USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 836 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 20 CYS SG : rot 180:sc= -0.569 USER MOD Set 1.2: A 44 ASN : amide:sc= -1.2 K(o=-0.58,f=-1.4!) USER MOD Set 1.3: A 55 SER OG : rot -86:sc= 1.19 USER MOD Single : A 3 GLN : amide:sc= -0.948 K(o=-0.95,f=0.58) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 143:sc= 0.778 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 77:sc= 0.121 USER MOD Single : A 27 GLN : amide:sc= 0.738 K(o=0.74,f=-6.9!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 1.03 K(o=1,f=-4.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0182 K(o=-0.018,f=-4.4!) USER MOD Single : A 43 SER OG : rot -170:sc= 0.598 USER MOD Single : A 51 SER OG : rot 22:sc= 0.288 USER MOD Single : A 52 SER OG : rot 180:sc= 0.468 USER MOD Single : A 62 HIS : no HD1:sc= -0.0621 X(o=-0.062,f=-0.23) USER MOD Single : A 63 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.26) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 1.03 K(o=1,f=-5.8!) USER MOD Single : A 80 SER OG : rot -162:sc= 1.28 USER MOD Single : A 84 CYS SG : rot -70:sc= -2.84! USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 91 SER OG : rot 85:sc= 1.11 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= 0.243 K(o=0.24,f=-1.5) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= 0.997 (180deg=0.766) USER MOD Single : A 105 GLN : amide:sc= -0.0226 K(o=-0.023,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -15.513 6.750 5.892 1.00 0.00 N ATOM 29 CA GLN A 3 -15.766 6.496 4.482 1.00 0.00 C ATOM 30 C GLN A 3 -15.023 5.264 3.985 1.00 0.00 C ATOM 31 O GLN A 3 -13.799 5.277 3.863 1.00 0.00 O ATOM 32 CB GLN A 3 -15.360 7.703 3.624 1.00 0.00 C ATOM 33 CG GLN A 3 -16.034 9.015 4.005 1.00 0.00 C ATOM 34 CD GLN A 3 -15.272 9.802 5.058 1.00 0.00 C ATOM 35 OE1 GLN A 3 -14.596 9.238 5.917 1.00 0.00 O ATOM 36 NE2 GLN A 3 -15.358 11.119 4.983 1.00 0.00 N ATOM 0 HA GLN A 3 -16.837 6.321 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.280 7.833 3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.589 7.483 2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -16.145 9.630 3.112 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.038 8.805 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.928 11.552 4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.854 11.702 5.651 1.00 0.00 H new ATOM 45 N TRP A 4 -15.766 4.199 3.722 1.00 0.00 N ATOM 46 CA TRP A 4 -15.217 3.045 3.031 1.00 0.00 C ATOM 47 C TRP A 4 -15.289 3.279 1.530 1.00 0.00 C ATOM 48 O TRP A 4 -16.261 2.896 0.877 1.00 0.00 O ATOM 49 CB TRP A 4 -15.973 1.760 3.388 1.00 0.00 C ATOM 50 CG TRP A 4 -15.702 1.241 4.768 1.00 0.00 C ATOM 51 CD1 TRP A 4 -16.515 1.347 5.859 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.540 0.524 5.202 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.932 0.732 6.941 1.00 0.00 N ATOM 54 CE2 TRP A 4 -14.719 0.224 6.565 1.00 0.00 C ATOM 55 CE3 TRP A 4 -13.367 0.104 4.573 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -13.770 -0.475 7.307 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -12.426 -0.587 5.310 1.00 0.00 C ATOM 58 CH2 TRP A 4 -12.632 -0.872 6.664 1.00 0.00 C ATOM 0 H TRP A 4 -16.750 4.111 3.977 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.181 2.921 3.345 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -17.043 1.943 3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.711 0.987 2.665 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -17.475 1.841 5.870 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -16.338 0.665 7.874 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.198 0.316 3.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -13.928 -0.695 8.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.514 -0.914 4.832 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -11.877 -1.416 7.211 1.00 0.00 H new ATOM 69 N LYS A 5 -14.276 3.944 0.997 1.00 0.00 N ATOM 70 CA LYS A 5 -14.235 4.258 -0.421 1.00 0.00 C ATOM 71 C LYS A 5 -13.977 2.997 -1.231 1.00 0.00 C ATOM 72 O LYS A 5 -12.887 2.423 -1.176 1.00 0.00 O ATOM 73 CB LYS A 5 -13.156 5.310 -0.706 1.00 0.00 C ATOM 74 CG LYS A 5 -12.872 5.541 -2.188 1.00 0.00 C ATOM 75 CD LYS A 5 -14.079 6.095 -2.934 1.00 0.00 C ATOM 76 CE LYS A 5 -13.787 6.236 -4.422 1.00 0.00 C ATOM 77 NZ LYS A 5 -14.942 6.794 -5.176 1.00 0.00 N ATOM 0 H LYS A 5 -13.470 4.277 1.527 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.201 4.669 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.460 6.255 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.232 5.006 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.036 6.233 -2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.566 4.601 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.934 5.435 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.352 7.066 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.920 6.882 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.526 5.261 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.695 6.871 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.763 6.165 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.177 7.737 -4.804 1.00 0.00 H new ATOM 91 N ASP A 6 -15.001 2.546 -1.937 1.00 0.00 N ATOM 92 CA ASP A 6 -14.864 1.424 -2.850 1.00 0.00 C ATOM 93 C ASP A 6 -13.966 1.820 -4.018 1.00 0.00 C ATOM 94 O ASP A 6 -14.235 2.788 -4.732 1.00 0.00 O ATOM 95 CB ASP A 6 -16.240 0.951 -3.344 1.00 0.00 C ATOM 96 CG ASP A 6 -17.028 2.031 -4.061 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.530 2.961 -3.388 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.154 1.954 -5.299 1.00 0.00 O ATOM 0 H ASP A 6 -15.940 2.942 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.402 0.590 -2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.105 0.104 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.820 0.593 -2.493 1.00 0.00 H new ATOM 103 N ILE A 7 -12.878 1.090 -4.184 1.00 0.00 N ATOM 104 CA ILE A 7 -11.881 1.423 -5.192 1.00 0.00 C ATOM 105 C ILE A 7 -12.096 0.615 -6.462 1.00 0.00 C ATOM 106 O ILE A 7 -12.502 1.147 -7.494 1.00 0.00 O ATOM 107 CB ILE A 7 -10.456 1.155 -4.665 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.223 1.917 -3.361 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.418 1.544 -5.709 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.284 3.420 -3.516 1.00 0.00 C ATOM 0 H ILE A 7 -12.660 0.260 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.992 2.484 -5.417 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.353 0.088 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.969 1.605 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.248 1.641 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.419 1.348 -5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.576 0.958 -6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.515 2.605 -5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.109 3.893 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.519 3.744 -4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.267 3.708 -3.888 1.00 0.00 H new ATOM 122 N CYS A 8 -11.815 -0.670 -6.364 1.00 0.00 N ATOM 123 CA CYS A 8 -11.931 -1.584 -7.483 1.00 0.00 C ATOM 124 C CYS A 8 -12.169 -2.979 -6.935 1.00 0.00 C ATOM 125 O CYS A 8 -12.525 -3.124 -5.765 1.00 0.00 O ATOM 126 CB CYS A 8 -10.660 -1.541 -8.330 1.00 0.00 C ATOM 127 SG CYS A 8 -9.154 -1.971 -7.423 1.00 0.00 S ATOM 0 H CYS A 8 -11.498 -1.111 -5.501 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.765 -1.296 -8.123 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.773 -2.225 -9.171 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.547 -0.540 -8.747 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.362 -2.653 -8.196 1.00 0.00 H new ATOM 133 N LYS A 9 -11.947 -4.008 -7.729 1.00 0.00 N ATOM 134 CA LYS A 9 -12.228 -5.349 -7.261 1.00 0.00 C ATOM 135 C LYS A 9 -10.945 -6.072 -6.909 1.00 0.00 C ATOM 136 O LYS A 9 -9.853 -5.656 -7.289 1.00 0.00 O ATOM 137 CB LYS A 9 -13.020 -6.148 -8.297 1.00 0.00 C ATOM 138 CG LYS A 9 -14.424 -5.616 -8.533 1.00 0.00 C ATOM 139 CD LYS A 9 -15.252 -6.584 -9.360 1.00 0.00 C ATOM 140 CE LYS A 9 -15.495 -7.886 -8.613 1.00 0.00 C ATOM 141 NZ LYS A 9 -16.224 -8.879 -9.443 1.00 0.00 N ATOM 0 H LYS A 9 -11.582 -3.945 -8.679 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.840 -5.263 -6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.475 -6.143 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.084 -7.186 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.914 -5.442 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.369 -4.654 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.207 -6.124 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.740 -6.792 -10.300 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.540 -8.307 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.066 -7.683 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.368 -9.751 -8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.147 -8.488 -9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.668 -9.094 -10.295 1.00 0.00 H new ATOM 155 N ILE A 10 -11.084 -7.160 -6.177 1.00 0.00 N ATOM 156 CA ILE A 10 -9.949 -7.994 -5.833 1.00 0.00 C ATOM 157 C ILE A 10 -9.508 -8.773 -7.077 1.00 0.00 C ATOM 158 O ILE A 10 -8.448 -9.398 -7.110 1.00 0.00 O ATOM 159 CB ILE A 10 -10.310 -8.962 -4.678 1.00 0.00 C ATOM 160 CG1 ILE A 10 -9.048 -9.541 -4.040 1.00 0.00 C ATOM 161 CG2 ILE A 10 -11.222 -10.080 -5.164 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.169 -8.496 -3.389 1.00 0.00 C ATOM 0 H ILE A 10 -11.976 -7.488 -5.807 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.128 -7.365 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.848 -8.391 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.335 -10.281 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.472 -10.065 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.459 -10.744 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.143 -9.652 -5.560 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.718 -10.646 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.292 -8.977 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.853 -7.769 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.728 -7.988 -2.603 1.00 0.00 H new ATOM 174 N ASP A 11 -10.349 -8.695 -8.107 1.00 0.00 N ATOM 175 CA ASP A 11 -10.115 -9.359 -9.381 1.00 0.00 C ATOM 176 C ASP A 11 -9.034 -8.653 -10.189 1.00 0.00 C ATOM 177 O ASP A 11 -8.256 -9.298 -10.893 1.00 0.00 O ATOM 178 CB ASP A 11 -11.406 -9.385 -10.206 1.00 0.00 C ATOM 179 CG ASP A 11 -12.520 -10.168 -9.545 1.00 0.00 C ATOM 180 OD1 ASP A 11 -13.031 -9.715 -8.502 1.00 0.00 O ATOM 181 OD2 ASP A 11 -12.908 -11.224 -10.086 1.00 0.00 O ATOM 0 H ASP A 11 -11.219 -8.163 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.785 -10.375 -9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.741 -8.362 -10.377 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.196 -9.819 -11.184 1.00 0.00 H new ATOM 186 N ASP A 12 -8.994 -7.326 -10.108 1.00 0.00 N ATOM 187 CA ASP A 12 -8.040 -6.555 -10.899 1.00 0.00 C ATOM 188 C ASP A 12 -6.752 -6.333 -10.119 1.00 0.00 C ATOM 189 O ASP A 12 -5.781 -5.783 -10.638 1.00 0.00 O ATOM 190 CB ASP A 12 -8.640 -5.217 -11.372 1.00 0.00 C ATOM 191 CG ASP A 12 -8.973 -4.260 -10.255 1.00 0.00 C ATOM 192 OD1 ASP A 12 -10.101 -4.337 -9.734 1.00 0.00 O ATOM 193 OD2 ASP A 12 -8.125 -3.399 -9.931 1.00 0.00 O ATOM 0 H ASP A 12 -9.603 -6.768 -9.510 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.805 -7.135 -11.791 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.936 -4.735 -12.050 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.546 -5.420 -11.944 1.00 0.00 H new ATOM 198 N ILE A 13 -6.745 -6.779 -8.870 1.00 0.00 N ATOM 199 CA ILE A 13 -5.534 -6.764 -8.065 1.00 0.00 C ATOM 200 C ILE A 13 -4.986 -8.177 -7.944 1.00 0.00 C ATOM 201 O ILE A 13 -5.383 -8.946 -7.063 1.00 0.00 O ATOM 202 CB ILE A 13 -5.771 -6.169 -6.661 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.473 -4.815 -6.773 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.446 -6.016 -5.924 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.746 -4.159 -5.438 1.00 0.00 C ATOM 0 H ILE A 13 -7.565 -7.155 -8.394 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.810 -6.123 -8.569 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.409 -6.848 -6.096 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.860 -4.147 -7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.417 -4.948 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.626 -5.595 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.971 -6.992 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.791 -5.351 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.245 -3.203 -5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.385 -4.807 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.804 -3.993 -4.915 1.00 0.00 H new ATOM 217 N LEU A 14 -4.102 -8.518 -8.867 1.00 0.00 N ATOM 218 CA LEU A 14 -3.493 -9.837 -8.907 1.00 0.00 C ATOM 219 C LEU A 14 -2.649 -10.070 -7.657 1.00 0.00 C ATOM 220 O LEU A 14 -2.061 -9.129 -7.120 1.00 0.00 O ATOM 221 CB LEU A 14 -2.627 -9.967 -10.164 1.00 0.00 C ATOM 222 CG LEU A 14 -3.356 -9.691 -11.482 1.00 0.00 C ATOM 223 CD1 LEU A 14 -2.371 -9.648 -12.637 1.00 0.00 C ATOM 224 CD2 LEU A 14 -4.429 -10.742 -11.734 1.00 0.00 C ATOM 0 H LEU A 14 -3.787 -7.891 -9.607 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.280 -10.591 -8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.786 -9.279 -10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.213 -10.975 -10.199 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.842 -8.718 -11.407 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.907 -9.451 -13.565 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.642 -8.857 -12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.856 -10.606 -12.712 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.935 -10.527 -12.675 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.967 -11.728 -11.787 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.154 -10.724 -10.920 1.00 0.00 H new ATOM 236 N PRO A 15 -2.597 -11.315 -7.168 1.00 0.00 N ATOM 237 CA PRO A 15 -1.792 -11.668 -5.995 1.00 0.00 C ATOM 238 C PRO A 15 -0.319 -11.315 -6.184 1.00 0.00 C ATOM 239 O PRO A 15 0.281 -11.658 -7.205 1.00 0.00 O ATOM 240 CB PRO A 15 -1.969 -13.185 -5.878 1.00 0.00 C ATOM 241 CG PRO A 15 -3.244 -13.475 -6.591 1.00 0.00 C ATOM 242 CD PRO A 15 -3.321 -12.476 -7.711 1.00 0.00 C ATOM 0 HA PRO A 15 -2.107 -11.124 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.132 -13.717 -6.331 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.019 -13.498 -4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.254 -14.495 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.098 -13.378 -5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.855 -12.853 -8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.353 -12.228 -7.961 1.00 0.00 H new ATOM 250 N GLU A 16 0.235 -10.616 -5.191 1.00 0.00 N ATOM 251 CA GLU A 16 1.631 -10.174 -5.193 1.00 0.00 C ATOM 252 C GLU A 16 1.821 -8.983 -6.135 1.00 0.00 C ATOM 253 O GLU A 16 2.887 -8.796 -6.719 1.00 0.00 O ATOM 254 CB GLU A 16 2.573 -11.334 -5.543 1.00 0.00 C ATOM 255 CG GLU A 16 2.525 -12.464 -4.524 1.00 0.00 C ATOM 256 CD GLU A 16 3.248 -13.715 -4.978 1.00 0.00 C ATOM 257 OE1 GLU A 16 3.826 -13.714 -6.083 1.00 0.00 O ATOM 258 OE2 GLU A 16 3.223 -14.723 -4.237 1.00 0.00 O ATOM 0 H GLU A 16 -0.278 -10.338 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 16 1.888 -9.840 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.309 -11.726 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.594 -10.958 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.965 -12.118 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.484 -12.711 -4.315 1.00 0.00 H new ATOM 265 N THR A 17 0.782 -8.152 -6.235 1.00 0.00 N ATOM 266 CA THR A 17 0.830 -6.952 -7.065 1.00 0.00 C ATOM 267 C THR A 17 0.283 -5.746 -6.296 1.00 0.00 C ATOM 268 O THR A 17 -0.512 -5.900 -5.364 1.00 0.00 O ATOM 269 CB THR A 17 -0.003 -7.122 -8.352 1.00 0.00 C ATOM 270 OG1 THR A 17 0.048 -8.479 -8.798 1.00 0.00 O ATOM 271 CG2 THR A 17 0.506 -6.213 -9.462 1.00 0.00 C ATOM 0 H THR A 17 -0.104 -8.291 -5.749 1.00 0.00 H new ATOM 0 HA THR A 17 1.875 -6.790 -7.330 1.00 0.00 H new ATOM 0 HB THR A 17 -1.032 -6.848 -8.118 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.540 -9.029 -8.239 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.101 -6.356 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.440 -5.174 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.544 -6.458 -9.686 1.00 0.00 H new ATOM 279 N GLY A 18 0.718 -4.556 -6.682 1.00 0.00 N ATOM 280 CA GLY A 18 0.182 -3.344 -6.098 1.00 0.00 C ATOM 281 C GLY A 18 -0.506 -2.485 -7.139 1.00 0.00 C ATOM 282 O GLY A 18 -0.073 -2.438 -8.290 1.00 0.00 O ATOM 0 H GLY A 18 1.435 -4.408 -7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.526 -3.601 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.987 -2.777 -5.631 1.00 0.00 H new ATOM 286 N VAL A 19 -1.584 -1.818 -6.750 1.00 0.00 N ATOM 287 CA VAL A 19 -2.326 -0.972 -7.675 1.00 0.00 C ATOM 288 C VAL A 19 -2.358 0.475 -7.196 1.00 0.00 C ATOM 289 O VAL A 19 -2.316 0.750 -5.993 1.00 0.00 O ATOM 290 CB VAL A 19 -3.774 -1.469 -7.886 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.785 -2.857 -8.508 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.549 -1.462 -6.576 1.00 0.00 C ATOM 0 H VAL A 19 -1.963 -1.846 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.800 -1.027 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.266 -0.783 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.815 -3.185 -8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.280 -2.827 -9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.267 -3.555 -7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.565 -1.816 -6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.056 -2.117 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.582 -0.448 -6.178 1.00 0.00 H new ATOM 302 N CYS A 20 -2.424 1.395 -8.146 1.00 0.00 N ATOM 303 CA CYS A 20 -2.483 2.813 -7.840 1.00 0.00 C ATOM 304 C CYS A 20 -3.930 3.245 -7.651 1.00 0.00 C ATOM 305 O CYS A 20 -4.729 3.194 -8.587 1.00 0.00 O ATOM 306 CB CYS A 20 -1.830 3.627 -8.964 1.00 0.00 C ATOM 307 SG CYS A 20 -1.831 5.415 -8.684 1.00 0.00 S ATOM 0 H CYS A 20 -2.438 1.181 -9.143 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.936 2.996 -6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.801 3.291 -9.090 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.350 3.417 -9.899 1.00 0.00 H new ATOM 0 HG CYS A 20 -1.257 6.012 -9.686 1.00 0.00 H new ATOM 313 N ALA A 21 -4.270 3.658 -6.441 1.00 0.00 N ATOM 314 CA ALA A 21 -5.624 4.087 -6.133 1.00 0.00 C ATOM 315 C ALA A 21 -5.622 5.499 -5.571 1.00 0.00 C ATOM 316 O ALA A 21 -4.573 6.031 -5.204 1.00 0.00 O ATOM 317 CB ALA A 21 -6.271 3.128 -5.147 1.00 0.00 C ATOM 0 H ALA A 21 -3.624 3.705 -5.653 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.204 4.084 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.285 3.462 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.305 2.129 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.688 3.104 -4.226 1.00 0.00 H new ATOM 323 N LEU A 22 -6.796 6.104 -5.505 1.00 0.00 N ATOM 324 CA LEU A 22 -6.928 7.451 -4.978 1.00 0.00 C ATOM 325 C LEU A 22 -8.050 7.514 -3.953 1.00 0.00 C ATOM 326 O LEU A 22 -9.196 7.176 -4.256 1.00 0.00 O ATOM 327 CB LEU A 22 -7.214 8.451 -6.107 1.00 0.00 C ATOM 328 CG LEU A 22 -6.117 8.592 -7.168 1.00 0.00 C ATOM 329 CD1 LEU A 22 -6.541 9.574 -8.247 1.00 0.00 C ATOM 330 CD2 LEU A 22 -4.812 9.043 -6.536 1.00 0.00 C ATOM 0 H LEU A 22 -7.673 5.682 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.986 7.716 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.138 8.154 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.391 9.430 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.962 7.615 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.749 9.661 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.452 9.217 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.726 10.550 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.047 9.136 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.957 10.008 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.493 8.309 -5.796 1.00 0.00 H new ATOM 342 N LEU A 23 -7.718 7.935 -2.743 1.00 0.00 N ATOM 343 CA LEU A 23 -8.728 8.204 -1.732 1.00 0.00 C ATOM 344 C LEU A 23 -9.152 9.653 -1.871 1.00 0.00 C ATOM 345 O LEU A 23 -8.519 10.549 -1.315 1.00 0.00 O ATOM 346 CB LEU A 23 -8.188 7.942 -0.324 1.00 0.00 C ATOM 347 CG LEU A 23 -9.199 8.144 0.809 1.00 0.00 C ATOM 348 CD1 LEU A 23 -10.313 7.112 0.724 1.00 0.00 C ATOM 349 CD2 LEU A 23 -8.508 8.071 2.161 1.00 0.00 C ATOM 0 H LEU A 23 -6.759 8.098 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.579 7.539 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.816 6.919 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.336 8.599 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.640 9.135 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.021 7.273 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.829 7.212 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.889 6.111 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.242 8.217 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.038 7.094 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.748 8.849 2.223 1.00 0.00 H new ATOM 361 N GLY A 24 -10.192 9.879 -2.658 1.00 0.00 N ATOM 362 CA GLY A 24 -10.548 11.229 -3.037 1.00 0.00 C ATOM 363 C GLY A 24 -9.575 11.755 -4.071 1.00 0.00 C ATOM 364 O GLY A 24 -9.771 11.569 -5.272 1.00 0.00 O ATOM 0 H GLY A 24 -10.796 9.152 -3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.561 11.247 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.541 11.875 -2.159 1.00 0.00 H new ATOM 368 N ASP A 25 -8.514 12.394 -3.606 1.00 0.00 N ATOM 369 CA ASP A 25 -7.429 12.805 -4.487 1.00 0.00 C ATOM 370 C ASP A 25 -6.091 12.321 -3.943 1.00 0.00 C ATOM 371 O ASP A 25 -5.069 12.390 -4.632 1.00 0.00 O ATOM 372 CB ASP A 25 -7.399 14.327 -4.657 1.00 0.00 C ATOM 373 CG ASP A 25 -6.785 15.052 -3.471 1.00 0.00 C ATOM 374 OD1 ASP A 25 -7.530 15.391 -2.526 1.00 0.00 O ATOM 375 OD2 ASP A 25 -5.561 15.306 -3.491 1.00 0.00 O ATOM 0 H ASP A 25 -8.379 12.640 -2.625 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.605 12.353 -5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.835 14.574 -5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.416 14.689 -4.809 1.00 0.00 H new ATOM 380 N GLU A 26 -6.100 11.818 -2.712 1.00 0.00 N ATOM 381 CA GLU A 26 -4.874 11.387 -2.057 1.00 0.00 C ATOM 382 C GLU A 26 -4.421 10.040 -2.604 1.00 0.00 C ATOM 383 O GLU A 26 -5.187 9.075 -2.630 1.00 0.00 O ATOM 384 CB GLU A 26 -5.067 11.314 -0.541 1.00 0.00 C ATOM 385 CG GLU A 26 -5.493 12.639 0.073 1.00 0.00 C ATOM 386 CD GLU A 26 -5.483 12.624 1.589 1.00 0.00 C ATOM 387 OE1 GLU A 26 -6.457 12.131 2.194 1.00 0.00 O ATOM 388 OE2 GLU A 26 -4.508 13.124 2.185 1.00 0.00 O ATOM 0 H GLU A 26 -6.943 11.700 -2.150 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.098 12.123 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.817 10.557 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.135 10.989 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.828 13.427 -0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.495 12.888 -0.275 1.00 0.00 H new ATOM 395 N GLN A 27 -3.178 9.994 -3.051 1.00 0.00 N ATOM 396 CA GLN A 27 -2.619 8.805 -3.667 1.00 0.00 C ATOM 397 C GLN A 27 -2.434 7.689 -2.646 1.00 0.00 C ATOM 398 O GLN A 27 -1.646 7.812 -1.704 1.00 0.00 O ATOM 399 CB GLN A 27 -1.283 9.125 -4.347 1.00 0.00 C ATOM 400 CG GLN A 27 -1.387 10.130 -5.488 1.00 0.00 C ATOM 401 CD GLN A 27 -1.264 11.578 -5.038 1.00 0.00 C ATOM 402 OE1 GLN A 27 -1.613 11.933 -3.912 1.00 0.00 O ATOM 403 NE2 GLN A 27 -0.774 12.425 -5.926 1.00 0.00 N ATOM 0 H GLN A 27 -2.529 10.779 -2.997 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.325 8.461 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.591 9.512 -3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.853 8.200 -4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.607 9.918 -6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.343 9.995 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.496 12.092 -6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.674 13.412 -5.688 1.00 0.00 H new ATOM 412 N VAL A 28 -3.156 6.599 -2.854 1.00 0.00 N ATOM 413 CA VAL A 28 -3.086 5.442 -1.977 1.00 0.00 C ATOM 414 C VAL A 28 -2.608 4.223 -2.756 1.00 0.00 C ATOM 415 O VAL A 28 -3.113 3.927 -3.839 1.00 0.00 O ATOM 416 CB VAL A 28 -4.456 5.132 -1.336 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.358 3.934 -0.404 1.00 0.00 C ATOM 418 CG2 VAL A 28 -4.987 6.345 -0.590 1.00 0.00 C ATOM 0 H VAL A 28 -3.805 6.492 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.379 5.675 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.155 4.887 -2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.335 3.734 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.028 3.061 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.640 4.147 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.953 6.105 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.286 6.624 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.104 7.177 -1.285 1.00 0.00 H new ATOM 428 N ALA A 29 -1.626 3.531 -2.210 1.00 0.00 N ATOM 429 CA ALA A 29 -1.090 2.344 -2.847 1.00 0.00 C ATOM 430 C ALA A 29 -1.685 1.096 -2.217 1.00 0.00 C ATOM 431 O ALA A 29 -1.422 0.796 -1.052 1.00 0.00 O ATOM 432 CB ALA A 29 0.426 2.326 -2.742 1.00 0.00 C ATOM 0 H ALA A 29 -1.182 3.772 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.360 2.361 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.814 1.429 -3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.835 3.208 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.718 2.328 -1.692 1.00 0.00 H new ATOM 438 N ILE A 30 -2.503 0.385 -2.980 1.00 0.00 N ATOM 439 CA ILE A 30 -3.121 -0.836 -2.492 1.00 0.00 C ATOM 440 C ILE A 30 -2.298 -2.041 -2.917 1.00 0.00 C ATOM 441 O ILE A 30 -2.239 -2.381 -4.099 1.00 0.00 O ATOM 442 CB ILE A 30 -4.565 -1.005 -3.013 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.412 0.218 -2.654 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.191 -2.274 -2.443 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.829 0.147 -3.184 1.00 0.00 C ATOM 0 H ILE A 30 -2.753 0.633 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.157 -0.765 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.532 -1.093 -4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.443 0.323 -1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.930 1.113 -3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.208 -2.379 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.601 -3.139 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.211 -2.213 -1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.372 1.046 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.808 0.073 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.329 -0.729 -2.770 1.00 0.00 H new ATOM 457 N PHE A 31 -1.651 -2.665 -1.957 1.00 0.00 N ATOM 458 CA PHE A 31 -0.830 -3.828 -2.228 1.00 0.00 C ATOM 459 C PHE A 31 -1.532 -5.096 -1.787 1.00 0.00 C ATOM 460 O PHE A 31 -1.949 -5.211 -0.632 1.00 0.00 O ATOM 461 CB PHE A 31 0.506 -3.729 -1.494 1.00 0.00 C ATOM 462 CG PHE A 31 1.354 -2.565 -1.909 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.129 -2.634 -3.053 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.385 -1.407 -1.151 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.919 -1.568 -3.434 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.173 -0.339 -1.525 1.00 0.00 C ATOM 467 CZ PHE A 31 2.940 -0.418 -2.668 1.00 0.00 C ATOM 0 H PHE A 31 -1.677 -2.386 -0.976 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.656 -3.862 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.314 -3.660 -0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.067 -4.649 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.116 -3.531 -3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.785 -1.339 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.520 -1.633 -4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.189 0.558 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.556 0.418 -2.964 1.00 0.00 H new ATOM 477 N ARG A 32 -1.668 -6.040 -2.697 1.00 0.00 N ATOM 478 CA ARG A 32 -2.104 -7.369 -2.324 1.00 0.00 C ATOM 479 C ARG A 32 -0.920 -8.309 -2.445 1.00 0.00 C ATOM 480 O ARG A 32 -0.578 -8.736 -3.539 1.00 0.00 O ATOM 481 CB ARG A 32 -3.243 -7.846 -3.229 1.00 0.00 C ATOM 482 CG ARG A 32 -3.784 -9.218 -2.860 1.00 0.00 C ATOM 483 CD ARG A 32 -4.771 -9.726 -3.898 1.00 0.00 C ATOM 484 NE ARG A 32 -5.391 -10.989 -3.495 1.00 0.00 N ATOM 485 CZ ARG A 32 -6.270 -11.660 -4.242 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.583 -11.232 -5.460 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.835 -12.764 -3.773 1.00 0.00 N ATOM 0 H ARG A 32 -1.484 -5.913 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.477 -7.354 -1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.056 -7.121 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.890 -7.870 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.958 -9.923 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.272 -9.168 -1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.546 -8.977 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.258 -9.862 -4.850 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.136 -11.380 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.151 -10.385 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.256 -11.750 -6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.598 -13.101 -2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.507 -13.276 -4.345 1.00 0.00 H new ATOM 501 N PRO A 33 -0.269 -8.626 -1.325 1.00 0.00 N ATOM 502 CA PRO A 33 0.900 -9.490 -1.318 1.00 0.00 C ATOM 503 C PRO A 33 0.548 -10.953 -1.080 1.00 0.00 C ATOM 504 O PRO A 33 1.287 -11.855 -1.472 1.00 0.00 O ATOM 505 CB PRO A 33 1.709 -8.928 -0.156 1.00 0.00 C ATOM 506 CG PRO A 33 0.703 -8.349 0.794 1.00 0.00 C ATOM 507 CD PRO A 33 -0.579 -8.127 0.022 1.00 0.00 C ATOM 0 HA PRO A 33 1.426 -9.493 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.298 -9.709 0.325 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.409 -8.166 -0.498 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.533 -9.026 1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.066 -7.410 1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.413 -8.670 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.858 -7.073 0.004 1.00 0.00 H new ATOM 515 N TYR A 34 -0.588 -11.186 -0.449 1.00 0.00 N ATOM 516 CA TYR A 34 -1.020 -12.536 -0.153 1.00 0.00 C ATOM 517 C TYR A 34 -2.041 -13.004 -1.173 1.00 0.00 C ATOM 518 O TYR A 34 -2.669 -12.198 -1.858 1.00 0.00 O ATOM 519 CB TYR A 34 -1.587 -12.631 1.264 1.00 0.00 C ATOM 520 CG TYR A 34 -0.522 -12.560 2.333 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.472 -13.526 2.398 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.500 -11.528 3.263 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.457 -13.472 3.361 1.00 0.00 C ATOM 524 CE2 TYR A 34 0.487 -11.465 4.230 1.00 0.00 C ATOM 525 CZ TYR A 34 1.463 -12.442 4.274 1.00 0.00 C ATOM 526 OH TYR A 34 2.457 -12.387 5.225 1.00 0.00 O ATOM 0 H TYR A 34 -1.227 -10.457 -0.132 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.151 -13.191 -0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.302 -11.823 1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.136 -13.567 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.474 -14.334 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.264 -10.765 3.230 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.221 -14.235 3.399 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.495 -10.657 4.946 1.00 0.00 H new ATOM 0 HH TYR A 34 2.322 -11.600 5.794 1.00 0.00 H new ATOM 536 N HIS A 35 -2.198 -14.311 -1.266 1.00 0.00 N ATOM 537 CA HIS A 35 -3.106 -14.908 -2.232 1.00 0.00 C ATOM 538 C HIS A 35 -4.491 -15.069 -1.614 1.00 0.00 C ATOM 539 O HIS A 35 -5.410 -15.601 -2.231 1.00 0.00 O ATOM 540 CB HIS A 35 -2.558 -16.257 -2.710 1.00 0.00 C ATOM 541 CG HIS A 35 -1.241 -16.154 -3.428 1.00 0.00 C ATOM 542 ND1 HIS A 35 -1.119 -16.261 -4.794 1.00 0.00 N ATOM 543 CD2 HIS A 35 0.015 -15.946 -2.960 1.00 0.00 C ATOM 544 CE1 HIS A 35 0.149 -16.123 -5.136 1.00 0.00 C ATOM 545 NE2 HIS A 35 0.859 -15.930 -4.042 1.00 0.00 N ATOM 0 H HIS A 35 -1.705 -14.985 -0.680 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.191 -14.251 -3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.443 -16.917 -1.851 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.288 -16.721 -3.373 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.299 -15.817 -1.926 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.539 -16.162 -6.142 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.869 -15.792 -4.006 1.00 0.00 H new ATOM 554 N SER A 36 -4.624 -14.587 -0.386 1.00 0.00 N ATOM 555 CA SER A 36 -5.887 -14.617 0.333 1.00 0.00 C ATOM 556 C SER A 36 -6.623 -13.288 0.151 1.00 0.00 C ATOM 557 O SER A 36 -6.178 -12.432 -0.622 1.00 0.00 O ATOM 558 CB SER A 36 -5.611 -14.874 1.813 1.00 0.00 C ATOM 559 OG SER A 36 -4.613 -15.873 1.969 1.00 0.00 O ATOM 0 H SER A 36 -3.858 -14.164 0.139 1.00 0.00 H new ATOM 0 HA SER A 36 -6.516 -15.415 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.288 -13.951 2.294 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.529 -15.188 2.311 1.00 0.00 H new ATOM 0 HG SER A 36 -4.447 -16.024 2.923 1.00 0.00 H new ATOM 565 N ASP A 37 -7.739 -13.112 0.852 1.00 0.00 N ATOM 566 CA ASP A 37 -8.503 -11.867 0.773 1.00 0.00 C ATOM 567 C ASP A 37 -7.960 -10.839 1.758 1.00 0.00 C ATOM 568 O ASP A 37 -8.605 -10.529 2.761 1.00 0.00 O ATOM 569 CB ASP A 37 -9.990 -12.098 1.069 1.00 0.00 C ATOM 570 CG ASP A 37 -10.676 -12.998 0.061 1.00 0.00 C ATOM 571 OD1 ASP A 37 -11.074 -12.506 -1.014 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.855 -14.199 0.356 1.00 0.00 O ATOM 0 H ASP A 37 -8.135 -13.812 1.480 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.399 -11.494 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.091 -12.536 2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.501 -11.136 1.092 1.00 0.00 H new ATOM 577 N GLN A 38 -6.768 -10.325 1.490 1.00 0.00 N ATOM 578 CA GLN A 38 -6.166 -9.317 2.355 1.00 0.00 C ATOM 579 C GLN A 38 -5.302 -8.360 1.542 1.00 0.00 C ATOM 580 O GLN A 38 -4.534 -8.786 0.675 1.00 0.00 O ATOM 581 CB GLN A 38 -5.333 -9.978 3.460 1.00 0.00 C ATOM 582 CG GLN A 38 -4.835 -9.000 4.515 1.00 0.00 C ATOM 583 CD GLN A 38 -5.962 -8.178 5.121 1.00 0.00 C ATOM 584 OE1 GLN A 38 -6.295 -7.100 4.630 1.00 0.00 O ATOM 585 NE2 GLN A 38 -6.555 -8.678 6.193 1.00 0.00 N ATOM 0 H GLN A 38 -6.200 -10.587 0.685 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.969 -8.748 2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.933 -10.748 3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.477 -10.479 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.325 -9.551 5.305 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.100 -8.330 4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.252 -9.575 6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.316 -8.166 6.640 1.00 0.00 H new ATOM 594 N VAL A 39 -5.435 -7.072 1.831 1.00 0.00 N ATOM 595 CA VAL A 39 -4.706 -6.033 1.120 1.00 0.00 C ATOM 596 C VAL A 39 -4.194 -4.982 2.097 1.00 0.00 C ATOM 597 O VAL A 39 -4.763 -4.792 3.175 1.00 0.00 O ATOM 598 CB VAL A 39 -5.583 -5.340 0.046 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.912 -6.296 -1.090 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.862 -4.791 0.664 1.00 0.00 C ATOM 0 H VAL A 39 -6.051 -6.720 2.564 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.868 -6.518 0.619 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.012 -4.507 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.528 -5.784 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.988 -6.635 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.456 -7.155 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.462 -4.309 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.431 -5.608 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.610 -4.063 1.435 1.00 0.00 H new ATOM 610 N PHE A 40 -3.116 -4.314 1.723 1.00 0.00 N ATOM 611 CA PHE A 40 -2.533 -3.269 2.548 1.00 0.00 C ATOM 612 C PHE A 40 -2.520 -1.954 1.784 1.00 0.00 C ATOM 613 O PHE A 40 -2.080 -1.902 0.638 1.00 0.00 O ATOM 614 CB PHE A 40 -1.109 -3.645 2.970 1.00 0.00 C ATOM 615 CG PHE A 40 -1.041 -4.884 3.820 1.00 0.00 C ATOM 616 CD1 PHE A 40 -0.916 -6.135 3.238 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.100 -4.796 5.201 1.00 0.00 C ATOM 618 CE1 PHE A 40 -0.851 -7.275 4.017 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.037 -5.932 5.984 1.00 0.00 C ATOM 620 CZ PHE A 40 -0.911 -7.172 5.392 1.00 0.00 C ATOM 0 H PHE A 40 -2.623 -4.479 0.845 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.140 -3.156 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.501 -3.793 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.670 -2.813 3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.869 -6.221 2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.196 -3.828 5.671 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.753 -8.244 3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.086 -5.850 7.060 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.859 -8.061 6.004 1.00 0.00 H new ATOM 630 N ALA A 41 -3.017 -0.902 2.414 1.00 0.00 N ATOM 631 CA ALA A 41 -3.100 0.399 1.767 1.00 0.00 C ATOM 632 C ALA A 41 -2.249 1.430 2.495 1.00 0.00 C ATOM 633 O ALA A 41 -2.466 1.705 3.676 1.00 0.00 O ATOM 634 CB ALA A 41 -4.546 0.861 1.696 1.00 0.00 C ATOM 0 H ALA A 41 -3.369 -0.922 3.371 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.712 0.298 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.593 1.835 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.130 0.141 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.953 0.939 2.704 1.00 0.00 H new ATOM 640 N ILE A 42 -1.280 1.988 1.789 1.00 0.00 N ATOM 641 CA ILE A 42 -0.410 3.013 2.348 1.00 0.00 C ATOM 642 C ILE A 42 -0.323 4.205 1.402 1.00 0.00 C ATOM 643 O ILE A 42 -0.972 4.220 0.355 1.00 0.00 O ATOM 644 CB ILE A 42 1.015 2.475 2.617 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.643 1.948 1.322 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.984 1.386 3.683 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.081 1.500 1.480 1.00 0.00 C ATOM 0 H ILE A 42 -1.074 1.747 0.820 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.846 3.322 3.298 1.00 0.00 H new ATOM 0 HB ILE A 42 1.630 3.296 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.049 1.111 0.955 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.596 2.728 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.996 1.020 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.580 1.795 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.354 0.563 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.457 1.140 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.689 2.340 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.133 0.697 2.215 1.00 0.00 H new ATOM 659 N SER A 43 0.460 5.206 1.777 1.00 0.00 N ATOM 660 CA SER A 43 0.693 6.355 0.913 1.00 0.00 C ATOM 661 C SER A 43 1.383 5.908 -0.375 1.00 0.00 C ATOM 662 O SER A 43 2.376 5.185 -0.334 1.00 0.00 O ATOM 663 CB SER A 43 1.549 7.391 1.646 1.00 0.00 C ATOM 664 OG SER A 43 0.999 7.692 2.922 1.00 0.00 O ATOM 0 H SER A 43 0.945 5.246 2.674 1.00 0.00 H new ATOM 0 HA SER A 43 -0.263 6.810 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.564 7.012 1.763 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.615 8.301 1.050 1.00 0.00 H new ATOM 0 HG SER A 43 1.466 8.464 3.306 1.00 0.00 H new ATOM 670 N ASN A 44 0.844 6.329 -1.513 1.00 0.00 N ATOM 671 CA ASN A 44 1.350 5.887 -2.813 1.00 0.00 C ATOM 672 C ASN A 44 2.546 6.729 -3.254 1.00 0.00 C ATOM 673 O ASN A 44 3.316 6.325 -4.117 1.00 0.00 O ATOM 674 CB ASN A 44 0.230 5.962 -3.851 1.00 0.00 C ATOM 675 CG ASN A 44 0.590 5.334 -5.183 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.389 4.399 -5.258 1.00 0.00 O ATOM 677 ND2 ASN A 44 -0.017 5.834 -6.245 1.00 0.00 N ATOM 0 H ASN A 44 0.057 6.976 -1.565 1.00 0.00 H new ATOM 0 HA ASN A 44 1.688 4.855 -2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.656 5.466 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.035 7.007 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.170 5.445 -7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.672 6.609 -6.140 1.00 0.00 H new ATOM 684 N ILE A 45 2.691 7.898 -2.651 1.00 0.00 N ATOM 685 CA ILE A 45 3.801 8.801 -2.947 1.00 0.00 C ATOM 686 C ILE A 45 4.663 8.960 -1.688 1.00 0.00 C ATOM 687 O ILE A 45 4.123 9.013 -0.581 1.00 0.00 O ATOM 688 CB ILE A 45 3.274 10.195 -3.373 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.354 10.080 -4.595 1.00 0.00 C ATOM 690 CG2 ILE A 45 4.425 11.152 -3.661 1.00 0.00 C ATOM 691 CD1 ILE A 45 3.030 9.533 -5.835 1.00 0.00 C ATOM 0 H ILE A 45 2.046 8.251 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 45 4.388 8.381 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 45 2.695 10.600 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.511 9.437 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.946 11.065 -4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.026 12.122 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.034 11.269 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.039 10.750 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.309 9.485 -6.651 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.855 10.187 -6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.413 8.533 -5.630 1.00 0.00 H new ATOM 703 N ASP A 46 5.987 9.010 -1.842 1.00 0.00 N ATOM 704 CA ASP A 46 6.870 9.273 -0.698 1.00 0.00 C ATOM 705 C ASP A 46 6.680 10.715 -0.235 1.00 0.00 C ATOM 706 O ASP A 46 6.866 11.649 -1.018 1.00 0.00 O ATOM 707 CB ASP A 46 8.344 9.025 -1.052 1.00 0.00 C ATOM 708 CG ASP A 46 9.279 9.182 0.145 1.00 0.00 C ATOM 709 OD1 ASP A 46 9.343 10.291 0.721 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.973 8.204 0.500 1.00 0.00 O ATOM 0 H ASP A 46 6.468 8.875 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 46 6.604 8.586 0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.450 8.020 -1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.646 9.720 -1.836 1.00 0.00 H new ATOM 715 N PRO A 47 6.313 10.908 1.043 1.00 0.00 N ATOM 716 CA PRO A 47 5.932 12.223 1.576 1.00 0.00 C ATOM 717 C PRO A 47 7.046 13.271 1.527 1.00 0.00 C ATOM 718 O PRO A 47 6.867 14.343 0.948 1.00 0.00 O ATOM 719 CB PRO A 47 5.540 11.928 3.029 1.00 0.00 C ATOM 720 CG PRO A 47 6.186 10.625 3.355 1.00 0.00 C ATOM 721 CD PRO A 47 6.231 9.853 2.068 1.00 0.00 C ATOM 0 HA PRO A 47 5.136 12.661 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.886 12.716 3.697 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.457 11.869 3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.189 10.776 3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.618 10.087 4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.092 9.186 2.029 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.343 9.234 1.939 1.00 0.00 H new ATOM 729 N PHE A 48 8.188 12.964 2.125 1.00 0.00 N ATOM 730 CA PHE A 48 9.243 13.958 2.291 1.00 0.00 C ATOM 731 C PHE A 48 10.222 13.945 1.124 1.00 0.00 C ATOM 732 O PHE A 48 10.694 14.996 0.684 1.00 0.00 O ATOM 733 CB PHE A 48 9.992 13.722 3.605 1.00 0.00 C ATOM 734 CG PHE A 48 11.081 14.726 3.870 1.00 0.00 C ATOM 735 CD1 PHE A 48 10.773 16.003 4.311 1.00 0.00 C ATOM 736 CD2 PHE A 48 12.413 14.393 3.673 1.00 0.00 C ATOM 737 CE1 PHE A 48 11.773 16.927 4.553 1.00 0.00 C ATOM 738 CE2 PHE A 48 13.414 15.313 3.912 1.00 0.00 C ATOM 739 CZ PHE A 48 13.095 16.582 4.353 1.00 0.00 C ATOM 0 H PHE A 48 8.409 12.042 2.501 1.00 0.00 H new ATOM 0 HA PHE A 48 8.768 14.939 2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.279 13.747 4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.427 12.723 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.741 16.280 4.467 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.670 13.402 3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.520 17.918 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.447 15.040 3.754 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.877 17.303 4.541 1.00 0.00 H new ATOM 749 N PHE A 49 10.520 12.763 0.613 1.00 0.00 N ATOM 750 CA PHE A 49 11.518 12.630 -0.441 1.00 0.00 C ATOM 751 C PHE A 49 10.919 13.009 -1.787 1.00 0.00 C ATOM 752 O PHE A 49 11.637 13.389 -2.711 1.00 0.00 O ATOM 753 CB PHE A 49 12.073 11.200 -0.484 1.00 0.00 C ATOM 754 CG PHE A 49 13.060 10.964 -1.593 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.376 11.379 -1.467 1.00 0.00 C ATOM 756 CD2 PHE A 49 12.668 10.339 -2.766 1.00 0.00 C ATOM 757 CE1 PHE A 49 15.282 11.173 -2.489 1.00 0.00 C ATOM 758 CE2 PHE A 49 13.570 10.133 -3.791 1.00 0.00 C ATOM 759 CZ PHE A 49 14.877 10.549 -3.652 1.00 0.00 C ATOM 0 H PHE A 49 10.090 11.886 0.906 1.00 0.00 H new ATOM 0 HA PHE A 49 12.342 13.310 -0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.552 10.978 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.243 10.502 -0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.697 11.869 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.646 10.009 -2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.306 11.500 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.252 9.646 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 49 15.584 10.387 -4.452 1.00 0.00 H new ATOM 769 N GLU A 50 9.598 12.917 -1.873 1.00 0.00 N ATOM 770 CA GLU A 50 8.877 13.204 -3.103 1.00 0.00 C ATOM 771 C GLU A 50 9.282 12.239 -4.203 1.00 0.00 C ATOM 772 O GLU A 50 10.005 12.588 -5.140 1.00 0.00 O ATOM 773 CB GLU A 50 9.076 14.659 -3.545 1.00 0.00 C ATOM 774 CG GLU A 50 8.296 15.655 -2.702 1.00 0.00 C ATOM 775 CD GLU A 50 6.800 15.572 -2.941 1.00 0.00 C ATOM 776 OE1 GLU A 50 6.254 14.450 -2.990 1.00 0.00 O ATOM 777 OE2 GLU A 50 6.160 16.630 -3.109 1.00 0.00 O ATOM 0 H GLU A 50 8.999 12.642 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 50 7.814 13.066 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.137 14.904 -3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.773 14.760 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.503 15.474 -1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.641 16.664 -2.926 1.00 0.00 H new ATOM 784 N SER A 51 8.837 11.007 -4.057 1.00 0.00 N ATOM 785 CA SER A 51 9.042 9.999 -5.071 1.00 0.00 C ATOM 786 C SER A 51 7.741 9.825 -5.840 1.00 0.00 C ATOM 787 O SER A 51 6.838 10.659 -5.737 1.00 0.00 O ATOM 788 CB SER A 51 9.491 8.675 -4.436 1.00 0.00 C ATOM 789 OG SER A 51 9.956 7.760 -5.418 1.00 0.00 O ATOM 0 H SER A 51 8.327 10.680 -3.237 1.00 0.00 H new ATOM 0 HA SER A 51 9.832 10.311 -5.754 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.283 8.867 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.659 8.232 -3.889 1.00 0.00 H new ATOM 0 HG SER A 51 10.223 8.251 -6.223 1.00 0.00 H new ATOM 795 N SER A 52 7.641 8.762 -6.606 1.00 0.00 N ATOM 796 CA SER A 52 6.448 8.511 -7.385 1.00 0.00 C ATOM 797 C SER A 52 5.648 7.378 -6.758 1.00 0.00 C ATOM 798 O SER A 52 5.758 7.125 -5.558 1.00 0.00 O ATOM 799 CB SER A 52 6.836 8.184 -8.833 1.00 0.00 C ATOM 800 OG SER A 52 5.710 8.193 -9.697 1.00 0.00 O ATOM 0 H SER A 52 8.371 8.057 -6.707 1.00 0.00 H new ATOM 0 HA SER A 52 5.821 9.402 -7.393 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.570 8.909 -9.185 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.313 7.205 -8.869 1.00 0.00 H new ATOM 0 HG SER A 52 5.997 7.982 -10.610 1.00 0.00 H new ATOM 806 N VAL A 53 4.860 6.702 -7.575 1.00 0.00 N ATOM 807 CA VAL A 53 3.960 5.674 -7.093 1.00 0.00 C ATOM 808 C VAL A 53 4.735 4.462 -6.583 1.00 0.00 C ATOM 809 O VAL A 53 5.560 3.874 -7.285 1.00 0.00 O ATOM 810 CB VAL A 53 2.959 5.243 -8.194 1.00 0.00 C ATOM 811 CG1 VAL A 53 2.079 6.415 -8.595 1.00 0.00 C ATOM 812 CG2 VAL A 53 3.679 4.693 -9.418 1.00 0.00 C ATOM 0 H VAL A 53 4.827 6.850 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 53 3.395 6.098 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 53 2.336 4.449 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.381 6.097 -9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.522 6.766 -7.726 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.702 7.223 -8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.946 4.400 -10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.335 5.460 -9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.272 3.824 -9.132 1.00 0.00 H new ATOM 822 N LEU A 54 4.460 4.110 -5.339 1.00 0.00 N ATOM 823 CA LEU A 54 5.124 2.998 -4.682 1.00 0.00 C ATOM 824 C LEU A 54 4.431 1.692 -5.032 1.00 0.00 C ATOM 825 O LEU A 54 4.986 0.610 -4.847 1.00 0.00 O ATOM 826 CB LEU A 54 5.113 3.215 -3.168 1.00 0.00 C ATOM 827 CG LEU A 54 5.687 4.557 -2.705 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.492 4.733 -1.209 1.00 0.00 C ATOM 829 CD2 LEU A 54 7.160 4.665 -3.069 1.00 0.00 C ATOM 0 H LEU A 54 3.771 4.586 -4.757 1.00 0.00 H new ATOM 0 HA LEU A 54 6.157 2.944 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.086 3.133 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.679 2.412 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 54 5.149 5.354 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.906 5.692 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.428 4.704 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.002 3.929 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.549 5.626 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.714 3.860 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.274 4.587 -4.150 1.00 0.00 H new ATOM 841 N SER A 55 3.215 1.809 -5.554 1.00 0.00 N ATOM 842 CA SER A 55 2.427 0.656 -5.967 1.00 0.00 C ATOM 843 C SER A 55 3.049 -0.026 -7.185 1.00 0.00 C ATOM 844 O SER A 55 2.699 -1.152 -7.532 1.00 0.00 O ATOM 845 CB SER A 55 0.994 1.095 -6.268 1.00 0.00 C ATOM 846 OG SER A 55 0.980 2.308 -7.007 1.00 0.00 O ATOM 0 H SER A 55 2.749 2.704 -5.702 1.00 0.00 H new ATOM 0 HA SER A 55 2.415 -0.069 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.481 0.315 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.446 1.227 -5.335 1.00 0.00 H new ATOM 0 HG SER A 55 1.027 3.068 -6.390 1.00 0.00 H new ATOM 852 N ARG A 56 3.985 0.668 -7.816 1.00 0.00 N ATOM 853 CA ARG A 56 4.682 0.148 -8.979 1.00 0.00 C ATOM 854 C ARG A 56 6.035 -0.424 -8.555 1.00 0.00 C ATOM 855 O ARG A 56 7.044 -0.249 -9.237 1.00 0.00 O ATOM 856 CB ARG A 56 4.869 1.267 -10.008 1.00 0.00 C ATOM 857 CG ARG A 56 5.240 0.779 -11.402 1.00 0.00 C ATOM 858 CD ARG A 56 5.529 1.943 -12.332 1.00 0.00 C ATOM 859 NE ARG A 56 5.821 1.499 -13.693 1.00 0.00 N ATOM 860 CZ ARG A 56 7.016 1.619 -14.273 1.00 0.00 C ATOM 861 NH1 ARG A 56 8.043 2.118 -13.592 1.00 0.00 N ATOM 862 NH2 ARG A 56 7.183 1.227 -15.529 1.00 0.00 N ATOM 0 H ARG A 56 4.280 1.603 -7.536 1.00 0.00 H new ATOM 0 HA ARG A 56 4.094 -0.650 -9.433 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.947 1.845 -10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.646 1.945 -9.654 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.115 0.132 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.426 0.179 -11.809 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.672 2.616 -12.347 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.375 2.512 -11.947 1.00 0.00 H new ATOM 0 HE ARG A 56 5.067 1.072 -14.231 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.918 2.410 -12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.956 2.208 -14.039 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.398 0.835 -16.049 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.096 1.318 -15.975 1.00 0.00 H new ATOM 876 N GLY A 57 6.043 -1.117 -7.421 1.00 0.00 N ATOM 877 CA GLY A 57 7.281 -1.648 -6.884 1.00 0.00 C ATOM 878 C GLY A 57 7.134 -3.085 -6.426 1.00 0.00 C ATOM 879 O GLY A 57 6.018 -3.583 -6.269 1.00 0.00 O ATOM 0 H GLY A 57 5.213 -1.320 -6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.060 -1.588 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.605 -1.032 -6.045 1.00 0.00 H new ATOM 883 N LEU A 58 8.262 -3.749 -6.216 1.00 0.00 N ATOM 884 CA LEU A 58 8.261 -5.163 -5.865 1.00 0.00 C ATOM 885 C LEU A 58 8.125 -5.353 -4.358 1.00 0.00 C ATOM 886 O LEU A 58 8.752 -4.642 -3.570 1.00 0.00 O ATOM 887 CB LEU A 58 9.536 -5.864 -6.371 1.00 0.00 C ATOM 888 CG LEU A 58 10.866 -5.368 -5.780 1.00 0.00 C ATOM 889 CD1 LEU A 58 11.947 -6.423 -5.955 1.00 0.00 C ATOM 890 CD2 LEU A 58 11.307 -4.066 -6.437 1.00 0.00 C ATOM 0 H LEU A 58 9.190 -3.331 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 58 7.399 -5.619 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.446 -6.930 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.580 -5.753 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 58 10.711 -5.183 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.883 -6.058 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.649 -7.338 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.085 -6.630 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.250 -3.739 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.439 -4.225 -7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.547 -3.301 -6.275 1.00 0.00 H new ATOM 902 N ILE A 59 7.295 -6.309 -3.966 1.00 0.00 N ATOM 903 CA ILE A 59 7.101 -6.629 -2.559 1.00 0.00 C ATOM 904 C ILE A 59 7.960 -7.827 -2.177 1.00 0.00 C ATOM 905 O ILE A 59 7.806 -8.915 -2.733 1.00 0.00 O ATOM 906 CB ILE A 59 5.622 -6.949 -2.247 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.716 -5.803 -2.711 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.439 -7.205 -0.754 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.236 -6.102 -2.571 1.00 0.00 C ATOM 0 H ILE A 59 6.742 -6.879 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 59 7.395 -5.754 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 59 5.340 -7.851 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.953 -4.908 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.935 -5.578 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.392 -7.429 -0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.057 -8.050 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.737 -6.319 -0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.657 -5.246 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.984 -6.978 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.002 -6.297 -1.525 1.00 0.00 H new ATOM 921 N ALA A 60 8.863 -7.626 -1.234 1.00 0.00 N ATOM 922 CA ALA A 60 9.775 -8.676 -0.814 1.00 0.00 C ATOM 923 C ALA A 60 9.440 -9.148 0.592 1.00 0.00 C ATOM 924 O ALA A 60 9.076 -8.349 1.459 1.00 0.00 O ATOM 925 CB ALA A 60 11.211 -8.177 -0.882 1.00 0.00 C ATOM 0 H ALA A 60 8.985 -6.741 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 60 9.666 -9.524 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.887 -8.971 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.447 -7.886 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.329 -7.316 -0.224 1.00 0.00 H new ATOM 931 N GLU A 61 9.548 -10.448 0.814 1.00 0.00 N ATOM 932 CA GLU A 61 9.306 -11.011 2.131 1.00 0.00 C ATOM 933 C GLU A 61 10.589 -10.987 2.948 1.00 0.00 C ATOM 934 O GLU A 61 11.581 -11.615 2.580 1.00 0.00 O ATOM 935 CB GLU A 61 8.782 -12.445 2.034 1.00 0.00 C ATOM 936 CG GLU A 61 8.484 -13.060 3.393 1.00 0.00 C ATOM 937 CD GLU A 61 8.048 -14.506 3.306 1.00 0.00 C ATOM 938 OE1 GLU A 61 8.924 -15.384 3.198 1.00 0.00 O ATOM 939 OE2 GLU A 61 6.830 -14.771 3.375 1.00 0.00 O ATOM 0 H GLU A 61 9.801 -11.131 0.100 1.00 0.00 H new ATOM 0 HA GLU A 61 8.547 -10.404 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.875 -12.455 1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.517 -13.061 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.374 -12.992 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.703 -12.480 3.885 1.00 0.00 H new ATOM 946 N HIS A 62 10.566 -10.265 4.053 1.00 0.00 N ATOM 947 CA HIS A 62 11.725 -10.167 4.926 1.00 0.00 C ATOM 948 C HIS A 62 11.605 -11.209 6.037 1.00 0.00 C ATOM 949 O HIS A 62 12.000 -10.973 7.179 1.00 0.00 O ATOM 950 CB HIS A 62 11.813 -8.751 5.507 1.00 0.00 C ATOM 951 CG HIS A 62 13.143 -8.409 6.102 1.00 0.00 C ATOM 952 ND1 HIS A 62 13.367 -8.342 7.457 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.321 -8.096 5.514 1.00 0.00 C ATOM 954 CE1 HIS A 62 14.622 -8.004 7.679 1.00 0.00 C ATOM 955 NE2 HIS A 62 15.224 -7.849 6.515 1.00 0.00 N ATOM 0 H HIS A 62 9.754 -9.735 4.370 1.00 0.00 H new ATOM 0 HA HIS A 62 12.637 -10.361 4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.586 -8.033 4.719 1.00 0.00 H new ATOM 0 HB3 HIS A 62 11.046 -8.637 6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.514 -8.049 4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 62 15.080 -7.876 8.649 1.00 0.00 H new ATOM 0 HE2 HIS A 62 16.201 -7.588 6.382 1.00 0.00 H new ATOM 964 N GLN A 63 11.058 -12.366 5.662 1.00 0.00 N ATOM 965 CA GLN A 63 10.810 -13.473 6.580 1.00 0.00 C ATOM 966 C GLN A 63 9.778 -13.078 7.634 1.00 0.00 C ATOM 967 O GLN A 63 10.121 -12.657 8.741 1.00 0.00 O ATOM 968 CB GLN A 63 12.108 -13.941 7.245 1.00 0.00 C ATOM 969 CG GLN A 63 12.005 -15.309 7.899 1.00 0.00 C ATOM 970 CD GLN A 63 11.720 -16.411 6.896 1.00 0.00 C ATOM 971 OE1 GLN A 63 12.640 -16.984 6.311 1.00 0.00 O ATOM 972 NE2 GLN A 63 10.449 -16.730 6.704 1.00 0.00 N ATOM 0 H GLN A 63 10.773 -12.561 4.702 1.00 0.00 H new ATOM 0 HA GLN A 63 10.410 -14.305 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.900 -13.965 6.497 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.403 -13.210 7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.936 -15.529 8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.214 -15.291 8.649 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.716 -16.231 7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.203 -17.475 6.052 1.00 0.00 H new ATOM 981 N GLY A 64 8.512 -13.193 7.267 1.00 0.00 N ATOM 982 CA GLY A 64 7.440 -12.829 8.170 1.00 0.00 C ATOM 983 C GLY A 64 6.783 -11.527 7.765 1.00 0.00 C ATOM 984 O GLY A 64 5.615 -11.507 7.375 1.00 0.00 O ATOM 0 H GLY A 64 8.206 -13.534 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.694 -13.623 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.833 -12.739 9.183 1.00 0.00 H new ATOM 988 N GLU A 65 7.538 -10.442 7.844 1.00 0.00 N ATOM 989 CA GLU A 65 7.029 -9.133 7.467 1.00 0.00 C ATOM 990 C GLU A 65 7.308 -8.856 5.997 1.00 0.00 C ATOM 991 O GLU A 65 8.336 -9.277 5.456 1.00 0.00 O ATOM 992 CB GLU A 65 7.650 -8.037 8.333 1.00 0.00 C ATOM 993 CG GLU A 65 7.309 -8.159 9.810 1.00 0.00 C ATOM 994 CD GLU A 65 5.816 -8.150 10.068 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.192 -7.081 9.922 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.264 -9.209 10.438 1.00 0.00 O ATOM 0 H GLU A 65 8.506 -10.442 8.166 1.00 0.00 H new ATOM 0 HA GLU A 65 5.951 -9.132 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.733 -8.064 8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.314 -7.066 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.736 -9.082 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.773 -7.337 10.355 1.00 0.00 H new ATOM 1003 N LEU A 66 6.394 -8.150 5.357 1.00 0.00 N ATOM 1004 CA LEU A 66 6.506 -7.868 3.937 1.00 0.00 C ATOM 1005 C LEU A 66 6.883 -6.412 3.707 1.00 0.00 C ATOM 1006 O LEU A 66 6.213 -5.498 4.199 1.00 0.00 O ATOM 1007 CB LEU A 66 5.186 -8.192 3.238 1.00 0.00 C ATOM 1008 CG LEU A 66 4.698 -9.630 3.424 1.00 0.00 C ATOM 1009 CD1 LEU A 66 3.347 -9.823 2.769 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.708 -10.617 2.858 1.00 0.00 C ATOM 0 H LEU A 66 5.562 -7.760 5.800 1.00 0.00 H new ATOM 0 HA LEU A 66 7.294 -8.494 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.419 -7.512 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.298 -7.996 2.172 1.00 0.00 H new ATOM 0 HG LEU A 66 4.594 -9.819 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.017 -10.852 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.624 -9.144 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.426 -9.612 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.342 -11.634 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.846 -10.427 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.661 -10.499 3.374 1.00 0.00 H new ATOM 1022 N TRP A 67 7.960 -6.205 2.969 1.00 0.00 N ATOM 1023 CA TRP A 67 8.455 -4.868 2.686 1.00 0.00 C ATOM 1024 C TRP A 67 8.384 -4.594 1.191 1.00 0.00 C ATOM 1025 O TRP A 67 8.817 -5.412 0.381 1.00 0.00 O ATOM 1026 CB TRP A 67 9.902 -4.711 3.170 1.00 0.00 C ATOM 1027 CG TRP A 67 10.071 -4.840 4.657 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.984 -5.983 5.398 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.382 -3.788 5.580 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.214 -5.708 6.723 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.459 -4.366 6.862 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.596 -2.413 5.447 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.748 -3.617 8.000 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.882 -1.672 6.579 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.954 -2.275 7.840 1.00 0.00 C ATOM 0 H TRP A 67 8.513 -6.953 2.551 1.00 0.00 H new ATOM 0 HA TRP A 67 7.829 -4.151 3.217 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.521 -5.462 2.679 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.274 -3.736 2.856 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.766 -6.963 4.999 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.204 -6.391 7.481 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.539 -1.938 4.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.807 -4.080 8.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 11.053 -0.609 6.488 1.00 0.00 H new ATOM 0 HH2 TRP A 67 11.177 -1.667 8.705 1.00 0.00 H new ATOM 1046 N VAL A 68 7.838 -3.447 0.824 1.00 0.00 N ATOM 1047 CA VAL A 68 7.754 -3.074 -0.578 1.00 0.00 C ATOM 1048 C VAL A 68 8.922 -2.164 -0.944 1.00 0.00 C ATOM 1049 O VAL A 68 9.259 -1.237 -0.202 1.00 0.00 O ATOM 1050 CB VAL A 68 6.406 -2.388 -0.916 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.205 -1.120 -0.099 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.312 -2.090 -2.407 1.00 0.00 C ATOM 0 H VAL A 68 7.449 -2.762 1.472 1.00 0.00 H new ATOM 0 HA VAL A 68 7.808 -3.988 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 68 5.607 -3.081 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.250 -0.665 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.209 -1.367 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.012 -0.418 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.358 -1.609 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.127 -1.427 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.384 -3.021 -2.969 1.00 0.00 H new ATOM 1062 N ALA A 69 9.563 -2.464 -2.064 1.00 0.00 N ATOM 1063 CA ALA A 69 10.714 -1.702 -2.510 1.00 0.00 C ATOM 1064 C ALA A 69 10.413 -0.992 -3.822 1.00 0.00 C ATOM 1065 O ALA A 69 9.910 -1.599 -4.768 1.00 0.00 O ATOM 1066 CB ALA A 69 11.924 -2.613 -2.662 1.00 0.00 C ATOM 0 H ALA A 69 9.302 -3.233 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 69 10.940 -0.946 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.780 -2.028 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.154 -3.076 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.705 -3.389 -3.396 1.00 0.00 H new ATOM 1072 N SER A 70 10.718 0.293 -3.869 1.00 0.00 N ATOM 1073 CA SER A 70 10.496 1.084 -5.067 1.00 0.00 C ATOM 1074 C SER A 70 11.650 0.889 -6.046 1.00 0.00 C ATOM 1075 O SER A 70 12.812 0.835 -5.642 1.00 0.00 O ATOM 1076 CB SER A 70 10.347 2.565 -4.702 1.00 0.00 C ATOM 1077 OG SER A 70 10.046 3.357 -5.843 1.00 0.00 O ATOM 0 H SER A 70 11.121 0.812 -3.089 1.00 0.00 H new ATOM 0 HA SER A 70 9.575 0.750 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.557 2.680 -3.960 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.269 2.922 -4.244 1.00 0.00 H new ATOM 0 HG SER A 70 9.956 4.295 -5.575 1.00 0.00 H new ATOM 1083 N PRO A 71 11.343 0.733 -7.342 1.00 0.00 N ATOM 1084 CA PRO A 71 12.356 0.629 -8.392 1.00 0.00 C ATOM 1085 C PRO A 71 12.968 1.985 -8.735 1.00 0.00 C ATOM 1086 O PRO A 71 14.050 2.059 -9.318 1.00 0.00 O ATOM 1087 CB PRO A 71 11.583 0.073 -9.600 1.00 0.00 C ATOM 1088 CG PRO A 71 10.219 -0.268 -9.091 1.00 0.00 C ATOM 1089 CD PRO A 71 9.992 0.603 -7.891 1.00 0.00 C ATOM 0 HA PRO A 71 13.192 0.000 -8.085 1.00 0.00 H new ATOM 0 HB2 PRO A 71 11.528 0.810 -10.401 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.079 -0.807 -10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.462 -0.086 -9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.155 -1.323 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.569 1.570 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.306 0.144 -7.179 1.00 0.00 H new ATOM 1097 N LEU A 72 12.270 3.056 -8.371 1.00 0.00 N ATOM 1098 CA LEU A 72 12.744 4.406 -8.649 1.00 0.00 C ATOM 1099 C LEU A 72 13.813 4.791 -7.636 1.00 0.00 C ATOM 1100 O LEU A 72 14.978 4.980 -7.982 1.00 0.00 O ATOM 1101 CB LEU A 72 11.592 5.422 -8.607 1.00 0.00 C ATOM 1102 CG LEU A 72 10.470 5.206 -9.631 1.00 0.00 C ATOM 1103 CD1 LEU A 72 9.494 4.138 -9.159 1.00 0.00 C ATOM 1104 CD2 LEU A 72 9.742 6.512 -9.898 1.00 0.00 C ATOM 0 H LEU A 72 11.375 3.015 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 72 13.168 4.420 -9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.155 5.405 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.007 6.419 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 72 10.921 4.859 -10.561 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.710 4.007 -9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.025 3.196 -9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.047 4.446 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.949 6.344 -10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.309 6.884 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.445 7.247 -10.290 1.00 0.00 H new ATOM 1116 N LYS A 73 13.404 4.886 -6.383 1.00 0.00 N ATOM 1117 CA LYS A 73 14.322 5.127 -5.286 1.00 0.00 C ATOM 1118 C LYS A 73 14.330 3.893 -4.399 1.00 0.00 C ATOM 1119 O LYS A 73 13.296 3.251 -4.238 1.00 0.00 O ATOM 1120 CB LYS A 73 13.890 6.364 -4.488 1.00 0.00 C ATOM 1121 CG LYS A 73 14.884 6.800 -3.423 1.00 0.00 C ATOM 1122 CD LYS A 73 16.211 7.213 -4.038 1.00 0.00 C ATOM 1123 CE LYS A 73 17.161 7.783 -2.998 1.00 0.00 C ATOM 1124 NZ LYS A 73 18.452 8.204 -3.603 1.00 0.00 N ATOM 0 H LYS A 73 12.428 4.798 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 73 15.325 5.316 -5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.731 7.191 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.932 6.158 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.469 7.633 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.046 5.984 -2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.673 6.351 -4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.036 7.956 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.694 8.637 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.347 7.035 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.074 8.587 -2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.910 7.384 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.277 8.936 -4.321 1.00 0.00 H new ATOM 1138 N LYS A 74 15.480 3.555 -3.831 1.00 0.00 N ATOM 1139 CA LYS A 74 15.613 2.325 -3.057 1.00 0.00 C ATOM 1140 C LYS A 74 14.965 2.472 -1.678 1.00 0.00 C ATOM 1141 O LYS A 74 15.617 2.369 -0.638 1.00 0.00 O ATOM 1142 CB LYS A 74 17.088 1.932 -2.942 1.00 0.00 C ATOM 1143 CG LYS A 74 17.306 0.475 -2.568 1.00 0.00 C ATOM 1144 CD LYS A 74 18.702 0.016 -2.954 1.00 0.00 C ATOM 1145 CE LYS A 74 18.881 -1.479 -2.753 1.00 0.00 C ATOM 1146 NZ LYS A 74 20.122 -1.968 -3.403 1.00 0.00 N ATOM 0 H LYS A 74 16.332 4.112 -3.890 1.00 0.00 H new ATOM 0 HA LYS A 74 15.087 1.526 -3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.583 2.132 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.566 2.565 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.160 0.346 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.564 -0.147 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.892 0.268 -3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.439 0.554 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.914 -1.703 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 74 18.021 -2.008 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.215 -2.992 -3.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.078 -1.775 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.944 -1.480 -2.994 1.00 0.00 H new ATOM 1160 N GLN A 75 13.667 2.722 -1.699 1.00 0.00 N ATOM 1161 CA GLN A 75 12.862 2.862 -0.498 1.00 0.00 C ATOM 1162 C GLN A 75 12.257 1.520 -0.116 1.00 0.00 C ATOM 1163 O GLN A 75 11.931 0.712 -0.988 1.00 0.00 O ATOM 1164 CB GLN A 75 11.743 3.874 -0.745 1.00 0.00 C ATOM 1165 CG GLN A 75 11.932 5.212 -0.045 1.00 0.00 C ATOM 1166 CD GLN A 75 11.722 5.130 1.456 1.00 0.00 C ATOM 1167 OE1 GLN A 75 12.027 4.116 2.092 1.00 0.00 O ATOM 1168 NE2 GLN A 75 11.151 6.180 2.025 1.00 0.00 N ATOM 0 H GLN A 75 13.136 2.835 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 75 13.497 3.212 0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.660 4.049 -1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 75 10.799 3.438 -0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.937 5.582 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 75 11.235 5.937 -0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.915 6.998 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.947 6.171 3.024 1.00 0.00 H new ATOM 1177 N ARG A 76 12.121 1.281 1.183 1.00 0.00 N ATOM 1178 CA ARG A 76 11.511 0.051 1.676 1.00 0.00 C ATOM 1179 C ARG A 76 10.481 0.376 2.748 1.00 0.00 C ATOM 1180 O ARG A 76 10.803 1.002 3.762 1.00 0.00 O ATOM 1181 CB ARG A 76 12.558 -0.923 2.237 1.00 0.00 C ATOM 1182 CG ARG A 76 13.579 -1.404 1.214 1.00 0.00 C ATOM 1183 CD ARG A 76 14.758 -0.450 1.103 1.00 0.00 C ATOM 1184 NE ARG A 76 15.534 -0.409 2.342 1.00 0.00 N ATOM 1185 CZ ARG A 76 16.509 0.463 2.592 1.00 0.00 C ATOM 1186 NH1 ARG A 76 16.805 1.418 1.715 1.00 0.00 N ATOM 1187 NH2 ARG A 76 17.178 0.383 3.732 1.00 0.00 N ATOM 0 H ARG A 76 12.425 1.923 1.915 1.00 0.00 H new ATOM 0 HA ARG A 76 11.023 -0.437 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.085 -0.438 3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.044 -1.789 2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.938 -2.394 1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.099 -1.504 0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.402 -0.760 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.396 0.551 0.866 1.00 0.00 H new ATOM 0 HE ARG A 76 15.313 -1.095 3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.283 1.488 0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 76 17.554 2.081 1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.945 -0.342 4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.926 1.047 3.932 1.00 0.00 H new ATOM 1201 N PHE A 77 9.246 -0.042 2.511 1.00 0.00 N ATOM 1202 CA PHE A 77 8.148 0.236 3.426 1.00 0.00 C ATOM 1203 C PHE A 77 7.556 -1.063 3.953 1.00 0.00 C ATOM 1204 O PHE A 77 7.325 -1.999 3.186 1.00 0.00 O ATOM 1205 CB PHE A 77 7.044 1.031 2.718 1.00 0.00 C ATOM 1206 CG PHE A 77 7.531 2.246 1.981 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.001 2.139 0.681 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.512 3.491 2.581 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.444 3.252 -0.002 1.00 0.00 C ATOM 1210 CE2 PHE A 77 7.954 4.609 1.901 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.421 4.489 0.608 1.00 0.00 C ATOM 0 H PHE A 77 8.978 -0.579 1.686 1.00 0.00 H new ATOM 0 HA PHE A 77 8.544 0.823 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.534 0.374 2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.305 1.341 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.020 1.173 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.148 3.591 3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 77 8.809 3.155 -1.014 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.934 5.576 2.381 1.00 0.00 H new ATOM 0 HZ PHE A 77 8.768 5.362 0.075 1.00 0.00 H new ATOM 1221 N ARG A 78 7.314 -1.123 5.254 1.00 0.00 N ATOM 1222 CA ARG A 78 6.660 -2.278 5.846 1.00 0.00 C ATOM 1223 C ARG A 78 5.153 -2.123 5.723 1.00 0.00 C ATOM 1224 O ARG A 78 4.563 -1.236 6.334 1.00 0.00 O ATOM 1225 CB ARG A 78 7.060 -2.441 7.315 1.00 0.00 C ATOM 1226 CG ARG A 78 6.426 -3.651 7.984 1.00 0.00 C ATOM 1227 CD ARG A 78 6.977 -3.872 9.385 1.00 0.00 C ATOM 1228 NE ARG A 78 6.739 -2.729 10.268 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.315 -2.584 11.461 1.00 0.00 C ATOM 1230 NH1 ARG A 78 8.165 -3.503 11.905 1.00 0.00 N ATOM 1231 NH2 ARG A 78 7.039 -1.524 12.210 1.00 0.00 N ATOM 0 H ARG A 78 7.560 -0.388 5.917 1.00 0.00 H new ATOM 0 HA ARG A 78 6.978 -3.174 5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.145 -2.526 7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.776 -1.542 7.863 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.346 -3.514 8.035 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.607 -4.539 7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.518 -4.762 9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.048 -4.063 9.325 1.00 0.00 H new ATOM 0 HE ARG A 78 6.096 -2.003 9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.377 -4.320 11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.606 -3.391 12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.385 -0.818 11.873 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.481 -1.415 13.123 1.00 0.00 H new ATOM 1245 N LEU A 79 4.537 -2.995 4.935 1.00 0.00 N ATOM 1246 CA LEU A 79 3.113 -2.888 4.618 1.00 0.00 C ATOM 1247 C LEU A 79 2.237 -3.017 5.863 1.00 0.00 C ATOM 1248 O LEU A 79 1.117 -2.506 5.898 1.00 0.00 O ATOM 1249 CB LEU A 79 2.722 -3.959 3.600 1.00 0.00 C ATOM 1250 CG LEU A 79 3.445 -3.872 2.256 1.00 0.00 C ATOM 1251 CD1 LEU A 79 3.007 -5.001 1.340 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.186 -2.524 1.603 1.00 0.00 C ATOM 0 H LEU A 79 5.003 -3.791 4.499 1.00 0.00 H new ATOM 0 HA LEU A 79 2.946 -1.897 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.914 -4.939 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.649 -3.894 3.422 1.00 0.00 H new ATOM 0 HG LEU A 79 4.516 -3.971 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.532 -4.922 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.241 -5.959 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.933 -4.934 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.707 -2.477 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.116 -2.399 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.549 -1.729 2.254 1.00 0.00 H new ATOM 1264 N SER A 80 2.762 -3.694 6.876 1.00 0.00 N ATOM 1265 CA SER A 80 2.025 -3.962 8.103 1.00 0.00 C ATOM 1266 C SER A 80 1.545 -2.674 8.780 1.00 0.00 C ATOM 1267 O SER A 80 0.373 -2.554 9.142 1.00 0.00 O ATOM 1268 CB SER A 80 2.919 -4.752 9.056 1.00 0.00 C ATOM 1269 OG SER A 80 3.559 -5.813 8.367 1.00 0.00 O ATOM 0 H SER A 80 3.709 -4.072 6.870 1.00 0.00 H new ATOM 0 HA SER A 80 1.137 -4.541 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.667 -4.092 9.495 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.324 -5.150 9.878 1.00 0.00 H new ATOM 0 HG SER A 80 3.897 -6.466 9.014 1.00 0.00 H new ATOM 1275 N ASP A 81 2.442 -1.710 8.938 1.00 0.00 N ATOM 1276 CA ASP A 81 2.116 -0.484 9.663 1.00 0.00 C ATOM 1277 C ASP A 81 2.400 0.763 8.829 1.00 0.00 C ATOM 1278 O ASP A 81 1.864 1.838 9.105 1.00 0.00 O ATOM 1279 CB ASP A 81 2.895 -0.421 10.983 1.00 0.00 C ATOM 1280 CG ASP A 81 4.399 -0.312 10.792 1.00 0.00 C ATOM 1281 OD1 ASP A 81 4.923 -0.812 9.771 1.00 0.00 O ATOM 1282 OD2 ASP A 81 5.069 0.266 11.676 1.00 0.00 O ATOM 0 H ASP A 81 3.395 -1.750 8.578 1.00 0.00 H new ATOM 0 HA ASP A 81 1.047 -0.506 9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.547 0.435 11.561 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.674 -1.313 11.569 1.00 0.00 H new ATOM 1287 N GLY A 82 3.231 0.621 7.807 1.00 0.00 N ATOM 1288 CA GLY A 82 3.570 1.750 6.965 1.00 0.00 C ATOM 1289 C GLY A 82 4.889 2.383 7.359 1.00 0.00 C ATOM 1290 O GLY A 82 5.196 3.506 6.952 1.00 0.00 O ATOM 0 H GLY A 82 3.678 -0.258 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.622 1.424 5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.778 2.497 7.026 1.00 0.00 H new ATOM 1294 N LEU A 83 5.669 1.665 8.159 1.00 0.00 N ATOM 1295 CA LEU A 83 6.962 2.161 8.608 1.00 0.00 C ATOM 1296 C LEU A 83 7.981 2.135 7.480 1.00 0.00 C ATOM 1297 O LEU A 83 8.086 1.151 6.743 1.00 0.00 O ATOM 1298 CB LEU A 83 7.494 1.317 9.767 1.00 0.00 C ATOM 1299 CG LEU A 83 8.853 1.762 10.310 1.00 0.00 C ATOM 1300 CD1 LEU A 83 8.702 2.981 11.206 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.539 0.624 11.047 1.00 0.00 C ATOM 0 H LEU A 83 5.428 0.738 8.509 1.00 0.00 H new ATOM 0 HA LEU A 83 6.815 3.189 8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.768 1.341 10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.571 0.280 9.439 1.00 0.00 H new ATOM 0 HG LEU A 83 9.483 2.042 9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.681 3.280 11.581 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.266 3.801 10.635 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.051 2.737 12.045 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.504 0.964 11.424 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.916 0.303 11.882 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.691 -0.212 10.365 1.00 0.00 H new ATOM 1313 N CYS A 84 8.722 3.221 7.347 1.00 0.00 N ATOM 1314 CA CYS A 84 9.855 3.258 6.445 1.00 0.00 C ATOM 1315 C CYS A 84 11.099 2.782 7.189 1.00 0.00 C ATOM 1316 O CYS A 84 11.295 3.126 8.353 1.00 0.00 O ATOM 1317 CB CYS A 84 10.065 4.672 5.911 1.00 0.00 C ATOM 1318 SG CYS A 84 8.608 5.386 5.116 1.00 0.00 S ATOM 0 H CYS A 84 8.557 4.090 7.855 1.00 0.00 H new ATOM 0 HA CYS A 84 9.664 2.601 5.597 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.369 5.318 6.734 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.887 4.660 5.195 1.00 0.00 H new ATOM 0 HG CYS A 84 8.388 4.779 3.988 1.00 0.00 H new ATOM 1324 N MET A 85 11.923 1.985 6.524 1.00 0.00 N ATOM 1325 CA MET A 85 13.097 1.384 7.156 1.00 0.00 C ATOM 1326 C MET A 85 14.051 2.441 7.726 1.00 0.00 C ATOM 1327 O MET A 85 14.175 2.583 8.941 1.00 0.00 O ATOM 1328 CB MET A 85 13.832 0.491 6.152 1.00 0.00 C ATOM 1329 CG MET A 85 14.836 -0.448 6.796 1.00 0.00 C ATOM 1330 SD MET A 85 15.597 -1.572 5.608 1.00 0.00 S ATOM 1331 CE MET A 85 16.485 -2.662 6.717 1.00 0.00 C ATOM 0 H MET A 85 11.802 1.736 5.542 1.00 0.00 H new ATOM 0 HA MET A 85 12.747 0.780 7.993 1.00 0.00 H new ATOM 0 HB2 MET A 85 13.100 -0.097 5.598 1.00 0.00 H new ATOM 0 HB3 MET A 85 14.349 1.121 5.428 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.614 0.138 7.285 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.338 -1.029 7.573 1.00 0.00 H new ATOM 0 HE1 MET A 85 17.013 -3.420 6.137 1.00 0.00 H new ATOM 0 HE2 MET A 85 17.204 -2.084 7.298 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.780 -3.147 7.392 1.00 0.00 H new ATOM 1341 N GLU A 86 14.728 3.173 6.850 1.00 0.00 N ATOM 1342 CA GLU A 86 15.674 4.206 7.281 1.00 0.00 C ATOM 1343 C GLU A 86 14.990 5.566 7.367 1.00 0.00 C ATOM 1344 O GLU A 86 15.465 6.484 8.039 1.00 0.00 O ATOM 1345 CB GLU A 86 16.859 4.263 6.314 1.00 0.00 C ATOM 1346 CG GLU A 86 17.777 3.058 6.423 1.00 0.00 C ATOM 1347 CD GLU A 86 18.755 2.947 5.273 1.00 0.00 C ATOM 1348 OE1 GLU A 86 19.222 3.989 4.766 1.00 0.00 O ATOM 1349 OE2 GLU A 86 19.067 1.808 4.871 1.00 0.00 O ATOM 0 H GLU A 86 14.643 3.074 5.838 1.00 0.00 H new ATOM 0 HA GLU A 86 16.040 3.949 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.484 4.335 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.434 5.169 6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.332 3.116 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.173 2.152 6.466 1.00 0.00 H new ATOM 1356 N ASP A 87 13.859 5.672 6.692 1.00 0.00 N ATOM 1357 CA ASP A 87 13.119 6.924 6.587 1.00 0.00 C ATOM 1358 C ASP A 87 12.039 7.022 7.657 1.00 0.00 C ATOM 1359 O ASP A 87 11.180 7.889 7.583 1.00 0.00 O ATOM 1360 CB ASP A 87 12.493 7.062 5.198 1.00 0.00 C ATOM 1361 CG ASP A 87 13.532 7.254 4.114 1.00 0.00 C ATOM 1362 OD1 ASP A 87 14.237 6.279 3.782 1.00 0.00 O ATOM 1363 OD2 ASP A 87 13.650 8.384 3.591 1.00 0.00 O ATOM 0 H ASP A 87 13.424 4.892 6.199 1.00 0.00 H new ATOM 0 HA ASP A 87 13.826 7.739 6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.903 6.172 4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.807 7.909 5.194 1.00 0.00 H new ATOM 1368 N GLU A 88 12.087 6.096 8.620 1.00 0.00 N ATOM 1369 CA GLU A 88 11.073 5.946 9.687 1.00 0.00 C ATOM 1370 C GLU A 88 10.444 7.264 10.164 1.00 0.00 C ATOM 1371 O GLU A 88 9.238 7.314 10.420 1.00 0.00 O ATOM 1372 CB GLU A 88 11.687 5.218 10.884 1.00 0.00 C ATOM 1373 CG GLU A 88 12.982 5.844 11.382 1.00 0.00 C ATOM 1374 CD GLU A 88 13.457 5.241 12.684 1.00 0.00 C ATOM 1375 OE1 GLU A 88 13.926 4.086 12.679 1.00 0.00 O ATOM 1376 OE2 GLU A 88 13.358 5.921 13.729 1.00 0.00 O ATOM 0 H GLU A 88 12.842 5.414 8.687 1.00 0.00 H new ATOM 0 HA GLU A 88 10.263 5.368 9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.964 5.204 11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.878 4.181 10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.756 5.719 10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.835 6.916 11.515 1.00 0.00 H new ATOM 1383 N GLN A 89 11.243 8.321 10.292 1.00 0.00 N ATOM 1384 CA GLN A 89 10.741 9.616 10.756 1.00 0.00 C ATOM 1385 C GLN A 89 9.640 10.157 9.838 1.00 0.00 C ATOM 1386 O GLN A 89 8.751 10.884 10.281 1.00 0.00 O ATOM 1387 CB GLN A 89 11.883 10.628 10.849 1.00 0.00 C ATOM 1388 CG GLN A 89 12.886 10.318 11.950 1.00 0.00 C ATOM 1389 CD GLN A 89 14.032 11.311 11.995 1.00 0.00 C ATOM 1390 OE1 GLN A 89 13.879 12.480 11.632 1.00 0.00 O ATOM 1391 NE2 GLN A 89 15.184 10.855 12.456 1.00 0.00 N ATOM 0 H GLN A 89 12.241 8.308 10.081 1.00 0.00 H new ATOM 0 HA GLN A 89 10.311 9.465 11.746 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.405 10.662 9.893 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.465 11.620 11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.374 10.317 12.912 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.285 9.315 11.800 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.268 9.881 12.746 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.989 11.478 12.522 1.00 0.00 H new ATOM 1400 N PHE A 90 9.698 9.781 8.570 1.00 0.00 N ATOM 1401 CA PHE A 90 8.740 10.244 7.575 1.00 0.00 C ATOM 1402 C PHE A 90 7.978 9.062 6.977 1.00 0.00 C ATOM 1403 O PHE A 90 7.745 9.011 5.771 1.00 0.00 O ATOM 1404 CB PHE A 90 9.469 11.009 6.463 1.00 0.00 C ATOM 1405 CG PHE A 90 10.248 12.198 6.953 1.00 0.00 C ATOM 1406 CD1 PHE A 90 9.610 13.400 7.213 1.00 0.00 C ATOM 1407 CD2 PHE A 90 11.616 12.112 7.154 1.00 0.00 C ATOM 1408 CE1 PHE A 90 10.322 14.494 7.664 1.00 0.00 C ATOM 1409 CE2 PHE A 90 12.335 13.203 7.605 1.00 0.00 C ATOM 1410 CZ PHE A 90 11.686 14.396 7.860 1.00 0.00 C ATOM 0 H PHE A 90 10.408 9.148 8.201 1.00 0.00 H new ATOM 0 HA PHE A 90 8.027 10.910 8.062 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.148 10.327 5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.739 11.344 5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.544 13.482 7.061 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.127 11.181 6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.813 15.425 7.863 1.00 0.00 H new ATOM 0 HE2 PHE A 90 13.401 13.123 7.758 1.00 0.00 H new ATOM 0 HZ PHE A 90 12.244 15.251 8.212 1.00 0.00 H new ATOM 1420 N SER A 91 7.592 8.117 7.830 1.00 0.00 N ATOM 1421 CA SER A 91 6.842 6.940 7.392 1.00 0.00 C ATOM 1422 C SER A 91 5.501 7.325 6.763 1.00 0.00 C ATOM 1423 O SER A 91 5.014 8.447 6.935 1.00 0.00 O ATOM 1424 CB SER A 91 6.622 5.985 8.566 1.00 0.00 C ATOM 1425 OG SER A 91 7.859 5.484 9.046 1.00 0.00 O ATOM 0 H SER A 91 7.786 8.142 8.831 1.00 0.00 H new ATOM 0 HA SER A 91 7.433 6.437 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.098 6.503 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.986 5.157 8.253 1.00 0.00 H new ATOM 0 HG SER A 91 8.246 6.122 9.682 1.00 0.00 H new ATOM 1431 N VAL A 92 4.904 6.382 6.043 1.00 0.00 N ATOM 1432 CA VAL A 92 3.678 6.647 5.306 1.00 0.00 C ATOM 1433 C VAL A 92 2.443 6.345 6.152 1.00 0.00 C ATOM 1434 O VAL A 92 2.544 5.791 7.249 1.00 0.00 O ATOM 1435 CB VAL A 92 3.620 5.836 3.993 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.774 6.219 3.078 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.636 4.342 4.270 1.00 0.00 C ATOM 0 H VAL A 92 5.251 5.427 5.955 1.00 0.00 H new ATOM 0 HA VAL A 92 3.682 7.709 5.059 1.00 0.00 H new ATOM 0 HB VAL A 92 2.682 6.076 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.717 5.638 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.713 7.281 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.720 6.013 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.594 3.797 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.551 4.080 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.774 4.076 4.881 1.00 0.00 H new ATOM 1447 N LYS A 93 1.281 6.708 5.630 1.00 0.00 N ATOM 1448 CA LYS A 93 0.028 6.546 6.350 1.00 0.00 C ATOM 1449 C LYS A 93 -0.629 5.216 5.993 1.00 0.00 C ATOM 1450 O LYS A 93 -0.689 4.840 4.822 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.911 7.711 6.021 1.00 0.00 C ATOM 1452 CG LYS A 93 -2.262 7.639 6.713 1.00 0.00 C ATOM 1453 CD LYS A 93 -3.102 8.867 6.400 1.00 0.00 C ATOM 1454 CE LYS A 93 -4.494 8.768 7.000 1.00 0.00 C ATOM 1455 NZ LYS A 93 -5.289 10.000 6.750 1.00 0.00 N ATOM 0 H LYS A 93 1.180 7.120 4.702 1.00 0.00 H new ATOM 0 HA LYS A 93 0.234 6.546 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.423 8.645 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.069 7.742 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.791 6.741 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.119 7.557 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.603 9.756 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.180 8.988 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.013 7.908 6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.416 8.596 8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.233 9.896 7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.806 10.817 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.384 10.150 5.725 1.00 0.00 H new ATOM 1469 N HIS A 94 -1.112 4.511 7.007 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.788 3.238 6.803 1.00 0.00 C ATOM 1471 C HIS A 94 -3.296 3.451 6.741 1.00 0.00 C ATOM 1472 O HIS A 94 -3.904 3.930 7.697 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.445 2.259 7.936 1.00 0.00 C ATOM 1474 CG HIS A 94 -2.162 0.940 7.848 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -3.429 0.732 8.358 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.781 -0.242 7.307 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -3.792 -0.515 8.135 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -2.813 -1.128 7.499 1.00 0.00 N ATOM 0 H HIS A 94 -1.048 4.801 7.983 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.448 2.813 5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.370 2.077 7.931 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.684 2.727 8.891 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.995 1.435 8.833 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.841 -0.449 6.816 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.733 -0.960 8.424 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.888 3.093 5.617 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.324 3.202 5.448 1.00 0.00 C ATOM 1489 C TYR A 95 -5.979 1.868 5.770 1.00 0.00 C ATOM 1490 O TYR A 95 -5.396 0.808 5.531 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.667 3.638 4.022 1.00 0.00 C ATOM 1492 CG TYR A 95 -5.076 4.979 3.646 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -5.776 6.153 3.887 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -3.823 5.072 3.054 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -5.244 7.381 3.551 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -3.283 6.298 2.716 1.00 0.00 C ATOM 1497 CZ TYR A 95 -4.000 7.450 2.966 1.00 0.00 C ATOM 1498 OH TYR A 95 -3.469 8.675 2.631 1.00 0.00 O ATOM 0 H TYR A 95 -3.394 2.723 4.805 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.705 3.960 6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.309 2.882 3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.751 3.684 3.915 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.753 6.105 4.345 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.262 4.171 2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.802 8.285 3.746 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.306 6.354 2.259 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.584 8.549 2.229 1.00 0.00 H new ATOM 1508 N GLU A 96 -7.178 1.922 6.322 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.877 0.716 6.727 1.00 0.00 C ATOM 1510 C GLU A 96 -8.540 0.075 5.516 1.00 0.00 C ATOM 1511 O GLU A 96 -9.528 0.591 4.993 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.910 1.049 7.801 1.00 0.00 C ATOM 1513 CG GLU A 96 -8.336 1.856 8.961 1.00 0.00 C ATOM 1514 CD GLU A 96 -7.182 1.160 9.661 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -7.438 0.230 10.452 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -6.014 1.555 9.438 1.00 0.00 O ATOM 0 H GLU A 96 -7.688 2.788 6.500 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.164 0.006 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.728 1.609 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.334 0.122 8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.997 2.823 8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.127 2.052 9.685 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.982 -1.036 5.065 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.433 -1.675 3.839 1.00 0.00 C ATOM 1525 C ALA A 97 -8.991 -3.064 4.105 1.00 0.00 C ATOM 1526 O ALA A 97 -8.481 -3.795 4.955 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.285 -1.757 2.844 1.00 0.00 C ATOM 0 H ALA A 97 -7.213 -1.516 5.532 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.235 -1.068 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.631 -2.237 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.929 -0.752 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.471 -2.341 3.275 1.00 0.00 H new ATOM 1533 N ARG A 98 -10.040 -3.417 3.373 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.625 -4.749 3.447 1.00 0.00 C ATOM 1535 C ARG A 98 -11.254 -5.117 2.111 1.00 0.00 C ATOM 1536 O ARG A 98 -11.519 -4.245 1.281 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.697 -4.826 4.539 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.870 -3.888 4.309 1.00 0.00 C ATOM 1539 CD ARG A 98 -14.089 -4.312 5.111 1.00 0.00 C ATOM 1540 NE ARG A 98 -14.711 -5.525 4.571 1.00 0.00 N ATOM 1541 CZ ARG A 98 -15.152 -6.536 5.324 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -14.986 -6.508 6.641 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -15.744 -7.581 4.756 1.00 0.00 N ATOM 0 H ARG A 98 -10.507 -2.792 2.715 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.825 -5.449 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.068 -5.849 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.241 -4.594 5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.585 -2.873 4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.120 -3.870 3.248 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.798 -4.485 6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.819 -3.502 5.116 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.813 -5.601 3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.521 -5.713 7.080 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.324 -7.281 7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.862 -7.612 3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.080 -8.352 5.333 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.491 -6.401 1.909 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.188 -6.867 0.725 1.00 0.00 C ATOM 1559 C VAL A 99 -13.657 -7.101 1.057 1.00 0.00 C ATOM 1560 O VAL A 99 -13.988 -7.949 1.887 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.565 -8.169 0.173 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.248 -8.592 -1.118 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.069 -7.993 -0.043 1.00 0.00 C ATOM 0 H VAL A 99 -11.210 -7.141 2.552 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.097 -6.100 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.717 -8.959 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.792 -9.511 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.308 -8.763 -0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.135 -7.806 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.646 -8.919 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.897 -7.188 -0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.591 -7.746 0.905 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.530 -6.327 0.432 1.00 0.00 N ATOM 1574 CA LYS A 100 -15.962 -6.440 0.668 1.00 0.00 C ATOM 1575 C LYS A 100 -16.669 -6.906 -0.589 1.00 0.00 C ATOM 1576 O LYS A 100 -16.687 -6.188 -1.585 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.555 -5.100 1.090 1.00 0.00 C ATOM 1578 CG LYS A 100 -17.994 -5.211 1.564 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.578 -3.861 1.930 1.00 0.00 C ATOM 1580 CE LYS A 100 -20.064 -3.968 2.233 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.843 -4.472 1.067 1.00 0.00 N ATOM 0 H LYS A 100 -14.271 -5.610 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.106 -7.166 1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.947 -4.675 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.507 -4.407 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.599 -5.667 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.041 -5.873 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.055 -3.459 2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.421 -3.160 1.110 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.212 -4.635 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.444 -2.989 2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.859 -4.338 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.568 -3.946 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.646 -5.484 0.929 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.226 -8.112 -0.546 1.00 0.00 N ATOM 1596 CA ASP A 101 -17.976 -8.665 -1.679 1.00 0.00 C ATOM 1597 C ASP A 101 -17.065 -8.880 -2.880 1.00 0.00 C ATOM 1598 O ASP A 101 -17.531 -9.138 -3.990 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.135 -7.737 -2.079 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.258 -7.701 -1.062 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -20.217 -6.855 -0.141 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -21.203 -8.505 -1.198 1.00 0.00 O ATOM 0 H ASP A 101 -17.174 -8.731 0.263 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.383 -9.625 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -18.750 -6.727 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.535 -8.062 -3.039 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.763 -8.797 -2.649 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.809 -8.876 -3.732 1.00 0.00 C ATOM 1609 C GLY A 102 -14.352 -7.503 -4.190 1.00 0.00 C ATOM 1610 O GLY A 102 -13.616 -7.382 -5.165 1.00 0.00 O ATOM 0 H GLY A 102 -15.350 -8.676 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.944 -9.457 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.257 -9.407 -4.572 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.787 -6.466 -3.481 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.427 -5.093 -3.817 1.00 0.00 C ATOM 1616 C VAL A 103 -13.523 -4.513 -2.731 1.00 0.00 C ATOM 1617 O VAL A 103 -13.779 -4.701 -1.541 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.686 -4.206 -3.965 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.318 -2.794 -4.394 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.666 -4.825 -4.953 1.00 0.00 C ATOM 0 H VAL A 103 -15.393 -6.552 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.899 -5.106 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.168 -4.146 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.224 -2.195 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.663 -2.346 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.803 -2.828 -5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.544 -4.186 -5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.187 -4.923 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -16.969 -5.810 -4.597 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.459 -3.838 -3.139 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.512 -3.256 -2.193 1.00 0.00 C ATOM 1632 C VAL A 104 -12.055 -1.963 -1.594 1.00 0.00 C ATOM 1633 O VAL A 104 -12.344 -1.005 -2.316 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.151 -2.968 -2.860 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.127 -2.521 -1.826 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.662 -4.196 -3.612 1.00 0.00 C ATOM 0 H VAL A 104 -12.227 -3.678 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.370 -3.990 -1.399 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.281 -2.156 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.175 -2.323 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.477 -1.613 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.994 -3.307 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.701 -3.979 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.548 -5.027 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.386 -4.463 -4.382 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.187 -1.946 -0.273 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.691 -0.778 0.439 1.00 0.00 C ATOM 1648 C GLN A 105 -11.562 -0.107 1.215 1.00 0.00 C ATOM 1649 O GLN A 105 -10.797 -0.784 1.904 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.788 -1.187 1.427 1.00 0.00 C ATOM 1651 CG GLN A 105 -14.839 -2.133 0.864 1.00 0.00 C ATOM 1652 CD GLN A 105 -15.722 -1.495 -0.187 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -15.436 -1.560 -1.377 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -16.802 -0.870 0.249 1.00 0.00 N ATOM 0 H GLN A 105 -11.950 -2.734 0.330 1.00 0.00 H new ATOM 0 HA GLN A 105 -13.099 -0.084 -0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.321 -1.660 2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.286 -0.287 1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -14.341 -3.001 0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.463 -2.497 1.680 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.005 -0.839 1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -17.433 -0.419 -0.414 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.462 1.211 1.109 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.473 1.967 1.866 1.00 0.00 C ATOM 1665 C LEU A 106 -11.151 2.936 2.827 1.00 0.00 C ATOM 1666 O LEU A 106 -11.811 3.881 2.394 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.555 2.762 0.932 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.746 1.942 -0.072 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.811 2.848 -0.855 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.961 0.851 0.632 1.00 0.00 C ATOM 0 H LEU A 106 -12.055 1.780 0.505 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.880 1.248 2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.164 3.477 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.861 3.339 1.543 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.438 1.467 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.240 2.253 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.394 3.596 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.127 3.346 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.393 0.280 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.276 1.301 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.649 0.187 1.154 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.992 2.705 4.125 1.00 0.00 N ATOM 1683 CA ARG A 107 -11.496 3.637 5.125 1.00 0.00 C ATOM 1684 C ARG A 107 -10.380 4.570 5.576 1.00 0.00 C ATOM 1685 O ARG A 107 -9.434 4.150 6.247 1.00 0.00 O ATOM 1686 CB ARG A 107 -12.093 2.906 6.336 1.00 0.00 C ATOM 1687 CG ARG A 107 -12.657 3.849 7.388 1.00 0.00 C ATOM 1688 CD ARG A 107 -13.235 3.099 8.578 1.00 0.00 C ATOM 1689 NE ARG A 107 -12.203 2.429 9.369 1.00 0.00 N ATOM 1690 CZ ARG A 107 -11.834 2.815 10.595 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -12.406 3.868 11.169 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -10.902 2.139 11.253 1.00 0.00 N ATOM 0 H ARG A 107 -10.521 1.885 4.508 1.00 0.00 H new ATOM 0 HA ARG A 107 -12.294 4.219 4.664 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.884 2.238 5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -11.323 2.283 6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.870 4.521 7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -13.433 4.469 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.781 3.797 9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.954 2.361 8.224 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.737 1.619 8.961 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -13.131 4.387 10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -12.120 4.157 12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.465 1.323 10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.622 2.435 12.188 1.00 0.00 H new ATOM 1706 N GLY A 108 -10.487 5.827 5.180 1.00 0.00 N ATOM 1707 CA GLY A 108 -9.501 6.813 5.563 1.00 0.00 C ATOM 1708 C GLY A 108 -10.135 8.116 5.980 1.00 0.00 C ATOM 1709 O GLY A 108 -10.124 8.480 7.155 1.00 0.00 O ATOM 0 H GLY A 108 -11.244 6.184 4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.900 6.424 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.823 6.991 4.728 1.00 0.00 H new