 1.00 0.00 C ATOM 1666 O PHE A 102 5.068 -15.662 -4.744 1.00 0.00 O ATOM 1667 CB PHE A 102 7.858 -15.287 -6.126 1.00 0.00 C ATOM 1668 CG PHE A 102 9.342 -15.176 -6.334 1.00 0.00 C ATOM 1669 CD1 PHE A 102 10.072 -14.185 -5.696 1.00 0.00 C ATOM 1670 CD2 PHE A 102 10.006 -16.062 -7.167 1.00 0.00 C ATOM 1671 CE1 PHE A 102 11.436 -14.080 -5.885 1.00 0.00 C ATOM 1672 CE2 PHE A 102 11.371 -15.962 -7.359 1.00 0.00 C ATOM 1673 CZ PHE A 102 12.086 -14.970 -6.718 1.00 0.00 C ATOM 0 H PHE A 102 7.310 -17.476 -4.846 1.00 0.00 H new ATOM 0 HA PHE A 102 8.103 -14.753 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.489 -16.163 -6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.372 -14.417 -6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 102 9.568 -13.487 -5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 102 9.451 -16.839 -7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 102 11.994 -13.303 -5.382 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.878 -16.659 -8.010 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.153 -14.890 -6.868 1.00 0.00 H new ATOM 1683 N HIS A 103 5.854 -13.679 -4.030 1.00 0.00 N ATOM 1684 CA HIS A 103 4.529 -13.106 -3.819 1.00 0.00 C ATOM 1685 C HIS A 103 4.275 -11.953 -4.784 1.00 0.00 C ATOM 1686 O HIS A 103 4.967 -10.936 -4.748 1.00 0.00 O ATOM 1687 CB HIS A 103 4.385 -12.619 -2.375 1.00 0.00 C ATOM 1688 CG HIS A 103 3.854 -13.662 -1.442 1.00 0.00 C ATOM 1689 ND1 HIS A 103 4.607 -14.728 -0.997 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.635 -13.799 -0.867 1.00 0.00 C ATOM 1691 CE1 HIS A 103 3.874 -15.475 -0.191 1.00 0.00 C ATOM 1692 NE2 HIS A 103 2.675 -14.933 -0.095 1.00 0.00 N ATOM 0 H HIS A 103 6.626 -13.051 -3.806 1.00 0.00 H new ATOM 0 HA HIS A 103 3.790 -13.884 -4.008 1.00 0.00 H new ATOM 0 HB2 HIS A 103 5.357 -12.282 -2.015 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.721 -11.755 -2.356 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.789 -13.139 -0.993 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.201 -16.377 0.305 1.00 0.00 H new ATOM 0 HE2 HIS A 103 1.903 -15.298 0.463 1.00 0.00 H new ATOM 1701 N LEU A 104 3.278 -12.120 -5.648 1.00 0.00 N ATOM 1702 CA LEU A 104 2.934 -11.093 -6.624 1.00 0.00 C ATOM 1703 C LEU A 104 1.421 -10.923 -6.725 1.00 0.00 C ATOM 1704 O LEU A 104 0.698 -11.873 -7.021 1.00 0.00 O ATOM 1705 CB LEU A 104 3.511 -11.448 -7.996 1.00 0.00 C ATOM 1706 CG LEU A 104 4.022 -10.260 -8.811 1.00 0.00 C ATOM 1707 CD1 LEU A 104 4.970 -10.730 -9.904 1.00 0.00 C ATOM 1708 CD2 LEU A 104 2.857 -9.485 -9.409 1.00 0.00 C ATOM 0 H LEU A 104 2.695 -12.956 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 104 3.367 -10.150 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.331 -12.153 -7.857 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.743 -11.962 -8.574 1.00 0.00 H new ATOM 0 HG LEU A 104 4.571 -9.595 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.323 -9.870 -10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.821 -11.241 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.446 -11.416 -10.570 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.238 -8.643 -9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.281 -10.141 -10.062 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.216 -9.116 -8.608 1.00 0.00 H new ATOM 1720 N GLY A 105 0.949 -9.705 -6.475 1.00 0.00 N ATOM 1721 CA GLY A 105 -0.475 -9.434 -6.544 1.00 0.00 C ATOM 1722 C GLY A 105 -0.790 -7.955 -6.425 1.00 0.00 C ATOM 1723 O GLY A 105 0.113 -7.120 -6.419 1.00 0.00 O ATOM 0 H GLY A 105 1.527 -8.902 -6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.868 -9.811 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.984 -9.976 -5.747 1.00 0.00 H new ATOM 1727 N LEU A 106 -2.076 -7.634 -6.332 1.00 0.00 N ATOM 1728 CA LEU A 106 -2.511 -6.246 -6.214 1.00 0.00 C ATOM 1729 C LEU A 106 -3.538 -6.091 -5.097 1.00 0.00 C ATOM 1730 O LEU A 106 -4.021 -7.080 -4.543 1.00 0.00 O ATOM 1731 CB LEU A 106 -3.102 -5.760 -7.539 1.00 0.00 C ATOM 1732 CG LEU A 106 -2.306 -6.150 -8.785 1.00 0.00 C ATOM 1733 CD1 LEU A 106 -3.223 -6.244 -9.995 1.00 0.00 C ATOM 1734 CD2 LEU A 106 -1.187 -5.151 -9.036 1.00 0.00 C ATOM 0 H LEU A 106 -2.835 -8.315 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.640 -5.638 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.114 -6.155 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.186 -4.674 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.859 -7.130 -8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.640 -6.522 -10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.989 -6.998 -9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.699 -5.278 -10.167 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.631 -5.444 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.612 -4.158 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.515 -5.134 -8.178 1.00 0.00 H new ATOM 1746 N GLY A 107 -3.869 -4.846 -4.772 1.00 0.00 N ATOM 1747 CA GLY A 107 -4.837 -4.586 -3.724 1.00 0.00 C ATOM 1748 C GLY A 107 -5.183 -3.115 -3.604 1.00 0.00 C ATOM 1749 O GLY A 107 -4.339 -2.251 -3.839 1.00 0.00 O ATOM 0 H GLY A 107 -3.484 -4.012 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.745 -5.154 -3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.442 -4.942 -2.773 1.00 0.00 H new ATOM 1753 N PHE A 108 -6.429 -2.830 -3.237 1.00 0.00 N ATOM 1754 CA PHE A 108 -6.884 -1.453 -3.087 1.00 0.00 C ATOM 1755 C PHE A 108 -6.648 -0.954 -1.665 1.00 0.00 C ATOM 1756 O PHE A 108 -6.806 -1.702 -0.700 1.00 0.00 O ATOM 1757 CB PHE A 108 -8.369 -1.344 -3.440 1.00 0.00 C ATOM 1758 CG PHE A 108 -8.698 -0.153 -4.295 1.00 0.00 C ATOM 1759 CD1 PHE A 108 -7.918 0.163 -5.396 1.00 0.00 C ATOM 1760 CD2 PHE A 108 -9.787 0.650 -3.997 1.00 0.00 C ATOM 1761 CE1 PHE A 108 -8.219 1.257 -6.184 1.00 0.00 C ATOM 1762 CE2 PHE A 108 -10.092 1.746 -4.781 1.00 0.00 C ATOM 1763 CZ PHE A 108 -9.307 2.051 -5.876 1.00 0.00 C ATOM 0 H PHE A 108 -7.140 -3.534 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.309 -0.829 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.678 -2.251 -3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.950 -1.291 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.065 -0.453 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -10.404 0.417 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.604 1.492 -7.040 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -10.944 2.364 -4.538 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.543 2.908 -6.490 1.00 0.00 H new ATOM 1773 N THR A 109 -6.267 0.313 -1.543 1.00 0.00 N ATOM 1774 CA THR A 109 -6.008 0.910 -0.238 1.00 0.00 C ATOM 1775 C THR A 109 -6.778 2.217 -0.074 1.00 0.00 C ATOM 1776 O THR A 109 -6.765 3.071 -0.961 1.00 0.00 O ATOM 1777 CB THR A 109 -4.510 1.162 -0.057 1.00 0.00 C ATOM 1778 OG1 THR A 109 -3.753 0.303 -0.891 1.00 0.00 O ATOM 1779 CG2 THR A 109 -4.036 0.956 1.365 1.00 0.00 C ATOM 0 H THR A 109 -6.131 0.946 -2.331 1.00 0.00 H new ATOM 0 HA THR A 109 -6.347 0.211 0.526 1.00 0.00 H new ATOM 0 HB THR A 109 -4.358 2.208 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.165 -0.254 -0.339 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.965 1.151 1.423 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.566 1.640 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.235 -0.072 1.670 1.00 0.00 H new ATOM 1787 N ALA A 110 -7.446 2.365 1.064 1.00 0.00 N ATOM 1788 CA ALA A 110 -8.222 3.568 1.345 1.00 0.00 C ATOM 1789 C ALA A 110 -7.662 4.311 2.553 1.00 0.00 C ATOM 1790 O ALA A 110 -7.703 3.811 3.676 1.00 0.00 O ATOM 1791 CB ALA A 110 -9.683 3.211 1.573 1.00 0.00 C ATOM 0 H ALA A 110 -7.466 1.667 1.808 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.151 4.228 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.251 4.118 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -10.083 2.729 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.763 2.530 2.420 1.00 0.00 H new ATOM 1797 N GLY A 111 -7.139 5.510 2.313 1.00 0.00 N ATOM 1798 CA GLY A 111 -6.579 6.302 3.391 1.00 0.00 C ATOM 1799 C GLY A 111 -7.554 7.336 3.919 1.00 0.00 C ATOM 1800 O GLY A 111 -8.207 8.035 3.144 1.00 0.00 O ATOM 0 H GLY A 111 -7.094 5.946 1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.279 5.642 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -5.678 6.804 3.039 1.00 0.00 H new ATOM 1804 N VAL A 112 -7.652 7.435 5.241 1.00 0.00 N ATOM 1805 CA VAL A 112 -8.555 8.391 5.871 1.00 0.00 C ATOM 1806 C VAL A 112 -7.822 9.239 6.905 1.00 0.00 C ATOM 1807 O VAL A 112 -7.167 8.710 7.804 1.00 0.00 O ATOM 1808 CB VAL A 112 -9.739 7.681 6.552 1.00 0.00 C ATOM 1809 CG1 VAL A 112 -10.731 7.180 5.514 1.00 0.00 C ATOM 1810 CG2 VAL A 112 -9.245 6.537 7.425 1.00 0.00 C ATOM 0 H VAL A 112 -7.117 6.865 5.896 1.00 0.00 H new ATOM 0 HA VAL A 112 -8.936 9.036 5.079 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.251 8.400 7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -11.561 6.681 6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -11.110 8.023 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -10.234 6.476 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.096 6.047 7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.707 5.816 6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.578 6.928 8.193 1.00 0.00 H new ATOM 1820 N THR A 113 -7.937 10.556 6.772 1.00 0.00 N ATOM 1821 CA THR A 113 -7.286 11.477 7.696 1.00 0.00 C ATOM 1822 C THR A 113 -8.312 12.166 8.590 1.00 0.00 C ATOM 1823 O THR A 113 -9.171 12.905 8.112 1.00 0.00 O ATOM 1824 CB THR A 113 -6.482 12.525 6.923 1.00 0.00 C ATOM 1825 OG1 THR A 113 -7.242 13.044 5.845 1.00 0.00 O ATOM 1826 CG2 THR A 113 -5.188 11.985 6.354 1.00 0.00 C ATOM 0 H THR A 113 -8.475 11.009 6.033 1.00 0.00 H new ATOM 0 HA THR A 113 -6.609 10.901 8.327 1.00 0.00 H new ATOM 0 HB THR A 113 -6.245 13.302 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.712 13.713 5.364 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.667 12.779 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.558 11.620 7.165 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.406 11.166 5.668 1.00 0.00 H new ATOM 1834 N ALA A 114 -8.214 11.916 9.892 1.00 0.00 N ATOM 1835 CA ALA A 114 -9.134 12.512 10.854 1.00 0.00 C ATOM 1836 C ALA A 114 -8.445 13.603 11.670 1.00 0.00 C ATOM 1837 O ALA A 114 -7.273 13.480 12.023 1.00 0.00 O ATOM 1838 CB ALA A 114 -9.701 11.441 11.774 1.00 0.00 C ATOM 0 H ALA A 114 -7.508 11.306 10.304 1.00 0.00 H new ATOM 0 HA ALA A 114 -9.953 12.971 10.300 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.386 11.899 12.487 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -10.237 10.699 11.182 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.887 10.956 12.313 1.00 0.00 H new ATOM 1844 N ARG A 115 -9.183 14.668 11.965 1.00 0.00 N ATOM 1845 CA ARG A 115 -8.643 15.781 12.739 1.00 0.00 C ATOM 1846 C ARG A 115 -9.463 16.010 14.005 1.00 0.00 C ATOM 1847 O ARG A 115 -10.402 15.267 14.291 1.00 0.00 O ATOM 1848 CB ARG A 115 -8.622 17.055 11.894 1.00 0.00 C ATOM 1849 CG ARG A 115 -7.949 16.878 10.542 1.00 0.00 C ATOM 1850 CD ARG A 115 -6.494 17.313 10.583 1.00 0.00 C ATOM 1851 NE ARG A 115 -5.654 16.352 11.295 1.00 0.00 N ATOM 1852 CZ ARG A 115 -4.337 16.481 11.438 1.00 0.00 C ATOM 1853 NH1 ARG A 115 -3.705 17.527 10.919 1.00 0.00 N ATOM 1854 NH2 ARG A 115 -3.650 15.561 12.102 1.00 0.00 N ATOM 0 H ARG A 115 -10.156 14.784 11.680 1.00 0.00 H new ATOM 0 HA ARG A 115 -7.623 15.529 13.028 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.646 17.395 11.739 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -8.106 17.840 12.447 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.009 15.833 10.239 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.483 17.459 9.790 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.123 17.434 9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.420 18.287 11.067 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.104 15.534 11.707 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -4.229 18.237 10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -2.696 17.620 11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -4.131 14.756 12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.641 15.659 12.212 1.00 0.00 H new ATOM 1868 N ASP A 116 -9.101 17.043 14.758 1.00 0.00 N ATOM 1869 CA ASP A 116 -9.803 17.370 15.994 1.00 0.00 C ATOM 1870 C ASP A 116 -9.917 18.880 16.172 1.00 0.00 C ATOM 1871 O ASP A 116 -9.881 19.388 17.292 1.00 0.00 O ATOM 1872 CB ASP A 116 -9.079 16.757 17.195 1.00 0.00 C ATOM 1873 CG ASP A 116 -10.039 16.275 18.264 1.00 0.00 C ATOM 1874 OD1 ASP A 116 -9.719 15.278 18.944 1.00 0.00 O ATOM 1875 OD2 ASP A 116 -11.111 16.895 18.422 1.00 0.00 O ATOM 0 H ASP A 116 -8.326 17.668 14.535 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.808 16.952 15.932 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -8.465 15.921 16.858 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -8.403 17.496 17.624 1.00 0.00 H new ATOM 1881 N ASN A 117 -10.054 19.593 15.059 1.00 0.00 N ATOM 1882 CA ASN A 117 -10.173 21.046 15.090 1.00 0.00 C ATOM 1883 C ASN A 117 -11.510 21.470 15.690 1.00 0.00 C ATOM 1884 O ASN A 117 -11.557 22.096 16.748 1.00 0.00 O ATOM 1885 CB ASN A 117 -10.027 21.622 13.681 1.00 0.00 C ATOM 1886 CG ASN A 117 -10.012 23.138 13.676 1.00 0.00 C ATOM 1887 OD1 ASN A 117 -9.719 23.772 14.689 1.00 0.00 O ATOM 1888 ND2 ASN A 117 -10.330 23.729 12.529 1.00 0.00 N ATOM 0 H ASN A 117 -10.085 19.188 14.124 1.00 0.00 H new ATOM 0 HA ASN A 117 -9.373 21.437 15.719 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.105 21.251 13.233 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.849 21.267 13.059 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -10.337 24.747 12.465 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -10.567 23.165 11.713 1.00 0.00 H new ATOM 1895 N TRP A 118 -12.596 21.124 15.005 1.00 0.00 N ATOM 1896 CA TRP A 118 -13.935 21.468 15.470 1.00 0.00 C ATOM 1897 C TRP A 118 -14.821 20.229 15.544 1.00 0.00 C ATOM 1898 O TRP A 118 -15.452 19.965 16.566 1.00 0.00 O ATOM 1899 CB TRP A 118 -14.567 22.508 14.545 1.00 0.00 C ATOM 1900 CG TRP A 118 -15.409 23.514 15.268 1.00 0.00 C ATOM 1901 CD1 TRP A 118 -16.710 23.835 15.005 1.00 0.00 C ATOM 1902 CD2 TRP A 118 -15.008 24.333 16.373 1.00 0.00 C ATOM 1903 NE1 TRP A 118 -17.142 24.802 15.881 1.00 0.00 N ATOM 1904 CE2 TRP A 118 -16.117 25.124 16.729 1.00 0.00 C ATOM 1905 CE3 TRP A 118 -13.820 24.472 17.096 1.00 0.00 C ATOM 1906 CZ2 TRP A 118 -16.071 26.041 17.777 1.00 0.00 C ATOM 1907 CZ3 TRP A 118 -13.776 25.383 18.135 1.00 0.00 C ATOM 1908 CH2 TRP A 118 -14.895 26.156 18.467 1.00 0.00 C ATOM 0 H TRP A 118 -12.575 20.606 14.127 1.00 0.00 H new ATOM 0 HA TRP A 118 -13.848 21.889 16.472 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -13.778 23.028 14.003 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -15.181 21.998 13.803 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -17.311 23.394 14.224 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -18.075 25.213 15.897 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -12.952 23.879 16.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -16.932 26.639 18.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -12.863 25.500 18.700 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -14.829 26.858 19.285 1.00 0.00 H new ATOM 1919 N ASN A 119 -14.865 19.473 14.450 1.00 0.00 N ATOM 1920 CA ASN A 119 -15.674 18.263 14.390 1.00 0.00 C ATOM 1921 C ASN A 119 -14.898 17.120 13.744 1.00 0.00 C ATOM 1922 O ASN A 119 -13.969 17.347 12.969 1.00 0.00 O ATOM 1923 CB ASN A 119 -16.965 18.525 13.611 1.00 0.00 C ATOM 1924 CG ASN A 119 -18.145 17.753 14.168 1.00 0.00 C ATOM 1925 OD1 ASN A 119 -18.276 17.587 15.381 1.00 0.00 O ATOM 1926 ND2 ASN A 119 -19.011 17.277 13.283 1.00 0.00 N ATOM 0 H ASN A 119 -14.349 19.678 13.594 1.00 0.00 H new ATOM 0 HA ASN A 119 -15.926 17.974 15.410 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -17.189 19.591 13.633 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.817 18.252 12.566 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -19.825 16.750 13.599 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -18.863 17.438 12.287 1.00 0.00 H new ATOM 1933 N TYR A 120 -15.287 15.890 14.068 1.00 0.00 N ATOM 1934 CA TYR A 120 -14.627 14.711 13.518 1.00 0.00 C ATOM 1935 C TYR A 120 -15.057 14.472 12.073 1.00 0.00 C ATOM 1936 O TYR A 120 -16.146 13.957 11.816 1.00 0.00 O ATOM 1937 CB TYR A 120 -14.945 13.481 14.371 1.00 0.00 C ATOM 1938 CG TYR A 120 -13.749 12.943 15.125 1.00 0.00 C ATOM 1939 CD1 TYR A 120 -13.437 13.411 16.395 1.00 0.00 C ATOM 1940 CD2 TYR A 120 -12.934 11.966 14.568 1.00 0.00 C ATOM 1941 CE1 TYR A 120 -12.346 12.922 17.088 1.00 0.00 C ATOM 1942 CE2 TYR A 120 -11.841 11.472 15.254 1.00 0.00 C ATOM 1943 CZ TYR A 120 -11.551 11.953 16.513 1.00 0.00 C ATOM 1944 OH TYR A 120 -10.464 11.464 17.199 1.00 0.00 O ATOM 0 H TYR A 120 -16.055 15.684 14.708 1.00 0.00 H new ATOM 0 HA TYR A 120 -13.551 14.885 13.532 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -15.729 13.736 15.084 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -15.342 12.696 13.728 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -14.057 14.170 16.848 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -13.158 11.586 13.582 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -12.117 13.297 18.075 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -11.217 10.713 14.806 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.011 10.787 16.654 1.00 0.00 H new ATOM 1954 N ILE A 121 -14.196 14.849 11.135 1.00 0.00 N ATOM 1955 CA ILE A 121 -14.485 14.676 9.716 1.00 0.00 C ATOM 1956 C ILE A 121 -13.307 14.032 8.989 1.00 0.00 C ATOM 1957 O ILE A 121 -12.394 14.724 8.538 1.00 0.00 O ATOM 1958 CB ILE A 121 -14.815 16.021 9.042 1.00 0.00 C ATOM 1959 CG1 ILE A 121 -15.855 16.787 9.863 1.00 0.00 C ATOM 1960 CG2 ILE A 121 -15.315 15.794 7.624 1.00 0.00 C ATOM 1961 CD1 ILE A 121 -15.960 18.250 9.491 1.00 0.00 C ATOM 0 H ILE A 121 -13.291 15.277 11.332 1.00 0.00 H new ATOM 0 HA ILE A 121 -15.353 14.021 9.648 1.00 0.00 H new ATOM 0 HB ILE A 121 -13.905 16.619 8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -16.829 16.316 9.731 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -15.603 16.706 10.920 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -15.544 16.754 7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -14.545 15.286 7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -16.215 15.180 7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -16.716 18.730 10.113 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -14.997 18.736 9.650 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -16.243 18.339 8.442 1.00 0.00 H new ATOM 1973 N PRO A 122 -13.311 12.693 8.865 1.00 0.00 N ATOM 1974 CA PRO A 122 -12.235 11.962 8.187 1.00 0.00 C ATOM 1975 C PRO A 122 -12.224 12.210 6.683 1.00 0.00 C ATOM 1976 O PRO A 122 -13.276 12.339 6.057 1.00 0.00 O ATOM 1977 CB PRO A 122 -12.557 10.496 8.484 1.00 0.00 C ATOM 1978 CG PRO A 122 -14.025 10.472 8.729 1.00 0.00 C ATOM 1979 CD PRO A 122 -14.359 11.789 9.373 1.00 0.00 C ATOM 0 HA PRO A 122 -11.250 12.274 8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -12.285 9.854 7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.005 10.138 9.353 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -14.574 10.343 7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -14.299 9.640 9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -15.355 12.132 9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -14.339 11.721 10.461 1.00 0.00 H new ATOM 1987 N LEU A 123 -11.028 12.277 6.108 1.00 0.00 N ATOM 1988 CA LEU A 123 -10.879 12.511 4.676 1.00 0.00 C ATOM 1989 C LEU A 123 -10.456 11.232 3.957 1.00 0.00 C ATOM 1990 O LEU A 123 -9.265 10.975 3.778 1.00 0.00 O ATOM 1991 CB LEU A 123 -9.852 13.617 4.423 1.00 0.00 C ATOM 1992 CG LEU A 123 -10.205 14.582 3.291 1.00 0.00 C ATOM 1993 CD1 LEU A 123 -9.652 15.969 3.579 1.00 0.00 C ATOM 1994 CD2 LEU A 123 -9.677 14.060 1.962 1.00 0.00 C ATOM 0 H LEU A 123 -10.147 12.173 6.612 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.845 12.825 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -9.724 14.190 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -8.891 13.155 4.199 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.291 14.654 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -9.913 16.642 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -10.078 16.345 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -8.567 15.916 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.937 14.759 1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -8.593 13.959 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.122 13.088 1.750 1.00 0.00 H new ATOM 2006 N PRO A 124 -11.431 10.408 3.535 1.00 0.00 N ATOM 2007 CA PRO A 124 -11.154 9.150 2.833 1.00 0.00 C ATOM 2008 C PRO A 124 -10.629 9.378 1.420 1.00 0.00 C ATOM 2009 O PRO A 124 -10.914 10.402 0.799 1.00 0.00 O ATOM 2010 CB PRO A 124 -12.517 8.459 2.793 1.00 0.00 C ATOM 2011 CG PRO A 124 -13.507 9.570 2.855 1.00 0.00 C ATOM 2012 CD PRO A 124 -12.879 10.637 3.709 1.00 0.00 C ATOM 0 HA PRO A 124 -10.380 8.566 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -12.637 7.872 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -12.638 7.774 3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -13.731 9.950 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -14.449 9.230 3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -13.170 11.635 3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -13.178 10.543 4.753 1.00 0.00 H new ATOM 2020 N VAL A 125 -9.860 8.418 0.919 1.00 0.00 N ATOM 2021 CA VAL A 125 -9.295 8.513 -0.422 1.00 0.00 C ATOM 2022 C VAL A 125 -9.022 7.129 -1.003 1.00 0.00 C ATOM 2023 O VAL A 125 -8.409 6.283 -0.354 1.00 0.00 O ATOM 2024 CB VAL A 125 -7.986 9.324 -0.424 1.00 0.00 C ATOM 2025 CG1 VAL A 125 -8.276 10.808 -0.264 1.00 0.00 C ATOM 2026 CG2 VAL A 125 -7.052 8.833 0.672 1.00 0.00 C ATOM 0 H VAL A 125 -9.613 7.565 1.421 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.033 9.025 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 125 -7.491 9.177 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -7.339 11.364 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -8.903 11.147 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -8.795 10.978 0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -6.132 9.418 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -7.537 8.947 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -6.817 7.782 0.506 1.00 0.00 H new ATOM 2036 N LEU A 126 -9.485 6.906 -2.229 1.00 0.00 N ATOM 2037 CA LEU A 126 -9.291 5.624 -2.896 1.00 0.00 C ATOM 2038 C LEU A 126 -8.125 5.691 -3.877 1.00 0.00 C ATOM 2039 O LEU A 126 -8.089 6.551 -4.757 1.00 0.00 O ATOM 2040 CB LEU A 126 -10.568 5.211 -3.632 1.00 0.00 C ATOM 2041 CG LEU A 126 -11.829 5.169 -2.768 1.00 0.00 C ATOM 2042 CD1 LEU A 126 -13.051 5.558 -3.586 1.00 0.00 C ATOM 2043 CD2 LEU A 126 -12.011 3.787 -2.159 1.00 0.00 C ATOM 0 H LEU A 126 -9.996 7.596 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.060 4.878 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.734 5.904 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.414 4.225 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.716 5.890 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.938 5.522 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.922 6.568 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -13.169 4.862 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.913 3.775 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.102 3.048 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.148 3.547 -1.538 1.00 0.00 H new ATOM 2055 N LEU A 127 -7.173 4.777 -3.720 1.00 0.00 N ATOM 2056 CA LEU A 127 -6.005 4.732 -4.593 1.00 0.00 C ATOM 2057 C LEU A 127 -5.516 3.296 -4.775 1.00 0.00 C ATOM 2058 O LEU A 127 -5.573 2.491 -3.846 1.00 0.00 O ATOM 2059 CB LEU A 127 -4.882 5.597 -4.020 1.00 0.00 C ATOM 2060 CG LEU A 127 -5.142 7.104 -4.055 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -5.873 7.549 -2.798 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -3.834 7.866 -4.210 1.00 0.00 C ATOM 0 H LEU A 127 -7.187 4.058 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.295 5.124 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.705 5.298 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.966 5.389 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.774 7.325 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -6.049 8.624 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.827 7.027 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.267 7.315 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.037 8.937 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.179 7.639 -3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.348 7.569 -5.139 1.00 0.00 H new ATOM 2074 N PRO A 128 -5.026 2.955 -5.980 1.00 0.00 N ATOM 2075 CA PRO A 128 -4.527 1.609 -6.276 1.00 0.00 C ATOM 2076 C PRO A 128 -3.173 1.339 -5.631 1.00 0.00 C ATOM 2077 O PRO A 128 -2.366 2.251 -5.450 1.00 0.00 O ATOM 2078 CB PRO A 128 -4.403 1.609 -7.799 1.00 0.00 C ATOM 2079 CG PRO A 128 -4.160 3.035 -8.157 1.00 0.00 C ATOM 2080 CD PRO A 128 -4.922 3.853 -7.147 1.00 0.00 C ATOM 0 HA PRO A 128 -5.186 0.833 -5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -3.583 0.972 -8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -5.310 1.231 -8.270 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -3.096 3.269 -8.126 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -4.503 3.247 -9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -4.396 4.774 -6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -5.905 4.139 -7.522 1.00 0.00 H new ATOM 2088 N LEU A 129 -2.929 0.077 -5.286 1.00 0.00 N ATOM 2089 CA LEU A 129 -1.671 -0.314 -4.661 1.00 0.00 C ATOM 2090 C LEU A 129 -1.346 -1.773 -4.962 1.00 0.00 C ATOM 2091 O LEU A 129 -2.245 -2.596 -5.141 1.00 0.00 O ATOM 2092 CB LEU A 129 -1.739 -0.096 -3.148 1.00 0.00 C ATOM 2093 CG LEU A 129 -0.408 -0.255 -2.410 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -0.293 0.763 -1.287 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -0.269 -1.669 -1.866 1.00 0.00 C ATOM 0 H LEU A 129 -3.586 -0.690 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 129 -0.879 0.310 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -2.125 0.905 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -2.457 -0.800 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 129 0.402 -0.076 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 129 0.660 0.633 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.348 1.770 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.108 0.617 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.683 -1.766 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.085 -1.874 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.305 -2.381 -2.690 1.00 0.00 H new ATOM 2107 N ALA A 130 -0.056 -2.088 -5.017 1.00 0.00 N ATOM 2108 CA ALA A 130 0.387 -3.449 -5.296 1.00 0.00 C ATOM 2109 C ALA A 130 1.333 -3.952 -4.212 1.00 0.00 C ATOM 2110 O ALA A 130 1.841 -3.171 -3.406 1.00 0.00 O ATOM 2111 CB ALA A 130 1.061 -3.514 -6.658 1.00 0.00 C ATOM 0 H ALA A 130 0.701 -1.419 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 130 -0.490 -4.096 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.387 -4.535 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.355 -3.204 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 130 1.925 -2.849 -6.669 1.00 0.00 H new ATOM 2117 N SER A 131 1.567 -5.260 -4.197 1.00 0.00 N ATOM 2118 CA SER A 131 2.452 -5.867 -3.211 1.00 0.00 C ATOM 2119 C SER A 131 3.298 -6.968 -3.844 1.00 0.00 C ATOM 2120 O SER A 131 2.768 -7.960 -4.346 1.00 0.00 O ATOM 2121 CB SER A 131 1.640 -6.438 -2.047 1.00 0.00 C ATOM 2122 OG SER A 131 1.493 -5.483 -1.010 1.00 0.00 O ATOM 0 H SER A 131 1.156 -5.920 -4.857 1.00 0.00 H new ATOM 0 HA SER A 131 3.119 -5.092 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.657 -6.747 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 131 2.133 -7.329 -1.658 1.00 0.00 H new ATOM 0 HG SER A 131 0.542 -5.285 -0.880 1.00 0.00 H new ATOM 2128 N VAL A 132 4.614 -6.786 -3.816 1.00 0.00 N ATOM 2129 CA VAL A 132 5.532 -7.765 -4.386 1.00 0.00 C ATOM 2130 C VAL A 132 6.807 -7.870 -3.556 1.00 0.00 C ATOM 2131 O VAL A 132 7.509 -6.880 -3.350 1.00 0.00 O ATOM 2132 CB VAL A 132 5.905 -7.405 -5.837 1.00 0.00 C ATOM 2133 CG1 VAL A 132 4.684 -7.488 -6.739 1.00 0.00 C ATOM 2134 CG2 VAL A 132 6.532 -6.020 -5.900 1.00 0.00 C ATOM 0 H VAL A 132 5.068 -5.970 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 132 5.017 -8.726 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 132 6.640 -8.127 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 132 4.967 -7.230 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 132 4.285 -8.502 -6.718 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.923 -6.791 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 132 6.789 -5.783 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 132 5.823 -5.282 -5.524 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.434 -6.001 -5.288 1.00 0.00 H new ATOM 2144 N GLY A 133 7.101 -9.076 -3.084 1.00 0.00 N ATOM 2145 CA GLY A 133 8.292 -9.288 -2.282 1.00 0.00 C ATOM 2146 C GLY A 133 8.401 -10.708 -1.765 1.00 0.00 C ATOM 2147 O GLY A 133 7.720 -11.609 -2.257 1.00 0.00 O ATOM 0 H GLY A 133 6.536 -9.911 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 133 9.174 -9.054 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 133 8.285 -8.598 -1.439 1.00 0.00 H new ATOM 2151 N TYR A 134 9.259 -10.910 -0.771 1.00 0.00 N ATOM 2152 CA TYR A 134 9.457 -12.231 -0.186 1.00 0.00 C ATOM 2153 C TYR A 134 9.525 -12.147 1.335 1.00 0.00 C ATOM 2154 O TYR A 134 10.128 -11.228 1.890 1.00 0.00 O ATOM 2155 CB TYR A 134 10.737 -12.867 -0.731 1.00 0.00 C ATOM 2156 CG TYR A 134 10.990 -14.265 -0.211 1.00 0.00 C ATOM 2157 CD1 TYR A 134 11.392 -14.476 1.102 1.00 0.00 C ATOM 2158 CD2 TYR A 134 10.828 -15.372 -1.034 1.00 0.00 C ATOM 2159 CE1 TYR A 134 11.625 -15.751 1.580 1.00 0.00 C ATOM 2160 CE2 TYR A 134 11.059 -16.650 -0.564 1.00 0.00 C ATOM 2161 CZ TYR A 134 11.457 -16.835 0.744 1.00 0.00 C ATOM 2162 OH TYR A 134 11.688 -18.106 1.217 1.00 0.00 O ATOM 0 H TYR A 134 9.829 -10.175 -0.353 1.00 0.00 H new ATOM 0 HA TYR A 134 8.605 -12.854 -0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 134 10.682 -12.898 -1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 134 11.586 -12.234 -0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 134 11.524 -13.630 1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 134 10.516 -15.231 -2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 134 11.937 -15.898 2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 134 10.929 -17.500 -1.217 1.00 0.00 H new ATOM 0 HH TYR A 134 11.523 -18.756 0.502 1.00 0.00 H new ATOM 2172 N GLY A 135 8.904 -13.112 2.006 1.00 0.00 N ATOM 2173 CA GLY A 135 8.908 -13.127 3.457 1.00 0.00 C ATOM 2174 C GLY A 135 8.321 -11.860 4.053 1.00 0.00 C ATOM 2175 O GLY A 135 7.340 -11.327 3.534 1.00 0.00 O ATOM 0 H GLY A 135 8.398 -13.884 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 135 8.340 -13.988 3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 135 9.931 -13.252 3.813 1.00 0.00 H new ATOM 2179 N PRO A 136 8.903 -11.346 5.151 1.00 0.00 N ATOM 2180 CA PRO A 136 8.416 -10.125 5.803 1.00 0.00 C ATOM 2181 C PRO A 136 8.624 -8.884 4.940 1.00 0.00 C ATOM 2182 O PRO A 136 7.931 -7.880 5.105 1.00 0.00 O ATOM 2183 CB PRO A 136 9.258 -10.038 7.078 1.00 0.00 C ATOM 2184 CG PRO A 136 10.497 -10.806 6.771 1.00 0.00 C ATOM 2185 CD PRO A 136 10.079 -11.909 5.842 1.00 0.00 C ATOM 0 HA PRO A 136 7.343 -10.165 5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 136 9.487 -9.003 7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 136 8.730 -10.465 7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 136 11.247 -10.167 6.306 1.00 0.00 H new ATOM 0 HG3 PRO A 136 10.942 -11.209 7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 136 10.873 -12.166 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 136 9.828 -12.819 6.386 1.00 0.00 H new ATOM 2193 N VAL A 137 9.581 -8.959 4.021 1.00 0.00 N ATOM 2194 CA VAL A 137 9.877 -7.840 3.135 1.00 0.00 C ATOM 2195 C VAL A 137 8.951 -7.840 1.922 1.00 0.00 C ATOM 2196 O VAL A 137 9.043 -8.714 1.059 1.00 0.00 O ATOM 2197 CB VAL A 137 11.338 -7.876 2.650 1.00 0.00 C ATOM 2198 CG1 VAL A 137 11.682 -6.604 1.890 1.00 0.00 C ATOM 2199 CG2 VAL A 137 12.285 -8.077 3.824 1.00 0.00 C ATOM 0 H VAL A 137 10.164 -9.782 3.871 1.00 0.00 H new ATOM 0 HA VAL A 137 9.717 -6.930 3.713 1.00 0.00 H new ATOM 0 HB VAL A 137 11.454 -8.720 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 137 12.719 -6.649 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 137 11.026 -6.508 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 137 11.549 -5.742 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 137 13.313 -8.100 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 137 12.167 -7.256 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 137 12.054 -9.019 4.321 1.00 0.00 H new ATOM 2209 N THR A 138 8.060 -6.857 1.864 1.00 0.00 N ATOM 2210 CA THR A 138 7.117 -6.745 0.757 1.00 0.00 C ATOM 2211 C THR A 138 7.110 -5.329 0.189 1.00 0.00 C ATOM 2212 O THR A 138 6.686 -4.384 0.855 1.00 0.00 O ATOM 2213 CB THR A 138 5.710 -7.128 1.217 1.00 0.00 C ATOM 2214 OG1 THR A 138 5.702 -8.432 1.771 1.00 0.00 O ATOM 2215 CG2 THR A 138 4.686 -7.096 0.103 1.00 0.00 C ATOM 0 H THR A 138 7.971 -6.126 2.570 1.00 0.00 H new ATOM 0 HA THR A 138 7.435 -7.431 -0.028 1.00 0.00 H new ATOM 0 HB THR A 138 5.436 -6.380 1.961 1.00 0.00 H new ATOM 0 HG1 THR A 138 4.794 -8.659 2.061 1.00 0.00 H new ATOM 0 HG21 THR A 138 3.710 -7.378 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 138 4.632 -6.090 -0.313 1.00 0.00 H new ATOM 0 HG23 THR A 138 4.977 -7.797 -0.679 1.00 0.00 H new ATOM 2223 N PHE A 139 7.582 -5.190 -1.045 1.00 0.00 N ATOM 2224 CA PHE A 139 7.630 -3.890 -1.704 1.00 0.00 C ATOM 2225 C PHE A 139 6.297 -3.571 -2.374 1.00 0.00 C ATOM 2226 O PHE A 139 5.820 -4.327 -3.220 1.00 0.00 O ATOM 2227 CB PHE A 139 8.755 -3.860 -2.741 1.00 0.00 C ATOM 2228 CG PHE A 139 9.290 -2.483 -3.007 1.00 0.00 C ATOM 2229 CD1 PHE A 139 10.094 -1.846 -2.075 1.00 0.00 C ATOM 2230 CD2 PHE A 139 8.988 -1.825 -4.189 1.00 0.00 C ATOM 2231 CE1 PHE A 139 10.589 -0.578 -2.318 1.00 0.00 C ATOM 2232 CE2 PHE A 139 9.479 -0.557 -4.437 1.00 0.00 C ATOM 2233 CZ PHE A 139 10.280 0.067 -3.501 1.00 0.00 C ATOM 0 H PHE A 139 7.937 -5.962 -1.609 1.00 0.00 H new ATOM 0 HA PHE A 139 7.826 -3.133 -0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 139 9.570 -4.498 -2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 139 8.388 -4.285 -3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 139 10.337 -2.346 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 139 8.362 -2.308 -4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 139 11.216 -0.092 -1.585 1.00 0.00 H new ATOM 0 HE2 PHE A 139 9.236 -0.055 -5.362 1.00 0.00 H new ATOM 0 HZ PHE A 139 10.665 1.058 -3.693 1.00 0.00 H new ATOM 2243 N GLN A 140 5.700 -2.448 -1.989 1.00 0.00 N ATOM 2244 CA GLN A 140 4.421 -2.029 -2.552 1.00 0.00 C ATOM 2245 C GLN A 140 4.591 -0.792 -3.427 1.00 0.00 C ATOM 2246 O GLN A 140 5.560 -0.046 -3.286 1.00 0.00 O ATOM 2247 CB GLN A 140 3.417 -1.744 -1.434 1.00 0.00 C ATOM 2248 CG GLN A 140 3.839 -0.613 -0.510 1.00 0.00 C ATOM 2249 CD GLN A 140 2.674 -0.022 0.259 1.00 0.00 C ATOM 2250 OE1 GLN A 140 1.927 -0.739 0.925 1.00 0.00 O ATOM 2251 NE2 GLN A 140 2.512 1.292 0.170 1.00 0.00 N ATOM 0 H GLN A 140 6.081 -1.811 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 140 4.042 -2.841 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 140 2.452 -1.499 -1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.276 -2.650 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.584 -0.983 0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 140 4.317 0.171 -1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 140 3.155 1.848 -0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 140 1.744 1.746 0.665 1.00 0.00 H new ATOM 2260 N MET A 141 3.640 -0.578 -4.330 1.00 0.00 N ATOM 2261 CA MET A 141 3.682 0.570 -5.229 1.00 0.00 C ATOM 2262 C MET A 141 2.355 1.323 -5.212 1.00 0.00 C ATOM 2263 O MET A 141 1.302 0.752 -5.494 1.00 0.00 O ATOM 2264 CB MET A 141 4.007 0.118 -6.653 1.00 0.00 C ATOM 2265 CG MET A 141 5.193 -0.829 -6.736 1.00 0.00 C ATOM 2266 SD MET A 141 5.682 -1.183 -8.436 1.00 0.00 S ATOM 2267 CE MET A 141 7.322 -1.858 -8.182 1.00 0.00 C ATOM 0 H MET A 141 2.830 -1.185 -4.459 1.00 0.00 H new ATOM 0 HA MET A 141 4.466 1.243 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 141 3.131 -0.372 -7.078 1.00 0.00 H new ATOM 0 HB3 MET A 141 4.210 0.996 -7.266 1.00 0.00 H new ATOM 0 HG2 MET A 141 6.038 -0.394 -6.202 1.00 0.00 H new ATOM 0 HG3 MET A 141 4.943 -1.763 -6.232 1.00 0.00 H new ATOM 0 HE1 MET A 141 7.758 -2.126 -9.144 1.00 0.00 H new ATOM 0 HE2 MET A 141 7.950 -1.113 -7.694 1.00 0.00 H new ATOM 0 HE3 MET A 141 7.257 -2.746 -7.553 1.00 0.00 H new ATOM 2277 N THR A 142 2.415 2.609 -4.879 1.00 0.00 N ATOM 2278 CA THR A 142 1.217 3.440 -4.826 1.00 0.00 C ATOM 2279 C THR A 142 1.098 4.304 -6.077 1.00 0.00 C ATOM 2280 O THR A 142 2.049 4.982 -6.468 1.00 0.00 O ATOM 2281 CB THR A 142 1.243 4.328 -3.580 1.00 0.00 C ATOM 2282 OG1 THR A 142 1.808 3.633 -2.482 1.00 0.00 O ATOM 2283 CG2 THR A 142 -0.128 4.811 -3.161 1.00 0.00 C ATOM 0 H THR A 142 3.279 3.097 -4.642 1.00 0.00 H new ATOM 0 HA THR A 142 0.350 2.781 -4.778 1.00 0.00 H new ATOM 0 HB THR A 142 1.847 5.193 -3.854 1.00 0.00 H new ATOM 0 HG1 THR A 142 2.643 4.070 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 142 -0.038 5.435 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 142 -0.572 5.393 -3.969 1.00 0.00 H new ATOM 0 HG23 THR A 142 -0.764 3.954 -2.940 1.00 0.00 H new ATOM 2291 N TYR A 143 -0.075 4.276 -6.701 1.00 0.00 N ATOM 2292 CA TYR A 143 -0.317 5.056 -7.908 1.00 0.00 C ATOM 2293 C TYR A 143 -1.209 6.258 -7.609 1.00 0.00 C ATOM 2294 O TYR A 143 -2.234 6.130 -6.940 1.00 0.00 O ATOM 2295 CB TYR A 143 -0.960 4.181 -8.986 1.00 0.00 C ATOM 2296 CG TYR A 143 -0.233 4.221 -10.313 1.00 0.00 C ATOM 2297 CD1 TYR A 143 0.201 5.425 -10.852 1.00 0.00 C ATOM 2298 CD2 TYR A 143 0.019 3.055 -11.024 1.00 0.00 C ATOM 2299 CE1 TYR A 143 0.865 5.466 -12.064 1.00 0.00 C ATOM 2300 CE2 TYR A 143 0.682 3.087 -12.235 1.00 0.00 C ATOM 2301 CZ TYR A 143 1.104 4.293 -12.751 1.00 0.00 C ATOM 2302 OH TYR A 143 1.765 4.330 -13.956 1.00 0.00 O ATOM 0 H TYR A 143 -0.873 3.721 -6.390 1.00 0.00 H new ATOM 0 HA TYR A 143 0.643 5.422 -8.274 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.996 3.151 -8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -1.991 4.503 -9.136 1.00 0.00 H new ATOM 0 HD1 TYR A 143 0.017 6.344 -10.316 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -0.309 2.107 -10.623 1.00 0.00 H new ATOM 0 HE1 TYR A 143 1.195 6.411 -12.471 1.00 0.00 H new ATOM 0 HE2 TYR A 143 0.869 2.171 -12.775 1.00 0.00 H new ATOM 0 HH TYR A 143 1.853 3.420 -14.309 1.00 0.00 H new ATOM 2312 N ILE A 144 -0.811 7.423 -8.109 1.00 0.00 N ATOM 2313 CA ILE A 144 -1.575 8.646 -7.895 1.00 0.00 C ATOM 2314 C ILE A 144 -2.548 8.893 -9.049 1.00 0.00 C ATOM 2315 O ILE A 144 -2.174 8.785 -10.217 1.00 0.00 O ATOM 2316 CB ILE A 144 -0.645 9.867 -7.743 1.00 0.00 C ATOM 2317 CG1 ILE A 144 -1.454 11.118 -7.393 1.00 0.00 C ATOM 2318 CG2 ILE A 144 0.159 10.089 -9.016 1.00 0.00 C ATOM 2319 CD1 ILE A 144 -1.692 11.288 -5.908 1.00 0.00 C ATOM 0 H ILE A 144 0.035 7.546 -8.665 1.00 0.00 H new ATOM 0 HA ILE A 144 -2.140 8.515 -6.972 1.00 0.00 H new ATOM 0 HB ILE A 144 0.051 9.669 -6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -0.932 11.996 -7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -2.416 11.074 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.809 10.955 -8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 144 0.765 9.207 -9.222 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -0.521 10.265 -9.850 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -2.271 12.195 -5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -2.242 10.427 -5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -0.735 11.364 -5.392 1.00 0.00 H new ATOM 2331 N PRO A 145 -3.813 9.230 -8.738 1.00 0.00 N ATOM 2332 CA PRO A 145 -4.832 9.490 -9.761 1.00 0.00 C ATOM 2333 C PRO A 145 -4.595 10.809 -10.489 1.00 0.00 C ATOM 2334 O PRO A 145 -3.996 11.733 -9.941 1.00 0.00 O ATOM 2335 CB PRO A 145 -6.132 9.548 -8.958 1.00 0.00 C ATOM 2336 CG PRO A 145 -5.714 9.978 -7.595 1.00 0.00 C ATOM 2337 CD PRO A 145 -4.351 9.382 -7.372 1.00 0.00 C ATOM 0 HA PRO A 145 -4.832 8.730 -10.542 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -6.838 10.253 -9.397 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -6.626 8.577 -8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -5.681 11.065 -7.522 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -6.420 9.629 -6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -3.723 10.033 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -4.412 8.424 -6.856 1.00 0.00 H new ATOM 2345 N GLY A 146 -5.071 10.888 -11.728 1.00 0.00 N ATOM 2346 CA GLY A 146 -4.902 12.098 -12.511 1.00 0.00 C ATOM 2347 C GLY A 146 -6.160 12.943 -12.551 1.00 0.00 C ATOM 2348 O GLY A 146 -7.073 12.671 -13.329 1.00 0.00 O ATOM 0 H GLY A 146 -5.570 10.136 -12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -4.086 12.687 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -4.614 11.832 -13.528 1.00 0.00 H new ATOM 2352 N THR A 147 -6.207 13.970 -11.709 1.00 0.00 N ATOM 2353 CA THR A 147 -7.364 14.858 -11.650 1.00 0.00 C ATOM 2354 C THR A 147 -7.558 15.585 -12.977 1.00 0.00 C ATOM 2355 O THR A 147 -8.670 15.654 -13.501 1.00 0.00 O ATOM 2356 CB THR A 147 -7.197 15.873 -10.518 1.00 0.00 C ATOM 2357 OG1 THR A 147 -6.307 15.382 -9.532 1.00 0.00 O ATOM 2358 CG2 THR A 147 -8.499 16.220 -9.830 1.00 0.00 C ATOM 0 H THR A 147 -5.458 14.208 -11.058 1.00 0.00 H new ATOM 0 HA THR A 147 -8.248 14.251 -11.456 1.00 0.00 H new ATOM 0 HB THR A 147 -6.804 16.773 -10.991 1.00 0.00 H new ATOM 0 HG1 THR A 147 -6.212 16.046 -8.817 1.00 0.00 H new ATOM 0 HG21 THR A 147 -8.310 16.944 -9.038 1.00 0.00 H new ATOM 0 HG22 THR A 147 -9.191 16.648 -10.555 1.00 0.00 H new ATOM 0 HG23 THR A 147 -8.935 15.318 -9.401 1.00 0.00 H new ATOM 2366 N TYR A 148 -6.470 16.127 -13.514 1.00 0.00 N ATOM 2367 CA TYR A 148 -6.522 16.851 -14.779 1.00 0.00 C ATOM 2368 C TYR A 148 -5.140 16.924 -15.421 1.00 0.00 C ATOM 2369 O TYR A 148 -4.898 16.322 -16.467 1.00 0.00 O ATOM 2370 CB TYR A 148 -7.072 18.262 -14.562 1.00 0.00 C ATOM 2371 CG TYR A 148 -8.000 18.725 -15.663 1.00 0.00 C ATOM 2372 CD1 TYR A 148 -7.537 18.903 -16.960 1.00 0.00 C ATOM 2373 CD2 TYR A 148 -9.340 18.985 -15.404 1.00 0.00 C ATOM 2374 CE1 TYR A 148 -8.382 19.327 -17.968 1.00 0.00 C ATOM 2375 CE2 TYR A 148 -10.192 19.409 -16.406 1.00 0.00 C ATOM 2376 CZ TYR A 148 -9.707 19.578 -17.687 1.00 0.00 C ATOM 2377 OH TYR A 148 -10.552 20.000 -18.687 1.00 0.00 O ATOM 0 H TYR A 148 -5.542 16.079 -13.093 1.00 0.00 H new ATOM 0 HA TYR A 148 -7.187 16.310 -15.452 1.00 0.00 H new ATOM 0 HB2 TYR A 148 -7.605 18.293 -13.612 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -6.238 18.960 -14.483 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -6.499 18.707 -17.185 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -9.722 18.854 -14.403 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -8.005 19.461 -18.971 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -11.231 19.607 -16.188 1.00 0.00 H new ATOM 0 HH TYR A 148 -11.452 20.131 -18.322 1.00 0.00 H new ATOM 2387 N ASN A 149 -4.237 17.665 -14.787 1.00 0.00 N ATOM 2388 CA ASN A 149 -2.879 17.818 -15.296 1.00 0.00 C ATOM 2389 C ASN A 149 -1.882 17.069 -14.418 1.00 0.00 C ATOM 2390 O ASN A 149 -2.039 17.004 -13.199 1.00 0.00 O ATOM 2391 CB ASN A 149 -2.502 19.298 -15.367 1.00 0.00 C ATOM 2392 CG ASN A 149 -1.136 19.518 -15.987 1.00 0.00 C ATOM 2393 OD1 ASN A 149 -0.149 19.736 -15.284 1.00 0.00 O ATOM 2394 ND2 ASN A 149 -1.072 19.462 -17.314 1.00 0.00 N ATOM 0 H ASN A 149 -4.421 18.169 -13.920 1.00 0.00 H new ATOM 0 HA ASN A 149 -2.844 17.393 -16.299 1.00 0.00 H new ATOM 0 HB2 ASN A 149 -3.252 19.834 -15.949 1.00 0.00 H new ATOM 0 HB3 ASN A 149 -2.515 19.722 -14.363 1.00 0.00 H new ATOM 0 HD21 ASN A 149 -0.180 19.602 -17.788 1.00 0.00 H new ATOM 0 HD22 ASN A 149 -1.915 19.279 -17.858 1.00 0.00 H new ATOM 2401 N ASN A 150 -0.855 16.504 -15.046 1.00 0.00 N ATOM 2402 CA ASN A 150 0.168 15.760 -14.323 1.00 0.00 C ATOM 2403 C ASN A 150 -0.441 14.573 -13.585 1.00 0.00 C ATOM 2404 O ASN A 150 -1.620 14.262 -13.754 1.00 0.00 O ATOM 2405 CB ASN A 150 0.891 16.677 -13.333 1.00 0.00 C ATOM 2406 CG ASN A 150 2.391 16.454 -13.326 1.00 0.00 C ATOM 2407 OD1 ASN A 150 2.910 15.672 -12.529 1.00 0.00 O ATOM 2408 ND2 ASN A 150 3.095 17.141 -14.217 1.00 0.00 N ATOM 0 H ASN A 150 -0.710 16.548 -16.055 1.00 0.00 H new ATOM 0 HA ASN A 150 0.888 15.381 -15.049 1.00 0.00 H new ATOM 0 HB2 ASN A 150 0.682 17.716 -13.586 1.00 0.00 H new ATOM 0 HB3 ASN A 150 0.497 16.508 -12.331 1.00 0.00 H new ATOM 0 HD21 ASN A 150 4.108 17.032 -14.260 1.00 0.00 H new ATOM 0 HD22 ASN A 150 2.623 17.778 -14.858 1.00 0.00 H new ATOM 2415 N GLY A 151 0.372 13.911 -12.766 1.00 0.00 N ATOM 2416 CA GLY A 151 -0.106 12.765 -12.015 1.00 0.00 C ATOM 2417 C GLY A 151 0.392 11.451 -12.584 1.00 0.00 C ATOM 2418 O GLY A 151 -0.283 10.427 -12.483 1.00 0.00 O ATOM 0 H GLY A 151 1.352 14.148 -12.610 1.00 0.00 H new ATOM 0 HA2 GLY A 151 0.217 12.854 -10.978 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -1.196 12.766 -12.011 1.00 0.00 H new ATOM 2422 N ASN A 152 1.578 11.479 -13.184 1.00 0.00 N ATOM 2423 CA ASN A 152 2.166 10.281 -13.772 1.00 0.00 C ATOM 2424 C ASN A 152 3.376 9.818 -12.968 1.00 0.00 C ATOM 2425 O ASN A 152 4.330 9.271 -13.522 1.00 0.00 O ATOM 2426 CB ASN A 152 2.575 10.548 -15.223 1.00 0.00 C ATOM 2427 CG ASN A 152 2.912 9.274 -15.971 1.00 0.00 C ATOM 2428 OD1 ASN A 152 4.018 9.120 -16.492 1.00 0.00 O ATOM 2429 ND2 ASN A 152 1.959 8.352 -16.030 1.00 0.00 N ATOM 0 H ASN A 152 2.150 12.318 -13.276 1.00 0.00 H new ATOM 0 HA ASN A 152 1.415 9.491 -13.752 1.00 0.00 H new ATOM 0 HB2 ASN A 152 1.764 11.065 -15.737 1.00 0.00 H new ATOM 0 HB3 ASN A 152 3.438 11.214 -15.238 1.00 0.00 H new ATOM 0 HD21 ASN A 152 2.128 7.474 -16.521 1.00 0.00 H new ATOM 0 HD22 ASN A 152 1.057 8.521 -15.584 1.00 0.00 H new ATOM 2436 N VAL A 153 3.331 10.041 -11.659 1.00 0.00 N ATOM 2437 CA VAL A 153 4.423 9.646 -10.778 1.00 0.00 C ATOM 2438 C VAL A 153 4.008 8.493 -9.871 1.00 0.00 C ATOM 2439 O VAL A 153 2.872 8.436 -9.402 1.00 0.00 O ATOM 2440 CB VAL A 153 4.896 10.825 -9.906 1.00 0.00 C ATOM 2441 CG1 VAL A 153 5.615 11.862 -10.754 1.00 0.00 C ATOM 2442 CG2 VAL A 153 3.721 11.448 -9.169 1.00 0.00 C ATOM 0 H VAL A 153 2.549 10.493 -11.185 1.00 0.00 H new ATOM 0 HA VAL A 153 5.245 9.324 -11.418 1.00 0.00 H new ATOM 0 HB VAL A 153 5.600 10.446 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 153 5.942 12.687 -10.121 1.00 0.00 H new ATOM 0 HG12 VAL A 153 6.482 11.405 -11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 153 4.937 12.239 -11.520 1.00 0.00 H new ATOM 0 HG21 VAL A 153 4.074 12.279 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 153 2.991 11.813 -9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 153 3.255 10.699 -8.529 1.00 0.00 H new ATOM 2452 N TYR A 154 4.938 7.575 -9.627 1.00 0.00 N ATOM 2453 CA TYR A 154 4.670 6.421 -8.776 1.00 0.00 C ATOM 2454 C TYR A 154 5.484 6.494 -7.488 1.00 0.00 C ATOM 2455 O TYR A 154 6.680 6.788 -7.514 1.00 0.00 O ATOM 2456 CB TYR A 154 4.990 5.125 -9.522 1.00 0.00 C ATOM 2457 CG TYR A 154 6.352 5.123 -10.177 1.00 0.00 C ATOM 2458 CD1 TYR A 154 6.531 5.640 -11.454 1.00 0.00 C ATOM 2459 CD2 TYR A 154 7.460 4.605 -9.518 1.00 0.00 C ATOM 2460 CE1 TYR A 154 7.775 5.638 -12.057 1.00 0.00 C ATOM 2461 CE2 TYR A 154 8.707 4.602 -10.113 1.00 0.00 C ATOM 2462 CZ TYR A 154 8.859 5.120 -11.382 1.00 0.00 C ATOM 2463 OH TYR A 154 10.100 5.117 -11.978 1.00 0.00 O ATOM 0 H TYR A 154 5.884 7.608 -10.007 1.00 0.00 H new ATOM 0 HA TYR A 154 3.611 6.431 -8.517 1.00 0.00 H new ATOM 0 HB2 TYR A 154 4.931 4.290 -8.824 1.00 0.00 H new ATOM 0 HB3 TYR A 154 4.229 4.957 -10.285 1.00 0.00 H new ATOM 0 HD1 TYR A 154 5.684 6.050 -11.984 1.00 0.00 H new ATOM 0 HD2 TYR A 154 7.345 4.198 -8.524 1.00 0.00 H new ATOM 0 HE1 TYR A 154 7.897 6.040 -13.052 1.00 0.00 H new ATOM 0 HE2 TYR A 154 9.558 4.196 -9.587 1.00 0.00 H new ATOM 0 HH TYR A 154 10.755 4.718 -11.368 1.00 0.00 H new ATOM 2473 N PHE A 155 4.829 6.225 -6.364 1.00 0.00 N ATOM 2474 CA PHE A 155 5.494 6.260 -5.065 1.00 0.00 C ATOM 2475 C PHE A 155 5.733 4.849 -4.539 1.00 0.00 C ATOM 2476 O PHE A 155 4.835 4.006 -4.563 1.00 0.00 O ATOM 2477 CB PHE A 155 4.656 7.056 -4.063 1.00 0.00 C ATOM 2478 CG PHE A 155 4.732 8.543 -4.265 1.00 0.00 C ATOM 2479 CD1 PHE A 155 4.394 9.107 -5.485 1.00 0.00 C ATOM 2480 CD2 PHE A 155 5.139 9.376 -3.235 1.00 0.00 C ATOM 2481 CE1 PHE A 155 4.462 10.474 -5.674 1.00 0.00 C ATOM 2482 CE2 PHE A 155 5.208 10.743 -3.419 1.00 0.00 C ATOM 2483 CZ PHE A 155 4.869 11.293 -4.640 1.00 0.00 C ATOM 0 H PHE A 155 3.839 5.981 -6.325 1.00 0.00 H new ATOM 0 HA PHE A 155 6.460 6.749 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 155 3.616 6.740 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 155 4.988 6.817 -3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 155 4.074 8.471 -6.297 1.00 0.00 H new ATOM 0 HD2 PHE A 155 5.405 8.952 -2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 155 4.197 10.901 -6.630 1.00 0.00 H new ATOM 0 HE2 PHE A 155 5.527 11.382 -2.609 1.00 0.00 H new ATOM 0 HZ PHE A 155 4.922 12.362 -4.785 1.00 0.00 H new ATOM 2493 N ALA A 156 6.948 4.598 -4.064 1.00 0.00 N ATOM 2494 CA ALA A 156 7.305 3.289 -3.531 1.00 0.00 C ATOM 2495 C ALA A 156 7.313 3.302 -2.006 1.00 0.00 C ATOM 2496 O ALA A 156 7.429 4.358 -1.385 1.00 0.00 O ATOM 2497 CB ALA A 156 8.661 2.854 -4.064 1.00 0.00 C ATOM 0 H ALA A 156 7.702 5.284 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 156 6.552 2.572 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 156 8.915 1.875 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 156 8.623 2.797 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA A 156 9.419 3.578 -3.765 1.00 0.00 H new ATOM 2503 N TRP A 157 7.191 2.121 -1.409 1.00 0.00 N ATOM 2504 CA TRP A 157 7.185 1.996 0.044 1.00 0.00 C ATOM 2505 C TRP A 157 7.650 0.609 0.473 1.00 0.00 C ATOM 2506 O TRP A 157 7.592 -0.345 -0.303 1.00 0.00 O ATOM 2507 CB TRP A 157 5.784 2.269 0.594 1.00 0.00 C ATOM 2508 CG TRP A 157 5.330 3.682 0.388 1.00 0.00 C ATOM 2509 CD1 TRP A 157 4.715 4.192 -0.720 1.00 0.00 C ATOM 2510 CD2 TRP A 157 5.456 4.767 1.313 1.00 0.00 C ATOM 2511 NE1 TRP A 157 4.451 5.528 -0.538 1.00 0.00 N ATOM 2512 CE2 TRP A 157 4.896 5.905 0.701 1.00 0.00 C ATOM 2513 CE3 TRP A 157 5.988 4.888 2.600 1.00 0.00 C ATOM 2514 CZ2 TRP A 157 4.854 7.145 1.332 1.00 0.00 C ATOM 2515 CZ3 TRP A 157 5.945 6.120 3.225 1.00 0.00 C ATOM 2516 CH2 TRP A 157 5.382 7.234 2.591 1.00 0.00 C ATOM 0 H TRP A 157 7.095 1.237 -1.909 1.00 0.00 H new ATOM 0 HA TRP A 157 7.878 2.733 0.450 1.00 0.00 H new ATOM 0 HB2 TRP A 157 5.075 1.594 0.115 1.00 0.00 H new ATOM 0 HB3 TRP A 157 5.769 2.042 1.660 1.00 0.00 H new ATOM 0 HD1 TRP A 157 4.472 3.628 -1.608 1.00 0.00 H new ATOM 0 HE1 TRP A 157 3.997 6.140 -1.216 1.00 0.00 H new ATOM 0 HE3 TRP A 157 6.425 4.034 3.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 4.420 8.006 0.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 6.353 6.225 4.220 1.00 0.00 H new ATOM 0 HH2 TRP A 157 5.364 8.183 3.106 1.00 0.00 H new ATOM 2527 N MET A 158 8.113 0.504 1.715 1.00 0.00 N ATOM 2528 CA MET A 158 8.589 -0.767 2.249 1.00 0.00 C ATOM 2529 C MET A 158 7.655 -1.284 3.338 1.00 0.00 C ATOM 2530 O MET A 158 7.266 -0.542 4.240 1.00 0.00 O ATOM 2531 CB MET A 158 10.005 -0.610 2.808 1.00 0.00 C ATOM 2532 CG MET A 158 10.712 -1.933 3.054 1.00 0.00 C ATOM 2533 SD MET A 158 12.477 -1.856 2.691 1.00 0.00 S ATOM 2534 CE MET A 158 13.118 -3.039 3.872 1.00 0.00 C ATOM 0 H MET A 158 8.169 1.284 2.370 1.00 0.00 H new ATOM 0 HA MET A 158 8.605 -1.492 1.435 1.00 0.00 H new ATOM 0 HB2 MET A 158 10.597 -0.015 2.113 1.00 0.00 H new ATOM 0 HB3 MET A 158 9.958 -0.053 3.744 1.00 0.00 H new ATOM 0 HG2 MET A 158 10.572 -2.228 4.094 1.00 0.00 H new ATOM 0 HG3 MET A 158 10.252 -2.706 2.439 1.00 0.00 H new ATOM 0 HE1 MET A 158 14.201 -3.104 3.771 1.00 0.00 H new ATOM 0 HE2 MET A 158 12.867 -2.717 4.883 1.00 0.00 H new ATOM 0 HE3 MET A 158 12.677 -4.018 3.683 1.00 0.00 H new ATOM 2544 N ARG A 159 7.299 -2.562 3.249 1.00 0.00 N ATOM 2545 CA ARG A 159 6.411 -3.179 4.226 1.00 0.00 C ATOM 2546 C ARG A 159 7.113 -4.319 4.957 1.00 0.00 C ATOM 2547 O ARG A 159 7.461 -5.334 4.354 1.00 0.00 O ATOM 2548 CB ARG A 159 5.147 -3.700 3.540 1.00 0.00 C ATOM 2549 CG ARG A 159 4.079 -4.175 4.513 1.00 0.00 C ATOM 2550 CD ARG A 159 2.685 -4.029 3.924 1.00 0.00 C ATOM 2551 NE ARG A 159 2.262 -5.233 3.212 1.00 0.00 N ATOM 2552 CZ ARG A 159 1.803 -6.328 3.814 1.00 0.00 C ATOM 2553 NH1 ARG A 159 1.706 -6.375 5.137 1.00 0.00 N ATOM 2554 NH2 ARG A 159 1.441 -7.378 3.091 1.00 0.00 N ATOM 0 H ARG A 159 7.613 -3.190 2.509 1.00 0.00 H new ATOM 0 HA ARG A 159 6.133 -2.420 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 159 4.731 -2.910 2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 159 5.416 -4.523 2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 159 4.259 -5.219 4.771 1.00 0.00 H new ATOM 0 HG3 ARG A 159 4.147 -3.602 5.438 1.00 0.00 H new ATOM 0 HD2 ARG A 159 1.975 -3.812 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 159 2.667 -3.179 3.242 1.00 0.00 H new ATOM 0 HE ARG A 159 2.322 -5.234 2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 159 1.984 -5.569 5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 159 1.354 -7.217 5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 159 1.514 -7.347 2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 159 1.089 -8.217 3.551 1.00 0.00 H new ATOM 2568 N PHE A 160 7.317 -4.143 6.259 1.00 0.00 N ATOM 2569 CA PHE A 160 7.978 -5.158 7.072 1.00 0.00 C ATOM 2570 C PHE A 160 6.992 -5.807 8.038 1.00 0.00 C ATOM 2571 O PHE A 160 6.167 -5.128 8.648 1.00 0.00 O ATOM 2572 CB PHE A 160 9.140 -4.539 7.851 1.00 0.00 C ATOM 2573 CG PHE A 160 10.280 -5.489 8.084 1.00 0.00 C ATOM 2574 CD1 PHE A 160 10.149 -6.544 8.973 1.00 0.00 C ATOM 2575 CD2 PHE A 160 11.482 -5.326 7.415 1.00 0.00 C ATOM 2576 CE1 PHE A 160 11.196 -7.419 9.189 1.00 0.00 C ATOM 2577 CE2 PHE A 160 12.533 -6.199 7.627 1.00 0.00 C ATOM 2578 CZ PHE A 160 12.389 -7.247 8.515 1.00 0.00 C ATOM 0 H PHE A 160 7.035 -3.308 6.773 1.00 0.00 H new ATOM 0 HA PHE A 160 8.366 -5.928 6.405 1.00 0.00 H new ATOM 0 HB2 PHE A 160 9.508 -3.669 7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 160 8.773 -4.182 8.813 1.00 0.00 H new ATOM 0 HD1 PHE A 160 9.218 -6.684 9.503 1.00 0.00 H new ATOM 0 HD2 PHE A 160 11.599 -4.508 6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 160 11.082 -8.237 9.885 1.00 0.00 H new ATOM 0 HE2 PHE A 160 13.465 -6.062 7.099 1.00 0.00 H new ATOM 0 HZ PHE A 160 13.208 -7.931 8.682 1.00 0.00 H new ATOM 2588 N GLN A 161 7.084 -7.127 8.171 1.00 0.00 N ATOM 2589 CA GLN A 161 6.200 -7.868 9.063 1.00 0.00 C ATOM 2590 C GLN A 161 7.002 -8.654 10.095 1.00 0.00 C ATOM 2591 O GLN A 161 7.831 -9.493 9.743 1.00 0.00 O ATOM 2592 CB GLN A 161 5.311 -8.819 8.258 1.00 0.00 C ATOM 2593 CG GLN A 161 4.590 -8.145 7.102 1.00 0.00 C ATOM 2594 CD GLN A 161 3.517 -9.026 6.492 1.00 0.00 C ATOM 2595 OE1 GLN A 161 3.514 -9.276 5.287 1.00 0.00 O ATOM 2596 NE2 GLN A 161 2.597 -9.499 7.325 1.00 0.00 N ATOM 0 H GLN A 161 7.761 -7.704 7.673 1.00 0.00 H new ATOM 0 HA GLN A 161 5.571 -7.150 9.589 1.00 0.00 H new ATOM 0 HB2 GLN A 161 5.923 -9.633 7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 161 4.573 -9.265 8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 161 4.138 -7.217 7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 161 5.315 -7.876 6.334 1.00 0.00 H new ATOM 0 HE21 GLN A 161 2.639 -9.266 8.317 1.00 0.00 H new ATOM 0 HE22 GLN A 161 1.849 -10.096 6.973 1.00 0.00 H new ATOM 2605 N PHE A 162 6.749 -8.378 11.369 1.00 0.00 N ATOM 2606 CA PHE A 162 7.447 -9.059 12.454 1.00 0.00 C ATOM 2607 C PHE A 162 6.498 -9.973 13.222 1.00 0.00 C ATOM 2608 O PHE A 162 5.291 -9.736 13.264 1.00 0.00 O ATOM 2609 CB PHE A 162 8.074 -8.038 13.406 1.00 0.00 C ATOM 2610 CG PHE A 162 9.011 -8.648 14.408 1.00 0.00 C ATOM 2611 CD1 PHE A 162 10.272 -9.078 14.025 1.00 0.00 C ATOM 2612 CD2 PHE A 162 8.632 -8.792 15.733 1.00 0.00 C ATOM 2613 CE1 PHE A 162 11.137 -9.639 14.945 1.00 0.00 C ATOM 2614 CE2 PHE A 162 9.492 -9.354 16.657 1.00 0.00 C ATOM 2615 CZ PHE A 162 10.746 -9.777 16.263 1.00 0.00 C ATOM 0 H PHE A 162 6.065 -7.687 11.677 1.00 0.00 H new ATOM 0 HA PHE A 162 8.237 -9.670 12.017 1.00 0.00 H new ATOM 0 HB2 PHE A 162 8.614 -7.293 12.822 1.00 0.00 H new ATOM 0 HB3 PHE A 162 7.280 -7.512 13.936 1.00 0.00 H new ATOM 0 HD1 PHE A 162 10.582 -8.973 12.996 1.00 0.00 H new ATOM 0 HD2 PHE A 162 7.653 -8.461 16.047 1.00 0.00 H new ATOM 0 HE1 PHE A 162 12.117 -9.969 14.634 1.00 0.00 H new ATOM 0 HE2 PHE A 162 9.184 -9.462 17.686 1.00 0.00 H new ATOM 0 HZ PHE A 162 11.420 -10.215 16.984 1.00 0.00 H new ATOM 2625 N LEU A 163 7.052 -11.017 13.829 1.00 0.00 N ATOM 2626 CA LEU A 163 6.255 -11.966 14.598 1.00 0.00 C ATOM 2627 C LEU A 163 6.878 -12.218 15.967 1.00 0.00 C ATOM 2628 O LEU A 163 8.098 -12.315 16.095 1.00 0.00 O ATOM 2629 CB LEU A 163 6.121 -13.286 13.835 1.00 0.00 C ATOM 2630 CG LEU A 163 4.954 -13.349 12.847 1.00 0.00 C ATOM 2631 CD1 LEU A 163 5.143 -14.499 11.871 1.00 0.00 C ATOM 2632 CD2 LEU A 163 3.635 -13.489 13.593 1.00 0.00 C ATOM 0 H LEU A 163 8.050 -11.228 13.803 1.00 0.00 H new ATOM 0 HA LEU A 163 5.264 -11.535 14.744 1.00 0.00 H new ATOM 0 HB2 LEU A 163 7.048 -13.469 13.291 1.00 0.00 H new ATOM 0 HB3 LEU A 163 6.010 -14.095 14.557 1.00 0.00 H new ATOM 0 HG LEU A 163 4.931 -12.419 12.278 1.00 0.00 H new ATOM 0 HD11 LEU A 163 4.304 -14.528 11.176 1.00 0.00 H new ATOM 0 HD12 LEU A 163 6.070 -14.356 11.315 1.00 0.00 H new ATOM 0 HD13 LEU A 163 5.192 -15.439 12.421 1.00 0.00 H new ATOM 0 HD21 LEU A 163 2.815 -13.532 12.877 1.00 0.00 H new ATOM 0 HD22 LEU A 163 3.648 -14.403 14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 163 3.497 -12.631 14.251 1.00 0.00 H new